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srDFT_G2/G09/Large_core/Molecules/vqz/C2H6.out
Pierre-Francois Loos de88456a86 LC VQZ G2
2019-04-01 09:40:22 +02:00

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Entering Gaussian System, Link 0=g09
Input=C2H6.inp
Output=C2H6.out
Initial command:
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42176/Gau-42747.inp" -scrdir="/mnt/beegfs/tmpdir/42176/"
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 42748.
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
29-Mar-2019
******************************************
-------------------------------------
#p ROCCSD(T) cc-pVQZ pop=full gfprint
-------------------------------------
1/38=1/1;
2/12=2,17=6,18=5,40=1/2;
3/5=16,6=2,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
4//1;
5/5=2,38=5/2;
8/5=-1,6=4,9=120000,10=1/1,4;
9/5=7,14=2/13;
6/7=3/1;
99/5=1,9=1/99;
Leave Link 1 at Fri Mar 29 17:04:16 2019, MaxMem= 0 cpu: 0.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
--
G2
--
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
C
C 1 AA
H 1 AH 2 HAA
H 1 AH 2 HAA 3 120. 0
H 1 AH 2 HAA 3 -120. 0
H 2 AH 1 HAA 3 180. 0
H 2 AH 1 HAA 6 120. 0
H 2 AH 1 HAA 6 -120. 0
Variables:
AA 1.53004
AH 1.09485
HAA 111.37414
NAtoms= 8 NQM= 8 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 5 6 7 8
IAtWgt= 12 12 1 1 1 1 1 1
AtmWgt= 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250
NucSpn= 0 0 1 1 1 1 1 1
AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
NMagM= 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460
AtZNuc= 6.0000000 6.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000
Leave Link 101 at Fri Mar 29 17:04:16 2019, MaxMem= 33554432 cpu: 0.1
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe)
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.000000 0.000000 0.000000
2 6 0 0.000000 0.000000 1.530036
3 1 0 1.019544 0.000000 -0.399024
4 1 0 -0.509772 -0.882951 -0.399024
5 1 0 -0.509772 0.882951 -0.399024
6 1 0 -1.019544 0.000000 1.929061
7 1 0 0.509772 -0.882951 1.929061
8 1 0 0.509772 0.882951 1.929061
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4 5
1 C 0.000000
2 C 1.530036 0.000000
3 H 1.094847 2.181913 0.000000
4 H 1.094847 2.181913 1.765902 0.000000
5 H 1.094847 2.181913 1.765902 1.765902 0.000000
6 H 2.181913 1.094847 3.094812 2.541545 2.541545
7 H 2.181913 1.094847 2.541545 2.541545 3.094812
8 H 2.181913 1.094847 2.541545 3.094812 2.541545
6 7 8
6 H 0.000000
7 H 1.765902 0.000000
8 H 1.765902 1.765902 0.000000
Stoichiometry C2H6
Framework group D3D[C3(C.C),3SGD(H2)]
Deg. of freedom 3
Full point group D3D NOp 12
Largest Abelian subgroup C2H NOp 4
Largest concise Abelian subgroup C2H NOp 4
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.000000 0.000000 0.765018
2 6 0 0.000000 0.000000 -0.765018
3 1 0 0.000000 1.019544 1.164042
4 1 0 -0.882951 -0.509772 1.164042
5 1 0 0.882951 -0.509772 1.164042
6 1 0 0.000000 -1.019544 -1.164042
7 1 0 -0.882951 0.509772 -1.164042
8 1 0 0.882951 0.509772 -1.164042
---------------------------------------------------------------------
Rotational constants (GHZ): 80.4023464 19.9105564 19.9105564
Leave Link 202 at Fri Mar 29 17:04:16 2019, MaxMem= 33554432 cpu: 0.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
Standard basis: CC-pVQZ (5D, 7F)
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
Ernie: 6 primitive shells out of 138 were deleted.
AO basis set (Overlap normalization):
Atom C1 Shell 1 S 8 bf 1 - 1 0.000000000000 0.000000000000 1.445674818533
0.3398000000D+05 0.1468124114D-03
0.5089000000D+04 0.1116460016D-02
0.1157000000D+04 0.5890887108D-02
0.3266000000D+03 0.2421725547D-01
0.1061000000D+03 0.8317163879D-01
0.3811000000D+02 0.2205684777D+00
0.1475000000D+02 0.4287314969D+00
0.6035000000D+01 0.3643614225D+00
Atom C1 Shell 2 S 7 bf 2 - 2 0.000000000000 0.000000000000 1.445674818533
0.5089000000D+04 -0.1002265364D-04
0.3266000000D+03 -0.4365894368D-03
0.1061000000D+03 -0.1932312730D-02
0.3811000000D+02 -0.2148394772D-01
0.1475000000D+02 -0.9030916566D-01
0.6035000000D+01 -0.4187915117D+00
0.2530000000D+01 -0.5318019058D+00
Atom C1 Shell 3 S 1 bf 3 - 3 0.000000000000 0.000000000000 1.445674818533
0.7355000000D+00 0.1000000000D+01
Atom C1 Shell 4 S 1 bf 4 - 4 0.000000000000 0.000000000000 1.445674818533
0.2905000000D+00 0.1000000000D+01
Atom C1 Shell 5 S 1 bf 5 - 5 0.000000000000 0.000000000000 1.445674818533
0.1111000000D+00 0.1000000000D+01
Atom C1 Shell 6 P 3 bf 6 - 8 0.000000000000 0.000000000000 1.445674818533
0.3451000000D+02 0.3168785521D-01
0.7915000000D+01 0.2128943073D+00
0.2368000000D+01 0.8395867520D+00
Atom C1 Shell 7 P 1 bf 9 - 11 0.000000000000 0.000000000000 1.445674818533
0.8132000000D+00 0.1000000000D+01
Atom C1 Shell 8 P 1 bf 12 - 14 0.000000000000 0.000000000000 1.445674818533
0.2890000000D+00 0.1000000000D+01
Atom C1 Shell 9 P 1 bf 15 - 17 0.000000000000 0.000000000000 1.445674818533
0.1007000000D+00 0.1000000000D+01
Atom C1 Shell 10 D 1 bf 18 - 22 0.000000000000 0.000000000000 1.445674818533
0.1848000000D+01 0.1000000000D+01
Atom C1 Shell 11 D 1 bf 23 - 27 0.000000000000 0.000000000000 1.445674818533
0.6490000000D+00 0.1000000000D+01
Atom C1 Shell 12 D 1 bf 28 - 32 0.000000000000 0.000000000000 1.445674818533
0.2280000000D+00 0.1000000000D+01
Atom C1 Shell 13 F 1 bf 33 - 39 0.000000000000 0.000000000000 1.445674818533
0.1419000000D+01 0.1000000000D+01
Atom C1 Shell 14 F 1 bf 40 - 46 0.000000000000 0.000000000000 1.445674818533
0.4850000000D+00 0.1000000000D+01
Atom C1 Shell 15 G 1 bf 47 - 55 0.000000000000 0.000000000000 1.445674818533
0.1011000000D+01 0.1000000000D+01
Atom C2 Shell 16 S 8 bf 56 - 56 0.000000000000 0.000000000000 -1.445674818533
0.3398000000D+05 0.1468124114D-03
0.5089000000D+04 0.1116460016D-02
0.1157000000D+04 0.5890887108D-02
0.3266000000D+03 0.2421725547D-01
0.1061000000D+03 0.8317163879D-01
0.3811000000D+02 0.2205684777D+00
0.1475000000D+02 0.4287314969D+00
0.6035000000D+01 0.3643614225D+00
Atom C2 Shell 17 S 7 bf 57 - 57 0.000000000000 0.000000000000 -1.445674818533
0.5089000000D+04 -0.1002265364D-04
0.3266000000D+03 -0.4365894368D-03
0.1061000000D+03 -0.1932312730D-02
0.3811000000D+02 -0.2148394772D-01
0.1475000000D+02 -0.9030916566D-01
0.6035000000D+01 -0.4187915117D+00
0.2530000000D+01 -0.5318019058D+00
Atom C2 Shell 18 S 1 bf 58 - 58 0.000000000000 0.000000000000 -1.445674818533
0.7355000000D+00 0.1000000000D+01
Atom C2 Shell 19 S 1 bf 59 - 59 0.000000000000 0.000000000000 -1.445674818533
0.2905000000D+00 0.1000000000D+01
Atom C2 Shell 20 S 1 bf 60 - 60 0.000000000000 0.000000000000 -1.445674818533
0.1111000000D+00 0.1000000000D+01
Atom C2 Shell 21 P 3 bf 61 - 63 0.000000000000 0.000000000000 -1.445674818533
0.3451000000D+02 0.3168785521D-01
0.7915000000D+01 0.2128943073D+00
0.2368000000D+01 0.8395867520D+00
Atom C2 Shell 22 P 1 bf 64 - 66 0.000000000000 0.000000000000 -1.445674818533
0.8132000000D+00 0.1000000000D+01
Atom C2 Shell 23 P 1 bf 67 - 69 0.000000000000 0.000000000000 -1.445674818533
0.2890000000D+00 0.1000000000D+01
Atom C2 Shell 24 P 1 bf 70 - 72 0.000000000000 0.000000000000 -1.445674818533
0.1007000000D+00 0.1000000000D+01
Atom C2 Shell 25 D 1 bf 73 - 77 0.000000000000 0.000000000000 -1.445674818533
0.1848000000D+01 0.1000000000D+01
Atom C2 Shell 26 D 1 bf 78 - 82 0.000000000000 0.000000000000 -1.445674818533
0.6490000000D+00 0.1000000000D+01
Atom C2 Shell 27 D 1 bf 83 - 87 0.000000000000 0.000000000000 -1.445674818533
0.2280000000D+00 0.1000000000D+01
Atom C2 Shell 28 F 1 bf 88 - 94 0.000000000000 0.000000000000 -1.445674818533
0.1419000000D+01 0.1000000000D+01
Atom C2 Shell 29 F 1 bf 95 - 101 0.000000000000 0.000000000000 -1.445674818533
0.4850000000D+00 0.1000000000D+01
Atom C2 Shell 30 G 1 bf 102 - 110 0.000000000000 0.000000000000 -1.445674818533
0.1011000000D+01 0.1000000000D+01
Atom H3 Shell 31 S 3 bf 111 - 111 0.000000000000 1.926659236075 2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H3 Shell 32 S 1 bf 112 - 112 0.000000000000 1.926659236075 2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H3 Shell 33 S 1 bf 113 - 113 0.000000000000 1.926659236075 2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H3 Shell 34 S 1 bf 114 - 114 0.000000000000 1.926659236075 2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H3 Shell 35 P 1 bf 115 - 117 0.000000000000 1.926659236075 2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H3 Shell 36 P 1 bf 118 - 120 0.000000000000 1.926659236075 2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H3 Shell 37 P 1 bf 121 - 123 0.000000000000 1.926659236075 2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H3 Shell 38 D 1 bf 124 - 128 0.000000000000 1.926659236075 2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H3 Shell 39 D 1 bf 129 - 133 0.000000000000 1.926659236075 2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H3 Shell 40 F 1 bf 134 - 140 0.000000000000 1.926659236075 2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H4 Shell 41 S 3 bf 141 - 141 -1.668535842877 -0.963329618038 2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H4 Shell 42 S 1 bf 142 - 142 -1.668535842877 -0.963329618038 2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H4 Shell 43 S 1 bf 143 - 143 -1.668535842877 -0.963329618038 2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H4 Shell 44 S 1 bf 144 - 144 -1.668535842877 -0.963329618038 2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H4 Shell 45 P 1 bf 145 - 147 -1.668535842877 -0.963329618038 2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H4 Shell 46 P 1 bf 148 - 150 -1.668535842877 -0.963329618038 2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H4 Shell 47 P 1 bf 151 - 153 -1.668535842877 -0.963329618038 2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H4 Shell 48 D 1 bf 154 - 158 -1.668535842877 -0.963329618038 2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H4 Shell 49 D 1 bf 159 - 163 -1.668535842877 -0.963329618038 2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H4 Shell 50 F 1 bf 164 - 170 -1.668535842877 -0.963329618038 2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H5 Shell 51 S 3 bf 171 - 171 1.668535842877 -0.963329618038 2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H5 Shell 52 S 1 bf 172 - 172 1.668535842877 -0.963329618038 2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H5 Shell 53 S 1 bf 173 - 173 1.668535842877 -0.963329618038 2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H5 Shell 54 S 1 bf 174 - 174 1.668535842877 -0.963329618038 2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H5 Shell 55 P 1 bf 175 - 177 1.668535842877 -0.963329618038 2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H5 Shell 56 P 1 bf 178 - 180 1.668535842877 -0.963329618038 2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H5 Shell 57 P 1 bf 181 - 183 1.668535842877 -0.963329618038 2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H5 Shell 58 D 1 bf 184 - 188 1.668535842877 -0.963329618038 2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H5 Shell 59 D 1 bf 189 - 193 1.668535842877 -0.963329618038 2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H5 Shell 60 F 1 bf 194 - 200 1.668535842877 -0.963329618038 2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H6 Shell 61 S 3 bf 201 - 201 0.000000000000 -1.926659236075 -2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H6 Shell 62 S 1 bf 202 - 202 0.000000000000 -1.926659236075 -2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H6 Shell 63 S 1 bf 203 - 203 0.000000000000 -1.926659236075 -2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H6 Shell 64 S 1 bf 204 - 204 0.000000000000 -1.926659236075 -2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H6 Shell 65 P 1 bf 205 - 207 0.000000000000 -1.926659236075 -2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H6 Shell 66 P 1 bf 208 - 210 0.000000000000 -1.926659236075 -2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H6 Shell 67 P 1 bf 211 - 213 0.000000000000 -1.926659236075 -2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H6 Shell 68 D 1 bf 214 - 218 0.000000000000 -1.926659236075 -2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H6 Shell 69 D 1 bf 219 - 223 0.000000000000 -1.926659236075 -2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H6 Shell 70 F 1 bf 224 - 230 0.000000000000 -1.926659236075 -2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H7 Shell 71 S 3 bf 231 - 231 -1.668535842877 0.963329618038 -2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H7 Shell 72 S 1 bf 232 - 232 -1.668535842877 0.963329618038 -2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H7 Shell 73 S 1 bf 233 - 233 -1.668535842877 0.963329618038 -2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H7 Shell 74 S 1 bf 234 - 234 -1.668535842877 0.963329618038 -2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H7 Shell 75 P 1 bf 235 - 237 -1.668535842877 0.963329618038 -2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H7 Shell 76 P 1 bf 238 - 240 -1.668535842877 0.963329618038 -2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H7 Shell 77 P 1 bf 241 - 243 -1.668535842877 0.963329618038 -2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H7 Shell 78 D 1 bf 244 - 248 -1.668535842877 0.963329618038 -2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H7 Shell 79 D 1 bf 249 - 253 -1.668535842877 0.963329618038 -2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H7 Shell 80 F 1 bf 254 - 260 -1.668535842877 0.963329618038 -2.199721355249
0.1397000000D+01 0.1000000000D+01
Atom H8 Shell 81 S 3 bf 261 - 261 1.668535842877 0.963329618038 -2.199721355249
0.8264000000D+02 0.2295075779D-01
0.1241000000D+02 0.1755401181D+00
0.2824000000D+01 0.8647035510D+00
Atom H8 Shell 82 S 1 bf 262 - 262 1.668535842877 0.963329618038 -2.199721355249
0.7977000000D+00 0.1000000000D+01
Atom H8 Shell 83 S 1 bf 263 - 263 1.668535842877 0.963329618038 -2.199721355249
0.2581000000D+00 0.1000000000D+01
Atom H8 Shell 84 S 1 bf 264 - 264 1.668535842877 0.963329618038 -2.199721355249
0.8989000000D-01 0.1000000000D+01
Atom H8 Shell 85 P 1 bf 265 - 267 1.668535842877 0.963329618038 -2.199721355249
0.2292000000D+01 0.1000000000D+01
Atom H8 Shell 86 P 1 bf 268 - 270 1.668535842877 0.963329618038 -2.199721355249
0.8380000000D+00 0.1000000000D+01
Atom H8 Shell 87 P 1 bf 271 - 273 1.668535842877 0.963329618038 -2.199721355249
0.2920000000D+00 0.1000000000D+01
Atom H8 Shell 88 D 1 bf 274 - 278 1.668535842877 0.963329618038 -2.199721355249
0.2062000000D+01 0.1000000000D+01
Atom H8 Shell 89 D 1 bf 279 - 283 1.668535842877 0.963329618038 -2.199721355249
0.6620000000D+00 0.1000000000D+01
Atom H8 Shell 90 F 1 bf 284 - 290 1.668535842877 0.963329618038 -2.199721355249
0.1397000000D+01 0.1000000000D+01
There are 105 symmetry adapted cartesian basis functions of AG symmetry.
There are 70 symmetry adapted cartesian basis functions of BG symmetry.
There are 70 symmetry adapted cartesian basis functions of AU symmetry.
There are 105 symmetry adapted cartesian basis functions of BU symmetry.
There are 85 symmetry adapted basis functions of AG symmetry.
There are 60 symmetry adapted basis functions of BG symmetry.
There are 60 symmetry adapted basis functions of AU symmetry.
There are 85 symmetry adapted basis functions of BU symmetry.
290 basis functions, 400 primitive gaussians, 350 cartesian basis functions
9 alpha electrons 9 beta electrons
nuclear repulsion energy 42.1422241030 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= 8 NActive= 8 NUniq= 2 SFac= 4.00D+00 NAtFMM= 60 NAOKFM=F Big=F
Integral buffers will be 131072 words long.
Raffenetti 2 integral format.
Two-electron integral symmetry is turned on.
Leave Link 301 at Fri Mar 29 17:04:17 2019, MaxMem= 33554432 cpu: 0.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l302.exe)
NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1
NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.
One-electron integrals computed using PRISM.
One-electron integral symmetry used in STVInt
NBasis= 290 RedAO= T EigKep= 1.25D-04 NBF= 85 60 60 85
NBsUse= 290 1.00D-06 EigRej= -1.00D+00 NBFU= 85 60 60 85
Leave Link 302 at Fri Mar 29 17:04:17 2019, MaxMem= 33554432 cpu: 0.3
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
DipDrv: MaxL=1.
Leave Link 303 at Fri Mar 29 17:04:17 2019, MaxMem= 33554432 cpu: 0.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
ExpMin= 8.99D-02 ExpMax= 3.40D+04 ExpMxC= 3.27D+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= -79.5506718477925
JPrj=0 DoOrth=F DoCkMO=F.
Initial guess orbital symmetries:
Occupied (A1G) (A2U) (A1G) (A2U) (EU) (EU) (A1G) (EG) (EG)
Virtual (A1G) (A2U) (EU) (EU) (EG) (EG) (A2U) (A1G) (EU)
(EU) (EG) (EG) (A2U) (A1G) (EU) (EU) (EG) (EG)
(A2U) (EU) (EU) (A1G) (A2U) (EG) (EG) (A1U) (A1G)
(EG) (EG) (A2G) (EU) (EU) (A2U) (EG) (EG) (A1G)
(A2U) (EU) (EU) (EU) (EU) (A1G) (A2U) (EG) (EG)
(EU) (EU) (EG) (EG) (A1G) (EG) (EG) (EU) (EU)
(A2U) (A1G) (EU) (EU) (A2U) (A1U) (A1G) (EG) (EG)
(EG) (EG) (EU) (EU) (EG) (EG) (A2G) (A2U) (EU)
(EU) (EU) (EU) (A1U) (A2U) (A1G) (EG) (EG) (A2G)
(EU) (EU) (EG) (EG) (A1G) (A2U) (EU) (EU) (EG)
(EG) (EU) (EU) (A2U) (EG) (EG) (A1G) (EG) (EG)
(A1G) (A1U) (EU) (EU) (A2G) (A2U) (A1U) (EG) (EG)
(A2U) (EU) (EU) (A1G) (EG) (EG) (EU) (EU) (A1G)
(A2U) (EG) (EG) (A1G) (EU) (EU) (EG) (EG) (EU)
(EU) (A2U) (A1G) (A2G) (EG) (EG) (EU) (EU) (A2U)
(EG) (EG) (EU) (EU) (A1G) (EG) (EG) (A1U) (A2U)
(EU) (EU) (A2G) (A1G) (EU) (EU) (EG) (EG) (A2U)
(EU) (EU) (EG) (EG) (A2G) (A1U) (A2U) (EU) (EU)
(EG) (EG) (A1U) (EU) (EU) (A2U) (EG) (EG) (A1G)
(EG) (EG) (A2G) (A1G) (A1G) (A2U) (EG) (EG) (EU)
(EU) (EU) (EU) (EU) (EU) (A1G) (A1U) (EG) (EG)
(EU) (EU) (A2U) (EG) (EG) (A1G) (A2G) (EU) (EU)
(EU) (EU) (A1U) (EG) (EG) (A2U) (A1G) (EG) (EG)
(EG) (EG) (A1G) (EG) (EG) (EU) (EU) (A2U) (EU)
(EU) (A2G) (A2U) (EG) (EG) (A1G) (EU) (EU) (EU)
(EU) (A2U) (A1G) (A1U) (EG) (EG) (A2G) (A2U) (EG)
(EG) (EU) (EU) (A1G) (EU) (EU) (EG) (EG) (A2U)
(A1U) (EG) (EG) (A1G) (A2U) (EG) (EG) (EU) (EU)
(A2G) (EU) (EU) (EG) (EG) (A2U) (EU) (EU) (A1G)
(EG) (EG) (EU) (EU) (A2U) (A1G) (EG) (EG) (A1U)
(EU) (EU) (A2G) (A2U) (A1G) (EU) (EU) (EG) (EG)
(A2U) (A1G)
The electronic state of the initial guess is 1-A1G.
Leave Link 401 at Fri Mar 29 17:04:18 2019, MaxMem= 33554432 cpu: 0.6
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe)
Restricted open shell SCF:
Using DIIS extrapolation, IDIIS= 1040.
Integral symmetry usage will be decided dynamically.
IVT= 392518 IEndB= 392518 NGot= 33554432 MDV= 33301405
LenX= 33301405 LenY= 33178464
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.
Fock matrices will be formed incrementally for 20 cycles.
Integral accuracy reduced to 1.0D-05 until final iterations.
Cycle 1 Pass 0 IDiag 1:
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
IRaf= 990000000 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.
E= -79.0617005009447
DIIS: error= 4.69D-02 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -79.0617005009447 IErMin= 1 ErrMin= 4.69D-02
ErrMax= 4.69D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-01 BMatP= 2.86D-01
IDIUse=3 WtCom= 5.31D-01 WtEn= 4.69D-01
Coeff-Com: 0.100D+01
Coeff-En: 0.100D+01
Coeff: 0.100D+01
Gap= 0.536 Goal= None Shift= 0.000
GapD= 0.536 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
RMSDP=1.07D-03 MaxDP=3.68D-02 OVMax= 1.43D-01
Cycle 2 Pass 0 IDiag 1:
RMSU= 1.03D-03 CP: 9.36D-01
E= -79.2256849128070 Delta-E= -0.163984411862 Rises=F Damp=F
DIIS: error= 2.25D-02 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -79.2256849128070 IErMin= 2 ErrMin= 2.25D-02
ErrMax= 2.25D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-02 BMatP= 2.86D-01
IDIUse=3 WtCom= 7.75D-01 WtEn= 2.25D-01
Coeff-Com: 0.228D+00 0.772D+00
Coeff-En: 0.000D+00 0.100D+01
Coeff: 0.177D+00 0.823D+00
Gap= 0.615 Goal= None Shift= 0.000
RMSDP=4.02D-04 MaxDP=1.71D-02 DE=-1.64D-01 OVMax= 6.71D-02
Cycle 3 Pass 0 IDiag 1:
RMSU= 2.27D-04 CP: 9.64D-01 6.98D-01
E= -79.2626539985549 Delta-E= -0.036969085748 Rises=F Damp=F
DIIS: error= 4.95D-03 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -79.2626539985549 IErMin= 3 ErrMin= 4.95D-03
ErrMax= 4.95D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-03 BMatP= 4.14D-02
IDIUse=3 WtCom= 9.50D-01 WtEn= 4.95D-02
Coeff-Com: -0.273D-01 0.133D+00 0.894D+00
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.259D-01 0.127D+00 0.899D+00
Gap= 0.598 Goal= None Shift= 0.000
RMSDP=8.25D-05 MaxDP=3.99D-03 DE=-3.70D-02 OVMax= 1.26D-02
Cycle 4 Pass 0 IDiag 1:
RMSU= 4.27D-05 CP: 9.60D-01 7.65D-01 1.00D+00
E= -79.2647237896875 Delta-E= -0.002069791133 Rises=F Damp=F
DIIS: error= 7.09D-04 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -79.2647237896875 IErMin= 4 ErrMin= 7.09D-04
ErrMax= 7.09D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-05 BMatP= 2.02D-03
IDIUse=3 WtCom= 9.93D-01 WtEn= 7.09D-03
Coeff-Com: 0.127D-02-0.311D-01-0.114D+00 0.114D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.126D-02-0.309D-01-0.114D+00 0.114D+01
Gap= 0.599 Goal= None Shift= 0.000
RMSDP=2.19D-05 MaxDP=8.50D-04 DE=-2.07D-03 OVMax= 3.53D-03
Cycle 5 Pass 0 IDiag 1:
RMSU= 7.26D-06 CP: 9.61D-01 7.68D-01 1.05D+00 1.40D+00
E= -79.2647727554571 Delta-E= -0.000048965770 Rises=F Damp=F
DIIS: error= 1.86D-04 at cycle 5 NSaved= 5.
NSaved= 5 IEnMin= 5 EnMin= -79.2647727554571 IErMin= 5 ErrMin= 1.86D-04
ErrMax= 1.86D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-06 BMatP= 2.08D-05
IDIUse=3 WtCom= 9.98D-01 WtEn= 1.86D-03
Coeff-Com: 0.139D-02-0.510D-02-0.381D-01-0.173D+00 0.121D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.139D-02-0.509D-02-0.380D-01-0.173D+00 0.121D+01
Gap= 0.599 Goal= None Shift= 0.000
RMSDP=7.94D-06 MaxDP=2.88D-04 DE=-4.90D-05 OVMax= 1.08D-03
Initial convergence to 1.0D-05 achieved. Increase integral accuracy.
Cycle 6 Pass 1 IDiag 1:
E= -79.2647765204408 Delta-E= -0.000003764984 Rises=F Damp=F
DIIS: error= 1.00D-05 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -79.2647765204408 IErMin= 1 ErrMin= 1.00D-05
ErrMax= 1.00D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-08 BMatP= 1.14D-08
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.100D+01
Coeff: 0.100D+01
Gap= 0.599 Goal= None Shift= 0.000
RMSDP=7.94D-06 MaxDP=2.88D-04 DE=-3.76D-06 OVMax= 6.34D-05
Cycle 7 Pass 1 IDiag 1:
RMSU= 1.03D-06 CP: 1.00D+00
E= -79.2647765403693 Delta-E= -0.000000019929 Rises=F Damp=F
DIIS: error= 3.61D-06 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -79.2647765403693 IErMin= 2 ErrMin= 3.61D-06
ErrMax= 3.61D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-09 BMatP= 1.14D-08
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.810D-01 0.108D+01
Coeff: -0.810D-01 0.108D+01
Gap= 0.599 Goal= None Shift= 0.000
RMSDP=3.30D-07 MaxDP=9.19D-06 DE=-1.99D-08 OVMax= 1.79D-05
Cycle 8 Pass 1 IDiag 1:
RMSU= 1.18D-07 CP: 1.00D+00 1.29D+00
E= -79.2647765428952 Delta-E= -0.000000002526 Rises=F Damp=F
DIIS: error= 1.63D-06 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -79.2647765428952 IErMin= 3 ErrMin= 1.63D-06
ErrMax= 1.63D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-10 BMatP= 1.03D-09
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.111D+00 0.166D+00 0.945D+00
Coeff: -0.111D+00 0.166D+00 0.945D+00
Gap= 0.599 Goal= None Shift= 0.000
RMSDP=1.04D-07 MaxDP=4.11D-06 DE=-2.53D-09 OVMax= 9.53D-06
Cycle 9 Pass 1 IDiag 1:
RMSU= 3.15D-08 CP: 1.00D+00 1.38D+00 1.26D+00
E= -79.2647765432329 Delta-E= -0.000000000338 Rises=F Damp=F
DIIS: error= 3.66D-07 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -79.2647765432329 IErMin= 4 ErrMin= 3.66D-07
ErrMax= 3.66D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-12 BMatP= 1.91D-10
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.137D-01-0.838D-01-0.677D-01 0.114D+01
Coeff: 0.137D-01-0.838D-01-0.677D-01 0.114D+01
Gap= 0.599 Goal= None Shift= 0.000
RMSDP=1.94D-08 MaxDP=5.45D-07 DE=-3.38D-10 OVMax= 1.58D-06
Cycle 10 Pass 1 IDiag 1:
RMSU= 5.56D-09 CP: 1.00D+00 1.40D+00 1.33D+00 1.15D+00
E= -79.2647765432459 Delta-E= -0.000000000013 Rises=F Damp=F
DIIS: error= 3.86D-08 at cycle 5 NSaved= 5.
NSaved= 5 IEnMin= 5 EnMin= -79.2647765432459 IErMin= 5 ErrMin= 3.86D-08
ErrMax= 3.86D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 7.10D-14 BMatP= 5.36D-12
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.849D-03 0.148D-01-0.415D-02-0.230D+00 0.122D+01
Coeff: -0.849D-03 0.148D-01-0.415D-02-0.230D+00 0.122D+01
Gap= 0.599 Goal= None Shift= 0.000
RMSDP=2.15D-09 MaxDP=8.64D-08 DE=-1.30D-11 OVMax= 1.86D-07
SCF Done: E(ROHF) = -79.2647765432 A.U. after 10 cycles
NFock= 10 Conv=0.22D-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= 7.914908981389D+01 PE=-2.680605097024D+02 EE= 6.750441924225D+01
Annihilation of the first spin contaminant:
S**2 before annihilation 0.0000, after 0.0000
Leave Link 502 at Fri Mar 29 17:05:19 2019, MaxMem= 33554432 cpu: 60.5
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
Windowed orbitals will be sorted by symmetry type.
GenMOA: NOpAll= 12 NOp2=4 NOpUse= 12 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= 8.99D-02 ExpMax= 3.40D+04 ExpMxC= 3.27D+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 1.83D-04
Largest core mixing into a valence orbital is 3.18D-05
Largest valence mixing into a core orbital is 1.83D-04
Largest core mixing into a valence orbital is 3.18D-05
Range of M.O.s used for correlation: 3 290
NBasis= 290 NAE= 9 NBE= 9 NFC= 2 NFV= 0
NROrb= 288 NOA= 7 NOB= 7 NVA= 281 NVB= 281
**** Warning!!: The largest alpha MO coefficient is 0.20444714D+02
**** Warning!!: The largest beta MO coefficient is 0.20444714D+02
Singles contribution to E2= -0.9571473001D-15
Leave Link 801 at Fri Mar 29 17:05:26 2019, MaxMem= 33554432 cpu: 7.2
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
Open-shell transformation, MDV= 33554432 ITran=4 ISComp=2.
Semi-Direct transformation.
ModeAB= 4 MOrb= 7 LenV= 31057396
LASXX= 20564167 LTotXX= 20564167 LenRXX= 41366695
LTotAB= 20802528 MaxLAS= 44214912 LenRXY= 0
NonZer= 61930862 LenScr= 93847552 LnRSAI= 44214912
LnScr1= 67764224 LExtra= 0 Total= 247193383
MaxDsk= -1 SrtSym= T ITran= 4
DoSDTr: NPSUse= 1
JobTyp=1 Pass 1: I= 1 to 7.
Complete sort for first half transformation.
First half transformation complete.
Complete sort for second half transformation.
Second half transformation complete.
ModeAB= 4 MOrb= 7 LenV= 31057396
LASXX= 20564167 LTotXX= 20564167 LenRXX= 40366572
LTotAB= 19802405 MaxLAS= 44214912 LenRXY= 0
NonZer= 60930739 LenScr= 92405760 LnRSAI= 44214912
LnScr1= 67764224 LExtra= 0 Total= 244751468
MaxDsk= -1 SrtSym= T ITran= 4
DoSDTr: NPSUse= 1
JobTyp=2 Pass 1: I= 1 to 7.
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 = 0.1269219776D-01 E2= -0.3832927693D-01
alpha-beta T2 = 0.9188620949D-01 E2= -0.3157514362D+00
beta-beta T2 = 0.1269219776D-01 E2= -0.3832927693D-01
ANorm= 0.1057010220D+01
E2 = -0.3924099901D+00 EUMP2 = -0.79657186533336D+02
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
E(PUHF)= -0.79264776543D+02 E(PMP2)= -0.79657186533D+02
Leave Link 804 at Fri Mar 29 17:07:33 2019, MaxMem= 33554432 cpu: 120.3
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
CIDS: MDV= 33554432.
Frozen-core window: NFC= 2 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.
Would need an additional 1079590293 words for in-memory AO integral storage.
CCSD(T)
=======
Iterations= 50 Convergence= 0.100D-06
Iteration Nr. 1
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
FoFJK: IHMeth= 1 ICntrl= 200 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
IRaf= 990000000 NMat= 140 IRICut= 227 DoRegI=T DoRafI=T 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= 200 IOpCl= 0 I1Cent= 0 NGrid= 0
NMat0= 140 NMatS0= 0 NMatT0= 49 NMatD0= 140 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
MP4(R+Q)= 0.33740261D-01
Maximum subspace dimension= 5
Norm of the A-vectors is 8.9366251D-02 conv= 1.00D-05.
RLE energy= -0.3837105621
E3= -0.24843601D-01 EROMP3= -0.79682030134D+02
E4(SDQ)= -0.18951897D-02 ROMP4(SDQ)= -0.79683925324D+02
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
DE(Corr)= -0.38351333 E(Corr)= -79.648289873
NORM(A)= 0.10540662D+01
Iteration Nr. 2
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
Norm of the A-vectors is 4.2410090D-01 conv= 1.00D-05.
RLE energy= -0.3883220725
DE(Corr)= -0.40780171 E(CORR)= -79.672578256 Delta=-2.43D-02
NORM(A)= 0.10557016D+01
Iteration Nr. 3
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
Norm of the A-vectors is 3.6408954D-01 conv= 1.00D-05.
RLE energy= -0.4067798343
DE(Corr)= -0.40947246 E(CORR)= -79.674249003 Delta=-1.67D-03
NORM(A)= 0.10632404D+01
Iteration Nr. 4
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
Norm of the A-vectors is 1.5871762D-01 conv= 1.00D-05.
RLE energy= -0.4190352692
DE(Corr)= -0.41487602 E(CORR)= -79.679652567 Delta=-5.40D-03
NORM(A)= 0.10696563D+01
Iteration Nr. 5
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
Norm of the A-vectors is 8.6811040D-03 conv= 1.00D-05.
RLE energy= -0.4197217918
DE(Corr)= -0.41905134 E(CORR)= -79.683827881 Delta=-4.18D-03
NORM(A)= 0.10700830D+01
Iteration Nr. 6
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
Norm of the A-vectors is 7.9569083D-03 conv= 1.00D-05.
RLE energy= -0.4190702451
DE(Corr)= -0.41927403 E(CORR)= -79.684050575 Delta=-2.23D-04
NORM(A)= 0.10697409D+01
Iteration Nr. 7
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
Norm of the A-vectors is 5.6905368D-04 conv= 1.00D-05.
RLE energy= -0.4190703826
DE(Corr)= -0.41906956 E(CORR)= -79.683846106 Delta= 2.04D-04
NORM(A)= 0.10697420D+01
Iteration Nr. 8
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
Norm of the A-vectors is 1.7552187D-04 conv= 1.00D-05.
RLE energy= -0.4190706507
DE(Corr)= -0.41907135 E(CORR)= -79.683847896 Delta=-1.79D-06
NORM(A)= 0.10697411D+01
Iteration Nr. 9
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
Norm of the A-vectors is 5.1958632D-05 conv= 1.00D-05.
RLE energy= -0.4190704993
DE(Corr)= -0.41907043 E(CORR)= -79.683846973 Delta= 9.23D-07
NORM(A)= 0.10697411D+01
Iteration Nr. 10
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
Norm of the A-vectors is 1.1552482D-05 conv= 1.00D-05.
RLE energy= -0.4190705107
DE(Corr)= -0.41907048 E(CORR)= -79.683847028 Delta=-5.43D-08
NORM(A)= 0.10697411D+01
Iteration Nr. 11
**********************
DD1Dir will call FoFJK 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21 NumPrc= 1.
Norm of the A-vectors is 3.4426156D-06 conv= 1.00D-05.
RLE energy= -0.4190704944
DE(Corr)= -0.41907049 E(CORR)= -79.683847036 Delta=-8.13D-09
NORM(A)= 0.10697411D+01
CI/CC converged in 11 iterations to DelEn=-8.13D-09 Conv= 1.00D-07 ErrA1= 3.44D-06 Conv= 1.00D-05
Largest amplitude= 3.07D-02
Time for triples= 3269.27 seconds.
T4(CCSD)= -0.15187584D-01
T5(CCSD)= 0.39363439D-03
CCSD(T)= -0.79698640985D+02
Discarding MO integrals.
Leave Link 913 at Fri Mar 29 19:54:50 2019, MaxMem= 33554432 cpu: 4344.0
(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 (A1G) (A2U) (A1G) (A2U) (EU) (EU) (A1G) (EG) (EG)
Virtual (A1G) (A2U) (EU) (EU) (EG) (EG) (A1G) (A2U) (EG)
(EG) (EU) (EU) (A1G) (EU) (EU) (A2U) (A2U) (EG)
(EG) (EU) (EU) (A2U) (A1G) (A1U) (EG) (EG) (A1G)
(EG) (EG) (A2G) (EU) (EU) (EG) (EG) (A2U) (A1G)
(A2U) (EU) (EU) (EU) (EU) (A1G) (EG) (EG) (A2U)
(EU) (EU) (EG) (EG) (A1G) (EG) (EG) (A2U) (EU)
(EU) (A1G) (EU) (EU) (A1U) (A2U) (EG) (EG) (A1G)
(EG) (EG) (EU) (EU) (A2G) (EG) (EG) (A2U) (EU)
(EU) (A1U) (EU) (EU) (A2U) (EG) (EG) (A1G) (A2G)
(EU) (EU) (EG) (EG) (A1G) (A2U) (EU) (EU) (EG)
(EG) (EU) (EU) (A2U) (EG) (EG) (A1G) (EG) (EG)
(A1G) (A1U) (A2G) (EU) (EU) (A2U) (A1U) (EG) (EG)
(EU) (EU) (A2U) (A1G) (EG) (EG) (EU) (EU) (A1G)
(EG) (EG) (A2U) (A1G) (EU) (EU) (EU) (EU) (EG)
(EG) (A2G) (A2U) (A1G) (EG) (EG) (EU) (EU) (A2U)
(EG) (EG) (EU) (EU) (EG) (EG) (A1U) (A1G) (A2U)
(EU) (EU) (A2G) (EU) (EU) (A1G) (EG) (EG) (EG)
(EG) (A2G) (A2U) (A1U) (EU) (EU) (EG) (EG) (EU)
(EU) (A2U) (A1U) (EU) (EU) (A2U) (EG) (EG) (EG)
(EG) (A1G) (A2G) (A1G) (A1G) (EU) (EU) (A2U) (EG)
(EG) (EU) (EU) (EU) (EU) (A1U) (A1G) (EU) (EU)
(EG) (EG) (A2U) (A2G) (EG) (EG) (A1G) (EU) (EU)
(EU) (EU) (A1U) (EG) (EG) (A2U) (EG) (EG) (A1G)
(EG) (EG) (A1G) (EU) (EU) (EG) (EG) (A2U) (EU)
(EU) (A2G) (A2U) (EG) (EG) (A1G) (EU) (EU) (EU)
(EU) (A1G) (A2U) (A1U) (EG) (EG) (A2U) (A2G) (EG)
(EG) (EU) (EU) (A1G) (EU) (EU) (EG) (EG) (A1U)
(EG) (EG) (A2U) (A1G) (A2U) (EG) (EG) (EU) (EU)
(A2G) (EU) (EU) (EG) (EG) (A2U) (EU) (EU) (A1G)
(EG) (EG) (EU) (EU) (A2U) (A1G) (EG) (EG) (A1U)
(EU) (EU) (A2G) (A2U) (A1G) (EU) (EU) (EG) (EG)
(A2U) (A1G)
The electronic state is 1-A1G.
Alpha occ. eigenvalues -- -11.21242 -11.21182 -1.01551 -0.84047 -0.59477
Alpha occ. eigenvalues -- -0.59477 -0.50970 -0.48591 -0.48591
Alpha virt. eigenvalues -- 0.11313 0.14939 0.17786 0.17786 0.20511
Alpha virt. eigenvalues -- 0.20511 0.28458 0.29288 0.30347 0.30347
Alpha virt. eigenvalues -- 0.33387 0.33387 0.46687 0.48775 0.48775
Alpha virt. eigenvalues -- 0.52443 0.55061 0.55671 0.55671 0.59083
Alpha virt. eigenvalues -- 0.59083 0.65612 0.68620 0.78666 0.78698
Alpha virt. eigenvalues -- 0.78698 0.86703 0.87751 0.87751 0.88063
Alpha virt. eigenvalues -- 0.91079 0.91079 0.95242 0.95242 0.99114
Alpha virt. eigenvalues -- 1.02938 1.05023 1.08717 1.08717 1.13860
Alpha virt. eigenvalues -- 1.13860 1.18232 1.18812 1.18812 1.21091
Alpha virt. eigenvalues -- 1.22538 1.22538 1.25893 1.25893 1.57457
Alpha virt. eigenvalues -- 1.60422 1.60422 1.65902 1.66502 1.66502
Alpha virt. eigenvalues -- 1.84458 1.91365 1.91365 1.96594 1.97621
Alpha virt. eigenvalues -- 2.02025 2.02025 2.04059 2.07237 2.07237
Alpha virt. eigenvalues -- 2.11595 2.11595 2.13195 2.16437 2.16437
Alpha virt. eigenvalues -- 2.20849 2.25517 2.25517 2.29475 2.32032
Alpha virt. eigenvalues -- 2.32032 2.38808 2.39960 2.39960 2.41755
Alpha virt. eigenvalues -- 2.43882 2.53464 2.53464 2.61333 2.61333
Alpha virt. eigenvalues -- 2.66434 2.66796 2.69988 2.69988 2.75367
Alpha virt. eigenvalues -- 2.75367 2.76309 2.76309 2.80946 2.88715
Alpha virt. eigenvalues -- 2.88715 2.88998 2.91236 2.91236 3.05239
Alpha virt. eigenvalues -- 3.08333 3.16161 3.19437 3.19437 3.19468
Alpha virt. eigenvalues -- 3.30898 3.33997 3.33997 3.37161 3.37161
Alpha virt. eigenvalues -- 3.38566 3.39578 3.45871 3.45871 3.46701
Alpha virt. eigenvalues -- 3.46701 3.64115 3.69209 3.69209 3.71337
Alpha virt. eigenvalues -- 3.74703 3.81902 3.81902 4.07643 4.07643
Alpha virt. eigenvalues -- 4.10591 4.10591 4.13233 4.14655 4.15822
Alpha virt. eigenvalues -- 4.18963 4.18963 4.22035 4.22035 4.36868
Alpha virt. eigenvalues -- 5.50288 5.50288 5.56127 5.56127 5.66781
Alpha virt. eigenvalues -- 5.66781 5.66878 5.67545 5.73020 5.82825
Alpha virt. eigenvalues -- 5.82825 5.86705 6.05530 6.05530 6.05595
Alpha virt. eigenvalues -- 6.14952 6.14952 6.22299 6.22299 6.24516
Alpha virt. eigenvalues -- 6.27508 6.27874 6.29276 6.29276 6.40405
Alpha virt. eigenvalues -- 6.40405 6.42099 6.42099 6.45478 6.47442
Alpha virt. eigenvalues -- 6.49585 6.49585 6.52885 6.55272 6.55272
Alpha virt. eigenvalues -- 6.57937 6.57937 6.58317 6.60904 6.67607
Alpha virt. eigenvalues -- 6.69512 6.75737 6.75737 6.77417 6.82033
Alpha virt. eigenvalues -- 6.82033 7.02364 7.02364 7.06833 7.06833
Alpha virt. eigenvalues -- 7.10252 7.10347 7.26625 7.26625 7.30505
Alpha virt. eigenvalues -- 7.30505 7.40789 7.61302 7.61914 7.61914
Alpha virt. eigenvalues -- 7.66258 7.69051 7.69051 7.80494 7.80494
Alpha virt. eigenvalues -- 7.81738 7.86998 7.86998 7.91873 7.93316
Alpha virt. eigenvalues -- 7.93316 7.97209 8.02846 8.02846 8.07044
Alpha virt. eigenvalues -- 8.12791 8.12791 8.15360 8.15360 8.17718
Alpha virt. eigenvalues -- 8.21979 8.21979 8.24779 8.29978 8.47133
Alpha virt. eigenvalues -- 8.47133 8.47613 8.55649 8.55649 8.65470
Alpha virt. eigenvalues -- 8.65470 8.67551 8.68728 8.72194 8.81959
Alpha virt. eigenvalues -- 8.81959 8.83084 8.83213 8.86713 8.86713
Alpha virt. eigenvalues -- 8.99881 8.99881 9.00769 9.05060 9.05060
Alpha virt. eigenvalues -- 9.08743 9.08743 9.21337 9.24051 9.24051
Alpha virt. eigenvalues -- 9.31856 9.34236 9.40059 9.46229 9.46229
Alpha virt. eigenvalues -- 9.48871 9.48871 9.52613 9.64517 9.64517
Alpha virt. eigenvalues -- 10.14692 10.14692 10.16025 10.24082 10.24082
Alpha virt. eigenvalues -- 10.38708 10.45252 10.45252 10.46373 10.46373
Alpha virt. eigenvalues -- 10.62001 10.72113 10.74740 10.74740 10.75685
Alpha virt. eigenvalues -- 10.87304 10.87304 11.13277 11.55700 11.84227
Alpha virt. eigenvalues -- 12.78509 12.78509 12.88262 12.88262 26.86619
Alpha virt. eigenvalues -- 27.24789
Molecular Orbital Coefficients:
1 2 3 4 5
(A1G)--O (A2U)--O (A1G)--O (A2U)--O (EU)--O
Eigenvalues -- -11.21242 -11.21182 -1.01551 -0.84047 -0.59477
1 1 C 1S 0.44295 0.44303 -0.08438 -0.07321 0.00000
2 2S -0.28776 -0.28787 0.13491 0.11821 0.00000
3 3S 0.01458 0.01444 0.14205 0.12690 0.00000
4 4S -0.00714 -0.00635 0.31429 0.28104 0.00000
5 5S -0.00130 -0.00023 0.07142 0.09134 0.00000
6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.00000 0.00000 0.07988
8 6PZ -0.00009 0.00000 -0.01461 0.03239 0.00000
9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.00000 0.00000 0.15390
11 7PZ -0.00012 0.00011 -0.02833 0.06369 0.00000
12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 0.00000 0.00000 0.17588
14 8PZ -0.00144 0.00150 -0.02744 0.06068 0.00000
15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 0.00000 0.00000 0.05506
17 9PZ -0.00019 0.00022 -0.00229 0.01075 0.00000
18 10D 0 0.00000 -0.00003 0.00134 -0.00290 0.00000
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00188
21 10D+2 0.00000 0.00000 0.00000 0.00000 -0.00386
22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
23 11D 0 0.00018 -0.00011 0.00591 -0.00727 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000 -0.00005
26 11D+2 0.00000 0.00000 0.00000 0.00000 -0.00857
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
28 12D 0 0.00035 -0.00035 0.00345 -0.00513 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00172
31 12D+2 0.00000 0.00000 0.00000 0.00000 -0.01074
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
33 13F 0 -0.00018 -0.00015 -0.00206 -0.00094 0.00000
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00052
36 13F+2 0.00000 0.00000 0.00000 0.00000 -0.00078
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 -0.00014 -0.00015 -0.00140 -0.00165 0.00000
40 14F 0 0.00022 0.00005 -0.00837 -0.00464 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00251
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00083
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00016 0.00017 -0.00524 -0.00492 0.00000
47 15G 0 0.00002 -0.00001 0.00075 0.00009 0.00000
48 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
49 15G-1 0.00000 0.00000 0.00000 0.00000 -0.00095
50 15G+2 0.00000 0.00000 0.00000 0.00000 0.00016
51 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 -0.00002 -0.00004 -0.00098 -0.00084 0.00000
54 15G+4 0.00000 0.00000 0.00000 0.00000 0.00034
55 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 C 1S 0.44295 -0.44303 -0.08438 0.07321 0.00000
57 2S -0.28776 0.28787 0.13491 -0.11821 0.00000
58 3S 0.01458 -0.01444 0.14205 -0.12690 0.00000
59 4S -0.00714 0.00635 0.31429 -0.28104 0.00000
60 5S -0.00130 0.00023 0.07142 -0.09134 0.00000
61 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
62 6PY 0.00000 0.00000 0.00000 0.00000 0.07988
63 6PZ 0.00009 0.00000 0.01461 0.03239 0.00000
64 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
65 7PY 0.00000 0.00000 0.00000 0.00000 0.15390
66 7PZ 0.00012 0.00011 0.02833 0.06369 0.00000
67 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
68 8PY 0.00000 0.00000 0.00000 0.00000 0.17588
69 8PZ 0.00144 0.00150 0.02744 0.06068 0.00000
70 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
71 9PY 0.00000 0.00000 0.00000 0.00000 0.05506
72 9PZ 0.00019 0.00022 0.00229 0.01075 0.00000
73 10D 0 0.00000 0.00003 0.00134 0.00290 0.00000
74 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
75 10D-1 0.00000 0.00000 0.00000 0.00000 -0.00188
76 10D+2 0.00000 0.00000 0.00000 0.00000 0.00386
77 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
78 11D 0 0.00018 0.00011 0.00591 0.00727 0.00000
79 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
80 11D-1 0.00000 0.00000 0.00000 0.00000 0.00005
81 11D+2 0.00000 0.00000 0.00000 0.00000 0.00857
82 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
83 12D 0 0.00035 0.00035 0.00345 0.00513 0.00000
84 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
85 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00172
86 12D+2 0.00000 0.00000 0.00000 0.00000 0.01074
87 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
88 13F 0 0.00018 -0.00015 0.00206 -0.00094 0.00000
89 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
90 13F-1 0.00000 0.00000 0.00000 0.00000 0.00052
91 13F+2 0.00000 0.00000 0.00000 0.00000 -0.00078
92 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
94 13F-3 0.00014 -0.00015 0.00140 -0.00165 0.00000
95 14F 0 -0.00022 0.00005 0.00837 -0.00464 0.00000
96 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
97 14F-1 0.00000 0.00000 0.00000 0.00000 0.00251
98 14F+2 0.00000 0.00000 0.00000 0.00000 0.00083
99 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
100 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
101 14F-3 -0.00016 0.00017 0.00524 -0.00492 0.00000
102 15G 0 0.00002 0.00001 0.00075 -0.00009 0.00000
103 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
104 15G-1 0.00000 0.00000 0.00000 0.00000 0.00095
105 15G+2 0.00000 0.00000 0.00000 0.00000 -0.00016
106 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
108 15G-3 -0.00002 0.00004 -0.00098 0.00084 0.00000
109 15G+4 0.00000 0.00000 0.00000 0.00000 -0.00034
110 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
111 3 H 1S 0.00007 0.00007 0.02019 0.02731 0.04068
112 2S 0.00026 0.00027 0.04671 0.06702 0.10930
113 3S 0.00217 0.00069 0.04541 0.07820 0.15451
114 4S 0.00013 -0.00006 0.00354 0.01222 0.04484
115 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
116 5PY -0.00001 -0.00004 -0.00213 -0.00260 -0.00202
117 5PZ -0.00002 0.00001 -0.00097 -0.00065 -0.00140
118 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
119 6PY -0.00011 0.00005 -0.00400 -0.00719 -0.01091
120 6PZ 0.00000 -0.00009 -0.00275 -0.00088 -0.00672
121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
122 7PY -0.00078 -0.00024 -0.00131 -0.00546 -0.00873
123 7PZ -0.00037 -0.00016 -0.00177 -0.00017 -0.00593
124 8D 0 -0.00001 -0.00001 -0.00009 -0.00033 -0.00014
125 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
126 8D-1 0.00001 0.00002 0.00036 0.00030 0.00074
127 8D+2 -0.00002 -0.00002 -0.00036 -0.00057 -0.00074
128 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
129 9D 0 0.00000 0.00009 0.00018 -0.00108 -0.00066
130 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
131 9D-1 0.00002 0.00000 0.00086 0.00034 0.00213
132 9D+2 0.00000 0.00007 -0.00065 -0.00137 -0.00221
133 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
134 10F 0 0.00000 0.00001 0.00009 0.00012 0.00028
135 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
136 10F-1 0.00001 -0.00001 -0.00006 0.00018 0.00010
137 10F+2 0.00002 0.00001 0.00006 0.00008 0.00029
138 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
139 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
140 10F-3 0.00001 0.00001 0.00010 0.00017 0.00043
141 4 H 1S 0.00007 0.00007 0.02019 0.02731 -0.02034
142 2S 0.00026 0.00027 0.04671 0.06702 -0.05465
143 3S 0.00217 0.00069 0.04541 0.07820 -0.07725
144 4S 0.00013 -0.00006 0.00354 0.01222 -0.02242
145 5PX 0.00001 0.00004 0.00185 0.00225 -0.00145
146 5PY 0.00001 0.00002 0.00107 0.00130 0.00049
147 5PZ -0.00002 0.00001 -0.00097 -0.00065 0.00070
148 6PX 0.00009 -0.00004 0.00347 0.00623 -0.00641
149 6PY 0.00005 -0.00002 0.00200 0.00360 0.00020
150 6PZ 0.00000 -0.00009 -0.00275 -0.00088 0.00336
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281 9D-1 -0.00134 0.00037 0.00048 0.00106 0.01951
282 9D+2 0.00052 0.00075 -0.00117 -0.00033 -0.01929
283 9D-2 0.00191 0.00130 -0.00033 -0.00155 -0.03340
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290 10F-3 -0.00037 -0.00015 0.00017 0.00029 0.00192
11 12 13 14 15
(A2U)--V (EU)--V (EU)--V (EG)--V (EG)--V
Eigenvalues -- 0.14939 0.17786 0.17786 0.20511 0.20511
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144 4S -1.18744 -1.21687 2.10768 -1.40565 2.43467
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188 8D-2 -0.00178 -0.00116 -0.00266 -0.00072 -0.00180
189 9D 0 0.01346 -0.00240 -0.00416 0.00521 0.00903
190 9D+1 -0.01546 -0.01435 -0.01742 -0.01135 -0.02520
191 9D-1 0.00893 0.00085 0.01435 0.01209 0.01135
192 9D+2 -0.01296 -0.01509 0.00270 -0.01382 -0.01403
193 9D-2 0.02244 -0.00270 0.01198 0.01403 0.03002
194 10F 0 -0.00160 0.00010 0.00018 -0.00021 -0.00036
195 10F+1 -0.00048 0.00010 0.00148 -0.00030 -0.00038
196 10F-1 0.00028 -0.00136 -0.00010 0.00004 0.00030
197 10F+2 0.00076 0.00113 0.00046 0.00105 0.00011
198 10F-2 -0.00131 -0.00046 -0.00166 -0.00011 -0.00118
199 10F+3 0.00000 0.00180 -0.00104 0.00064 -0.00037
200 10F-3 -0.00110 0.00019 0.00033 -0.00073 -0.00127
201 6 H 1S -0.00344 0.00163 0.00000 -0.00319 0.00000
202 2S 0.01424 0.02808 0.00000 0.00865 0.00000
203 3S 0.61573 -0.15490 0.00000 1.19935 0.00000
204 4S 1.18744 -2.43374 0.00000 2.81131 0.00000
205 5PX 0.00000 0.00000 0.00014 0.00000 0.00193
206 5PY -0.00096 -0.00466 0.00000 -0.00183 0.00000
207 5PZ -0.00079 -0.00193 0.00000 -0.00052 0.00000
208 6PX 0.00000 0.00000 -0.00025 0.00000 -0.02169
209 6PY 0.01071 0.05790 0.00000 0.01028 0.00000
210 6PZ 0.00337 0.02391 0.00000 0.00258 0.00000
211 7PX 0.00000 0.00000 -0.09390 0.00000 0.07000
212 7PY 0.31092 -0.25235 0.00000 0.50026 0.00000
213 7PZ 0.08110 -0.17597 0.00000 0.22745 0.00000
214 8D 0 0.00113 -0.00076 0.00000 0.00025 0.00000
215 8D+1 0.00000 0.00000 0.00130 0.00000 0.00112
216 8D-1 -0.00091 0.00375 0.00000 -0.00274 0.00000
217 8D+2 0.00205 -0.00333 0.00000 0.00222 0.00000
218 8D-2 0.00000 0.00000 0.00066 0.00000 -0.00055
219 9D 0 -0.01346 -0.00481 0.00000 -0.01042 0.00000
220 9D+1 0.00000 0.00000 -0.00744 0.00000 -0.00554
221 9D-1 0.01786 -0.02570 0.00000 0.03176 0.00000
222 9D+2 -0.02591 0.01042 0.00000 -0.03812 0.00000
223 9D-2 0.00000 0.00000 -0.01665 0.00000 0.00572
224 10F 0 -0.00160 -0.00021 0.00000 -0.00042 0.00000
225 10F+1 0.00000 0.00000 0.00130 0.00000 -0.00013
226 10F-1 -0.00056 -0.00154 0.00000 -0.00055 0.00000
227 10F+2 -0.00152 0.00193 0.00000 -0.00124 0.00000
228 10F-2 0.00000 0.00000 -0.00086 0.00000 0.00099
229 10F+3 0.00000 0.00000 0.00207 0.00000 -0.00074
230 10F-3 -0.00110 -0.00038 0.00000 -0.00146 0.00000
231 7 H 1S -0.00344 -0.00081 -0.00141 0.00159 0.00276
232 2S 0.01424 -0.01404 -0.02432 -0.00433 -0.00749
233 3S 0.61573 0.07745 0.13415 -0.59967 -1.03866
234 4S 1.18744 1.21687 2.10768 -1.40565 -2.43467
235 5PX -0.00083 0.00196 0.00353 -0.00004 0.00186
236 5PY 0.00048 -0.00127 -0.00196 -0.00191 0.00004
237 5PZ -0.00079 0.00097 0.00167 0.00026 0.00045
238 6PX 0.00927 -0.02496 -0.04349 0.00494 -0.01313
239 6PY -0.00535 0.01466 0.02496 0.01884 -0.00494
240 6PZ 0.00337 -0.01196 -0.02071 -0.00129 -0.00223
241 7PX 0.26927 0.14993 0.16579 -0.24693 -0.35769
242 7PY -0.15546 0.00734 -0.14993 0.07256 0.24693
243 7PZ 0.08110 0.08799 0.15240 -0.11373 -0.19698
244 8D 0 0.00113 0.00038 0.00066 -0.00012 -0.00022
245 8D+1 -0.00079 -0.00219 -0.00249 0.00070 0.00234
246 8D-1 0.00046 -0.00003 0.00219 -0.00153 -0.00070
247 8D+2 -0.00103 -0.00133 -0.00116 0.00097 0.00072
248 8D-2 0.00178 0.00116 0.00266 -0.00072 -0.00180
249 9D 0 -0.01346 0.00240 0.00416 0.00521 0.00903
250 9D+1 0.01546 0.01435 0.01742 -0.01135 -0.02520
251 9D-1 -0.00893 -0.00085 -0.01435 0.01209 0.01135
252 9D+2 0.01296 0.01509 -0.00270 -0.01382 -0.01403
253 9D-2 -0.02244 0.00270 -0.01198 0.01403 0.03002
254 10F 0 -0.00160 0.00010 0.00018 0.00021 0.00036
255 10F+1 -0.00048 0.00010 0.00148 0.00030 0.00038
256 10F-1 0.00028 -0.00136 -0.00010 -0.00004 -0.00030
257 10F+2 0.00076 0.00113 0.00046 -0.00105 -0.00011
258 10F-2 -0.00131 -0.00046 -0.00166 0.00011 0.00118
259 10F+3 0.00000 0.00180 -0.00104 -0.00064 0.00037
260 10F-3 -0.00110 0.00019 0.00033 0.00073 0.00127
261 8 H 1S -0.00344 -0.00081 0.00141 0.00159 -0.00276
262 2S 0.01424 -0.01404 0.02432 -0.00433 0.00749
263 3S 0.61573 0.07745 -0.13415 -0.59967 1.03866
264 4S 1.18744 1.21687 -2.10768 -1.40565 2.43467
265 5PX 0.00083 -0.00196 0.00353 0.00004 0.00186
266 5PY 0.00048 -0.00127 0.00196 -0.00191 -0.00004
267 5PZ -0.00079 0.00097 -0.00167 0.00026 -0.00045
268 6PX -0.00927 0.02496 -0.04349 -0.00494 -0.01313
269 6PY -0.00535 0.01466 -0.02496 0.01884 0.00494
270 6PZ 0.00337 -0.01196 0.02071 -0.00129 0.00223
271 7PX -0.26927 -0.14993 0.16579 0.24693 -0.35769
272 7PY -0.15546 0.00734 0.14993 0.07256 -0.24693
273 7PZ 0.08110 0.08799 -0.15240 -0.11373 0.19698
274 8D 0 0.00113 0.00038 -0.00066 -0.00012 0.00022
275 8D+1 0.00079 0.00219 -0.00249 -0.00070 0.00234
276 8D-1 0.00046 -0.00003 -0.00219 -0.00153 0.00070
277 8D+2 -0.00103 -0.00133 0.00116 0.00097 -0.00072
278 8D-2 -0.00178 -0.00116 0.00266 0.00072 -0.00180
279 9D 0 -0.01346 0.00240 -0.00416 0.00521 -0.00903
280 9D+1 -0.01546 -0.01435 0.01742 0.01135 -0.02520
281 9D-1 -0.00893 -0.00085 0.01435 0.01209 -0.01135
282 9D+2 0.01296 0.01509 0.00270 -0.01382 0.01403
283 9D-2 0.02244 -0.00270 -0.01198 -0.01403 0.03002
284 10F 0 -0.00160 0.00010 -0.00018 0.00021 -0.00036
285 10F+1 0.00048 -0.00010 0.00148 -0.00030 0.00038
286 10F-1 0.00028 -0.00136 0.00010 -0.00004 0.00030
287 10F+2 0.00076 0.00113 -0.00046 -0.00105 0.00011
288 10F-2 0.00131 0.00046 -0.00166 -0.00011 0.00118
289 10F+3 0.00000 -0.00180 -0.00104 0.00064 0.00037
290 10F-3 -0.00110 0.00019 -0.00033 0.00073 -0.00127
16 17 18 19 20
(A1G)--V (A2U)--V (EG)--V (EG)--V (EU)--V
Eigenvalues -- 0.28458 0.29288 0.30347 0.30347 0.33387
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2 2S 0.00807 -0.00357 0.00000 0.00000 0.00000
3 3S -0.13675 0.09255 0.00000 0.00000 0.00000
4 4S 1.09327 0.10492 0.00000 0.00000 0.00000
5 5S 1.16652 -4.26999 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 -0.03302 0.00000 0.00000
7 6PY 0.00000 0.00000 0.00000 -0.03302 0.01453
8 6PZ -0.03447 0.03598 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 -0.04415 0.00000 0.00000
10 7PY 0.00000 0.00000 0.00000 -0.04415 0.02665
11 7PZ -0.07417 -0.03430 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 1.33241 0.00000 0.00000
13 8PY 0.00000 0.00000 0.00000 1.33241 -2.32201
14 8PZ -0.11447 1.81751 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 2.98467 0.00000 0.00000
16 9PY 0.00000 0.00000 0.00000 2.98467 -3.00176
17 9PZ 1.86172 5.38931 0.00000 0.00000 0.00000
18 10D 0 0.00068 0.01749 0.00000 0.00000 0.00000
19 10D+1 0.00000 0.00000 -0.00499 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 -0.00499 0.01110
21 10D+2 0.00000 0.00000 0.00000 0.01187 -0.01233
22 10D-2 0.00000 0.00000 0.01187 0.00000 0.00000
23 11D 0 0.06589 -0.07413 0.00000 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.10151 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.10151 -0.10549
26 11D+2 0.00000 0.00000 0.00000 -0.12636 0.13209
27 11D-2 0.00000 0.00000 -0.12636 0.00000 0.00000
28 12D 0 -0.33322 -0.85850 0.00000 0.00000 0.00000
29 12D+1 0.00000 0.00000 -0.33924 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 -0.33924 -0.81049
31 12D+2 0.00000 0.00000 0.00000 -0.57279 1.28913
32 12D-2 0.00000 0.00000 -0.57279 0.00000 0.00000
33 13F 0 -0.01375 -0.00070 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 -0.00997 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.00000 -0.00997 -0.00069
36 13F+2 0.00000 0.00000 0.00000 -0.00813 0.00672
37 13F-2 0.00000 0.00000 -0.00813 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 -0.00031 0.00120 0.00000 0.00000 0.00000
40 14F 0 0.03349 0.07133 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.05295 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.05295 0.07492
43 14F+2 0.00000 0.00000 0.00000 -0.07023 0.06926
44 14F-2 0.00000 0.00000 -0.07023 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 -0.02786 -0.01361 0.00000 0.00000 0.00000
47 15G 0 -0.00602 -0.01977 0.00000 0.00000 0.00000
48 15G+1 0.00000 0.00000 -0.01563 0.00000 0.00000
49 15G-1 0.00000 0.00000 0.00000 -0.01563 0.01346
50 15G+2 0.00000 0.00000 0.00000 0.00190 -0.00788
51 15G-2 0.00000 0.00000 0.00190 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 -0.00303 -0.00590 0.00000 0.00000 0.00000
54 15G+4 0.00000 0.00000 0.00000 0.00709 -0.01619
55 15G-4 0.00000 0.00000 -0.00709 0.00000 0.00000
56 2 C 1S -0.00790 -0.00810 0.00000 0.00000 0.00000
57 2S 0.00807 0.00357 0.00000 0.00000 0.00000
58 3S -0.13675 -0.09255 0.00000 0.00000 0.00000
59 4S 1.09327 -0.10492 0.00000 0.00000 0.00000
60 5S 1.16652 4.26999 0.00000 0.00000 0.00000
61 6PX 0.00000 0.00000 0.03302 0.00000 0.00000
62 6PY 0.00000 0.00000 0.00000 0.03302 0.01453
63 6PZ 0.03447 0.03598 0.00000 0.00000 0.00000
64 7PX 0.00000 0.00000 0.04415 0.00000 0.00000
65 7PY 0.00000 0.00000 0.00000 0.04415 0.02665
66 7PZ 0.07417 -0.03430 0.00000 0.00000 0.00000
67 8PX 0.00000 0.00000 -1.33241 0.00000 0.00000
68 8PY 0.00000 0.00000 0.00000 -1.33241 -2.32201
69 8PZ 0.11447 1.81751 0.00000 0.00000 0.00000
70 9PX 0.00000 0.00000 -2.98467 0.00000 0.00000
71 9PY 0.00000 0.00000 0.00000 -2.98467 -3.00176
72 9PZ -1.86172 5.38931 0.00000 0.00000 0.00000
73 10D 0 0.00068 -0.01749 0.00000 0.00000 0.00000
74 10D+1 0.00000 0.00000 -0.00499 0.00000 0.00000
75 10D-1 0.00000 0.00000 0.00000 -0.00499 -0.01110
76 10D+2 0.00000 0.00000 0.00000 0.01187 0.01233
77 10D-2 0.00000 0.00000 0.01187 0.00000 0.00000
78 11D 0 0.06589 0.07413 0.00000 0.00000 0.00000
79 11D+1 0.00000 0.00000 0.10151 0.00000 0.00000
80 11D-1 0.00000 0.00000 0.00000 0.10151 0.10549
81 11D+2 0.00000 0.00000 0.00000 -0.12636 -0.13209
82 11D-2 0.00000 0.00000 -0.12636 0.00000 0.00000
83 12D 0 -0.33322 0.85850 0.00000 0.00000 0.00000
84 12D+1 0.00000 0.00000 -0.33924 0.00000 0.00000
85 12D-1 0.00000 0.00000 0.00000 -0.33924 0.81049
86 12D+2 0.00000 0.00000 0.00000 -0.57279 -1.28913
87 12D-2 0.00000 0.00000 -0.57279 0.00000 0.00000
88 13F 0 0.01375 -0.00070 0.00000 0.00000 0.00000
89 13F+1 0.00000 0.00000 0.00997 0.00000 0.00000
90 13F-1 0.00000 0.00000 0.00000 0.00997 -0.00069
91 13F+2 0.00000 0.00000 0.00000 0.00813 0.00672
92 13F-2 0.00000 0.00000 0.00813 0.00000 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
94 13F-3 0.00031 0.00120 0.00000 0.00000 0.00000
95 14F 0 -0.03349 0.07133 0.00000 0.00000 0.00000
96 14F+1 0.00000 0.00000 -0.05295 0.00000 0.00000
97 14F-1 0.00000 0.00000 0.00000 -0.05295 0.07492
98 14F+2 0.00000 0.00000 0.00000 0.07023 0.06926
99 14F-2 0.00000 0.00000 0.07023 0.00000 0.00000
100 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
101 14F-3 0.02786 -0.01361 0.00000 0.00000 0.00000
102 15G 0 -0.00602 0.01977 0.00000 0.00000 0.00000
103 15G+1 0.00000 0.00000 -0.01563 0.00000 0.00000
104 15G-1 0.00000 0.00000 0.00000 -0.01563 -0.01346
105 15G+2 0.00000 0.00000 0.00000 0.00190 0.00788
106 15G-2 0.00000 0.00000 0.00190 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
108 15G-3 -0.00303 0.00590 0.00000 0.00000 0.00000
109 15G+4 0.00000 0.00000 0.00000 0.00709 0.01619
110 15G-4 0.00000 0.00000 -0.00709 0.00000 0.00000
111 3 H 1S -0.00626 -0.00408 0.00000 -0.01362 0.01864
112 2S -0.01975 -0.02725 0.00000 -0.00188 0.08615
113 3S -0.54234 -0.61350 0.00000 -2.30294 4.09208
114 4S -0.15565 -1.53670 0.00000 -0.39755 2.10047
115 5PX 0.00000 0.00000 -0.00169 0.00000 0.00000
116 5PY -0.00265 -0.00052 0.00000 -0.01957 0.01695
117 5PZ -0.00965 0.00058 0.00000 -0.00358 0.01016
118 6PX 0.00000 0.00000 0.02202 0.00000 0.00000
119 6PY 0.01912 0.00341 0.00000 0.16739 -0.16397
120 6PZ 0.06336 0.01262 0.00000 0.04195 -0.07738
121 7PX 0.00000 0.00000 0.04258 0.00000 0.00000
122 7PY 0.11295 0.28746 0.00000 0.37174 -1.02771
123 7PZ -0.14969 0.01009 0.00000 0.46831 -0.48667
124 8D 0 -0.00387 -0.00204 0.00000 0.00568 -0.00210
125 8D+1 0.00000 0.00000 0.00114 0.00000 0.00000
126 8D-1 -0.00071 0.00001 0.00000 0.00078 0.00222
127 8D+2 0.00235 -0.00042 0.00000 0.00397 -0.00074
128 8D-2 0.00000 0.00000 0.00144 0.00000 0.00000
129 9D 0 0.02668 0.02771 0.00000 -0.00510 -0.01468
130 9D+1 0.00000 0.00000 -0.00538 0.00000 0.00000
131 9D-1 0.00153 0.00231 0.00000 -0.06259 0.07927
132 9D+2 0.00385 0.01945 0.00000 0.06120 -0.07993
133 9D-2 0.00000 0.00000 -0.01537 0.00000 0.00000
134 10F 0 0.00041 0.00052 0.00000 -0.00264 0.00512
135 10F+1 0.00000 0.00000 0.00015 0.00000 0.00000
136 10F-1 -0.00218 -0.00283 0.00000 -0.00036 -0.00074
137 10F+2 0.00180 0.00182 0.00000 -0.00445 0.00584
138 10F-2 0.00000 0.00000 0.00080 0.00000 0.00000
139 10F+3 0.00000 0.00000 -0.00120 0.00000 0.00000
140 10F-3 -0.00281 -0.00144 0.00000 -0.00635 0.00298
141 4 H 1S -0.00626 -0.00408 0.01179 0.00681 -0.00932
142 2S -0.01975 -0.02725 0.00163 0.00094 -0.04308
143 3S -0.54234 -0.61350 1.99441 1.15147 -2.04604
144 4S -0.15565 -1.53670 0.34429 0.19877 -1.05024
145 5PX 0.00230 0.00045 -0.01510 -0.00774 0.00764
146 5PY 0.00133 0.00026 -0.00774 -0.00616 0.00372
147 5PZ -0.00965 0.00058 0.00310 0.00179 -0.00508
148 6PX -0.01656 -0.00295 0.13105 0.06294 -0.06697
149 6PY -0.00956 -0.00170 0.06294 0.05837 -0.04797
150 6PZ 0.06336 0.01262 -0.03633 -0.02097 0.03869
151 7PX -0.09782 -0.24894 0.28945 0.14253 -0.44282
152 7PY -0.05647 -0.14373 0.14253 0.12487 -0.26071
153 7PZ -0.14969 0.01009 -0.40557 -0.23415 0.24333
154 8D 0 -0.00387 -0.00204 -0.00492 -0.00284 0.00105
155 8D+1 0.00062 -0.00001 0.00087 -0.00015 0.00262
156 8D-1 0.00036 -0.00001 -0.00015 0.00105 -0.00231
157 8D+2 -0.00117 0.00021 0.00109 0.00207 0.00099
158 8D-2 -0.00203 0.00036 0.00333 0.00109 -0.00099
159 9D 0 0.02668 0.02771 0.00441 0.00255 0.00734
160 9D+1 -0.00133 -0.00200 -0.04829 -0.02477 0.02689
161 9D-1 -0.00077 -0.00116 -0.02477 -0.01968 0.03270
162 9D+2 -0.00193 -0.00973 0.03316 0.00377 -0.03598
163 9D-2 -0.00334 -0.01685 0.04206 0.03316 -0.02538
164 10F 0 0.00041 0.00052 0.00229 0.00132 -0.00256
165 10F+1 0.00189 0.00245 -0.00023 -0.00022 -0.00051
166 10F-1 0.00109 0.00141 -0.00022 0.00002 0.00014
167 10F+2 -0.00090 -0.00091 -0.00227 -0.00051 0.00266
168 10F-2 -0.00156 -0.00157 -0.00314 -0.00227 0.00184
169 10F+3 0.00000 0.00000 0.00060 -0.00104 -0.00202
170 10F-3 -0.00281 -0.00144 0.00550 0.00318 -0.00149
171 5 H 1S -0.00626 -0.00408 -0.01179 0.00681 -0.00932
172 2S -0.01975 -0.02725 -0.00163 0.00094 -0.04308
173 3S -0.54234 -0.61350 -1.99441 1.15147 -2.04604
174 4S -0.15565 -1.53670 -0.34429 0.19877 -1.05024
175 5PX -0.00230 -0.00045 -0.01510 0.00774 -0.00764
176 5PY 0.00133 0.00026 0.00774 -0.00616 0.00372
177 5PZ -0.00965 0.00058 -0.00310 0.00179 -0.00508
178 6PX 0.01656 0.00295 0.13105 -0.06294 0.06697
179 6PY -0.00956 -0.00170 -0.06294 0.05837 -0.04797
180 6PZ 0.06336 0.01262 0.03633 -0.02097 0.03869
181 7PX 0.09782 0.24894 0.28945 -0.14253 0.44282
182 7PY -0.05647 -0.14373 -0.14253 0.12487 -0.26071
183 7PZ -0.14969 0.01009 0.40557 -0.23415 0.24333
184 8D 0 -0.00387 -0.00204 0.00492 -0.00284 0.00105
185 8D+1 -0.00062 0.00001 0.00087 0.00015 -0.00262
186 8D-1 0.00036 -0.00001 0.00015 0.00105 -0.00231
187 8D+2 -0.00117 0.00021 -0.00109 0.00207 0.00099
188 8D-2 0.00203 -0.00036 0.00333 -0.00109 0.00099
189 9D 0 0.02668 0.02771 -0.00441 0.00255 0.00734
190 9D+1 0.00133 0.00200 -0.04829 0.02477 -0.02689
191 9D-1 -0.00077 -0.00116 0.02477 -0.01968 0.03270
192 9D+2 -0.00193 -0.00973 -0.03316 0.00377 -0.03598
193 9D-2 0.00334 0.01685 0.04206 -0.03316 0.02538
194 10F 0 0.00041 0.00052 -0.00229 0.00132 -0.00256
195 10F+1 -0.00189 -0.00245 -0.00023 0.00022 0.00051
196 10F-1 0.00109 0.00141 0.00022 0.00002 0.00014
197 10F+2 -0.00090 -0.00091 0.00227 -0.00051 0.00266
198 10F-2 0.00156 0.00157 -0.00314 0.00227 -0.00184
199 10F+3 0.00000 0.00000 0.00060 0.00104 0.00202
200 10F-3 -0.00281 -0.00144 -0.00550 0.00318 -0.00149
201 6 H 1S -0.00626 0.00408 0.00000 -0.01362 -0.01864
202 2S -0.01975 0.02725 0.00000 -0.00188 -0.08615
203 3S -0.54234 0.61350 0.00000 -2.30294 -4.09208
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26 27 28 29 30
(A2U)--V (EG)--V (EG)--V (EU)--V (EU)--V
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240 6PZ 0.02451 0.01105 -0.01914 0.00689 -0.00398
241 7PX 0.76240 0.71022 -0.92606 0.14044 -0.51912
242 7PY -0.44017 -0.10596 0.71022 -0.51912 -0.45899
243 7PZ 0.09228 0.21402 -0.37070 -0.39480 0.22794
244 8D 0 0.00343 0.00043 -0.00074 0.00463 -0.00267
245 8D+1 -0.00091 -0.00033 0.00402 -0.00226 0.00128
246 8D-1 0.00052 0.00363 -0.00033 0.00128 -0.00079
247 8D+2 -0.00025 -0.00166 0.00176 0.00094 0.00629
248 8D-2 0.00044 0.00176 -0.00369 0.00520 0.00094
249 9D 0 -0.05789 -0.01737 0.03009 -0.06158 0.03555
250 9D+1 0.01221 0.02066 -0.04601 -0.01767 0.00939
251 9D-1 -0.00705 -0.02216 0.02066 0.00939 -0.00683
252 9D+2 0.03068 0.03981 -0.02673 -0.01438 -0.07707
253 9D-2 -0.05314 -0.02673 0.07067 -0.06047 -0.01438
254 10F 0 -0.00047 -0.00014 0.00023 0.00141 -0.00082
255 10F+1 -0.00448 -0.00118 0.00215 -0.00918 0.00773
256 10F-1 0.00258 0.00079 -0.00118 0.00773 -0.00025
257 10F+2 -0.00059 0.00245 0.00065 -0.00092 -0.00039
258 10F-2 0.00102 0.00065 0.00170 0.00067 -0.00092
259 10F+3 0.00000 0.00274 0.00158 -0.00496 -0.00859
260 10F-3 -0.00392 -0.00151 0.00261 -0.00675 0.00390
261 8 H 1S -0.01272 -0.01412 -0.02446 -0.00091 -0.00053
262 2S 0.01914 -0.01039 -0.01799 0.10386 0.05996
263 3S 1.80167 1.33966 2.32036 0.37091 0.21415
264 4S 1.66774 1.29398 2.24124 -0.46285 -0.26722
265 5PX -0.00100 -0.00760 -0.00046 0.00312 0.01070
266 5PY -0.00058 0.00831 -0.00760 0.01070 -0.00924
267 5PZ -0.00496 -0.00051 -0.00088 0.00987 0.00570
268 6PX -0.05261 -0.00433 -0.04025 -0.03519 -0.04660
269 6PY -0.03037 -0.03525 -0.00433 -0.04660 0.01862
270 6PZ 0.02451 0.01105 0.01914 -0.00689 -0.00398
271 7PX -0.76240 -0.71022 -0.92606 0.14044 0.51912
272 7PY -0.44017 -0.10596 -0.71022 0.51912 -0.45899
273 7PZ 0.09228 0.21402 0.37070 0.39480 0.22794
274 8D 0 0.00343 0.00043 0.00074 -0.00463 -0.00267
275 8D+1 0.00091 0.00033 0.00402 -0.00226 -0.00128
276 8D-1 0.00052 0.00363 0.00033 -0.00128 -0.00079
277 8D+2 -0.00025 -0.00166 -0.00176 -0.00094 0.00629
278 8D-2 -0.00044 -0.00176 -0.00369 0.00520 -0.00094
279 9D 0 -0.05789 -0.01737 -0.03009 0.06158 0.03555
280 9D+1 -0.01221 -0.02066 -0.04601 -0.01767 -0.00939
281 9D-1 -0.00705 -0.02216 -0.02066 -0.00939 -0.00683
282 9D+2 0.03068 0.03981 0.02673 0.01438 -0.07707
283 9D-2 0.05314 0.02673 0.07067 -0.06047 0.01438
284 10F 0 -0.00047 -0.00014 -0.00023 -0.00141 -0.00082
285 10F+1 0.00448 0.00118 0.00215 -0.00918 -0.00773
286 10F-1 0.00258 0.00079 0.00118 -0.00773 -0.00025
287 10F+2 -0.00059 0.00245 -0.00065 0.00092 -0.00039
288 10F-2 -0.00102 -0.00065 0.00170 0.00067 0.00092
289 10F+3 0.00000 -0.00274 0.00158 -0.00496 0.00859
290 10F-3 -0.00392 -0.00151 -0.00261 0.00675 0.00390
31 32 33 34 35
(A2U)--V (A1G)--V (A1U)--V (EG)--V (EG)--V
Eigenvalues -- 0.65612 0.68620 0.78666 0.78698 0.78698
1 1 C 1S -0.02663 -0.01033 0.00000 0.00000 0.00000
2 2S 0.04175 0.01205 0.00000 0.00000 0.00000
3 3S -0.40734 -0.30546 0.00000 0.00000 0.00000
4 4S 1.79840 0.99318 0.00000 0.00000 0.00000
5 5S 11.08977 4.19814 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.00000 0.03911 0.00000
7 6PY 0.00000 0.00000 0.00000 0.00000 -0.03911
8 6PZ -0.01258 0.03847 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 0.00000 0.08141 0.00000
10 7PY 0.00000 0.00000 0.00000 0.00000 -0.08141
11 7PZ 0.00531 0.09143 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 0.00000 1.31257 0.00000
13 8PY 0.00000 0.00000 0.00000 0.00000 -1.31257
14 8PZ 0.67983 1.19837 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 0.00000 1.99499 0.00000
16 9PY 0.00000 0.00000 0.00000 0.00000 -1.99499
17 9PZ -2.50645 0.40809 0.00000 0.00000 0.00000
18 10D 0 0.00867 0.00871 0.00000 0.00000 0.00000
19 10D+1 0.00000 0.00000 0.00000 -0.01679 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.01679
21 10D+2 0.00000 0.00000 0.00000 0.00000 -0.00036
22 10D-2 0.00000 0.00000 0.00000 0.00036 0.00000
23 11D 0 -0.11555 -0.11443 0.00000 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.12842 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000 -0.12842
26 11D+2 0.00000 0.00000 0.00000 0.00000 0.10222
27 11D-2 0.00000 0.00000 0.00000 -0.10222 0.00000
28 12D 0 -0.75064 -0.05365 0.00000 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 1.04602 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 -1.04602
31 12D+2 0.00000 0.00000 0.00000 0.00000 0.74979
32 12D-2 0.00000 0.00000 0.00000 -0.74979 0.00000
33 13F 0 -0.01056 0.00865 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 0.00000 -0.00458 0.00000
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00458
36 13F+2 0.00000 0.00000 0.00000 0.00000 -0.00272
37 13F-2 0.00000 0.00000 0.00000 0.00272 0.00000
38 13F+3 0.00000 0.00000 -0.00084 0.00000 0.00000
39 13F-3 -0.00168 -0.00390 0.00000 0.00000 0.00000
40 14F 0 -0.13348 -0.18802 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.14295 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 -0.14295
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.18433
44 14F-2 0.00000 0.00000 0.00000 -0.18433 0.00000
45 14F+3 0.00000 0.00000 0.28887 0.00000 0.00000
46 14F-3 -0.29444 -0.19089 0.00000 0.00000 0.00000
47 15G 0 0.01238 -0.00265 0.00000 0.00000 0.00000
48 15G+1 0.00000 0.00000 0.00000 -0.01807 0.00000
49 15G-1 0.00000 0.00000 0.00000 0.00000 0.01807
50 15G+2 0.00000 0.00000 0.00000 0.00000 0.02495
51 15G-2 0.00000 0.00000 0.00000 -0.02495 0.00000
52 15G+3 0.00000 0.00000 0.04286 0.00000 0.00000
53 15G-3 -0.03340 -0.03281 0.00000 0.00000 0.00000
54 15G+4 0.00000 0.00000 0.00000 0.00000 0.00255
55 15G-4 0.00000 0.00000 0.00000 0.00255 0.00000
56 2 C 1S 0.02663 -0.01033 0.00000 0.00000 0.00000
57 2S -0.04175 0.01205 0.00000 0.00000 0.00000
58 3S 0.40734 -0.30546 0.00000 0.00000 0.00000
59 4S -1.79840 0.99318 0.00000 0.00000 0.00000
60 5S -11.08977 4.19814 0.00000 0.00000 0.00000
61 6PX 0.00000 0.00000 0.00000 -0.03911 0.00000
62 6PY 0.00000 0.00000 0.00000 0.00000 0.03911
63 6PZ -0.01258 -0.03847 0.00000 0.00000 0.00000
64 7PX 0.00000 0.00000 0.00000 -0.08141 0.00000
65 7PY 0.00000 0.00000 0.00000 0.00000 0.08141
66 7PZ 0.00531 -0.09143 0.00000 0.00000 0.00000
67 8PX 0.00000 0.00000 0.00000 -1.31257 0.00000
68 8PY 0.00000 0.00000 0.00000 0.00000 1.31257
69 8PZ 0.67983 -1.19837 0.00000 0.00000 0.00000
70 9PX 0.00000 0.00000 0.00000 -1.99499 0.00000
71 9PY 0.00000 0.00000 0.00000 0.00000 1.99499
72 9PZ -2.50645 -0.40809 0.00000 0.00000 0.00000
73 10D 0 -0.00867 0.00871 0.00000 0.00000 0.00000
74 10D+1 0.00000 0.00000 0.00000 -0.01679 0.00000
75 10D-1 0.00000 0.00000 0.00000 0.00000 0.01679
76 10D+2 0.00000 0.00000 0.00000 0.00000 -0.00036
77 10D-2 0.00000 0.00000 0.00000 0.00036 0.00000
78 11D 0 0.11555 -0.11443 0.00000 0.00000 0.00000
79 11D+1 0.00000 0.00000 0.00000 0.12842 0.00000
80 11D-1 0.00000 0.00000 0.00000 0.00000 -0.12842
81 11D+2 0.00000 0.00000 0.00000 0.00000 0.10222
82 11D-2 0.00000 0.00000 0.00000 -0.10222 0.00000
83 12D 0 0.75064 -0.05365 0.00000 0.00000 0.00000
84 12D+1 0.00000 0.00000 0.00000 1.04602 0.00000
85 12D-1 0.00000 0.00000 0.00000 0.00000 -1.04602
86 12D+2 0.00000 0.00000 0.00000 0.00000 0.74979
87 12D-2 0.00000 0.00000 0.00000 -0.74979 0.00000
88 13F 0 -0.01056 -0.00865 0.00000 0.00000 0.00000
89 13F+1 0.00000 0.00000 0.00000 0.00458 0.00000
90 13F-1 0.00000 0.00000 0.00000 0.00000 -0.00458
91 13F+2 0.00000 0.00000 0.00000 0.00000 0.00272
92 13F-2 0.00000 0.00000 0.00000 -0.00272 0.00000
93 13F+3 0.00000 0.00000 -0.00084 0.00000 0.00000
94 13F-3 -0.00168 0.00390 0.00000 0.00000 0.00000
95 14F 0 -0.13348 0.18802 0.00000 0.00000 0.00000
96 14F+1 0.00000 0.00000 0.00000 -0.14295 0.00000
97 14F-1 0.00000 0.00000 0.00000 0.00000 0.14295
98 14F+2 0.00000 0.00000 0.00000 0.00000 -0.18433
99 14F-2 0.00000 0.00000 0.00000 0.18433 0.00000
100 14F+3 0.00000 0.00000 0.28887 0.00000 0.00000
101 14F-3 -0.29444 0.19089 0.00000 0.00000 0.00000
102 15G 0 -0.01238 -0.00265 0.00000 0.00000 0.00000
103 15G+1 0.00000 0.00000 0.00000 -0.01807 0.00000
104 15G-1 0.00000 0.00000 0.00000 0.00000 0.01807
105 15G+2 0.00000 0.00000 0.00000 0.00000 0.02495
106 15G-2 0.00000 0.00000 0.00000 -0.02495 0.00000
107 15G+3 0.00000 0.00000 -0.04286 0.00000 0.00000
108 15G-3 0.03340 -0.03281 0.00000 0.00000 0.00000
109 15G+4 0.00000 0.00000 0.00000 0.00000 0.00255
110 15G-4 0.00000 0.00000 0.00000 0.00255 0.00000
111 3 H 1S -0.01722 -0.02068 0.00000 0.00000 0.00834
112 2S -0.10469 -0.12807 0.00000 0.00000 0.05911
113 3S -2.82064 -1.95788 0.00000 0.00000 2.90935
114 4S -0.02328 -0.38060 0.00000 0.00000 0.30559
115 5PX 0.00000 0.00000 0.02127 -0.00780 0.00000
116 5PY -0.02142 -0.01884 0.00000 0.00000 0.01488
117 5PZ -0.00771 -0.00816 0.00000 0.00000 0.02722
118 6PX 0.00000 0.00000 -0.05010 0.04793 0.00000
119 6PY 0.18571 0.16147 0.00000 0.00000 -0.14779
120 6PZ 0.07802 0.06946 0.00000 0.00000 -0.09595
121 7PX 0.00000 0.00000 0.81752 -0.14866 0.00000
122 7PY 0.27871 0.18903 0.00000 0.00000 -0.69261
123 7PZ 0.39798 -0.04551 0.00000 0.00000 0.70281
124 8D 0 0.00151 0.00163 0.00000 0.00000 -0.00180
125 8D+1 0.00000 0.00000 0.00643 0.00400 0.00000
126 8D-1 -0.00191 -0.00645 0.00000 0.00000 0.00636
127 8D+2 0.00794 0.00479 0.00000 0.00000 -0.00191
128 8D-2 0.00000 0.00000 0.00354 -0.00255 0.00000
129 9D 0 -0.00671 0.01810 0.00000 0.00000 -0.06918
130 9D+1 0.00000 0.00000 -0.07994 -0.02869 0.00000
131 9D-1 -0.06089 -0.00449 0.00000 0.00000 -0.05895
132 9D+2 0.02410 0.03142 0.00000 0.00000 -0.08393
133 9D-2 0.00000 0.00000 -0.11040 -0.00351 0.00000
134 10F 0 -0.00021 0.00189 0.00000 0.00000 -0.00324
135 10F+1 0.00000 0.00000 0.00081 -0.00389 0.00000
136 10F-1 0.00490 -0.00301 0.00000 0.00000 0.01589
137 10F+2 -0.00532 -0.00151 0.00000 0.00000 -0.00809
138 10F-2 0.00000 0.00000 0.01187 0.00280 0.00000
139 10F+3 0.00000 0.00000 -0.01913 -0.00089 0.00000
140 10F-3 -0.00266 -0.00007 0.00000 0.00000 0.00860
141 4 H 1S -0.01722 -0.02068 0.00000 0.00722 -0.00417
142 2S -0.10469 -0.12807 0.00000 0.05119 -0.02956
143 3S -2.82064 -1.95788 0.00000 2.51957 -1.45467
144 4S -0.02328 -0.38060 0.00000 0.26465 -0.15279
145 5PX 0.01855 0.01631 -0.01063 -0.01311 0.00307
146 5PY 0.01071 0.00942 0.01842 -0.00307 0.00957
147 5PZ -0.00771 -0.00816 0.00000 0.02358 -0.01361
148 6PX -0.16083 -0.13983 0.02505 0.12283 -0.04324
149 6PY -0.09286 -0.08073 -0.04339 0.04324 -0.07289
150 6PZ 0.07802 0.06946 0.00000 -0.08310 0.04798
151 7PX -0.24137 -0.16370 -0.40876 0.48229 -0.36428
152 7PY -0.13936 -0.09451 0.70800 0.36428 -0.06166
153 7PZ 0.39798 -0.04551 0.00000 0.60865 -0.35140
154 8D 0 0.00151 0.00163 0.00000 -0.00155 0.00090
155 8D+1 0.00165 0.00559 -0.00322 -0.00377 0.00449
156 8D-1 0.00095 0.00323 0.00557 -0.00449 -0.00141
157 8D+2 -0.00397 -0.00239 0.00306 0.00193 0.00143
158 8D-2 -0.00688 -0.00415 -0.00177 0.00079 -0.00193
159 9D 0 -0.00671 0.01810 0.00000 -0.05991 0.03459
160 9D+1 0.05273 0.00389 0.03997 0.03704 -0.03795
161 9D-1 0.03044 0.00224 -0.06923 0.03795 0.00678
162 9D+2 -0.01205 -0.01571 -0.09561 0.03786 -0.01835
163 9D-2 -0.02087 -0.02721 0.05520 0.06207 -0.03786
164 10F 0 -0.00021 0.00189 0.00000 -0.00281 0.00162
165 10F+1 -0.00424 0.00260 -0.00041 -0.01289 0.00520
166 10F-1 -0.00245 0.00150 0.00070 -0.00520 0.00689
167 10F+2 0.00266 0.00075 0.01028 0.00229 -0.00412
168 10F-2 0.00461 0.00130 -0.00594 0.00677 -0.00229
169 10F+3 0.00000 0.00000 -0.01913 0.00044 0.00077
170 10F-3 -0.00266 -0.00007 0.00000 0.00745 -0.00430
171 5 H 1S -0.01722 -0.02068 0.00000 -0.00722 -0.00417
172 2S -0.10469 -0.12807 0.00000 -0.05119 -0.02956
173 3S -2.82064 -1.95788 0.00000 -2.51957 -1.45467
174 4S -0.02328 -0.38060 0.00000 -0.26465 -0.15279
175 5PX -0.01855 -0.01631 -0.01063 -0.01311 -0.00307
176 5PY 0.01071 0.00942 -0.01842 0.00307 0.00957
177 5PZ -0.00771 -0.00816 0.00000 -0.02358 -0.01361
178 6PX 0.16083 0.13983 0.02505 0.12283 0.04324
179 6PY -0.09286 -0.08073 0.04339 -0.04324 -0.07289
180 6PZ 0.07802 0.06946 0.00000 0.08310 0.04798
181 7PX 0.24137 0.16370 -0.40876 0.48229 0.36428
182 7PY -0.13936 -0.09451 -0.70800 -0.36428 -0.06166
183 7PZ 0.39798 -0.04551 0.00000 -0.60865 -0.35140
184 8D 0 0.00151 0.00163 0.00000 0.00155 0.00090
185 8D+1 -0.00165 -0.00559 -0.00322 -0.00377 -0.00449
186 8D-1 0.00095 0.00323 -0.00557 0.00449 -0.00141
187 8D+2 -0.00397 -0.00239 -0.00306 -0.00193 0.00143
188 8D-2 0.00688 0.00415 -0.00177 0.00079 0.00193
189 9D 0 -0.00671 0.01810 0.00000 0.05991 0.03459
190 9D+1 -0.05273 -0.00389 0.03997 0.03704 0.03795
191 9D-1 0.03044 0.00224 0.06923 -0.03795 0.00678
192 9D+2 -0.01205 -0.01571 0.09561 -0.03786 -0.01835
193 9D-2 0.02087 0.02721 0.05520 0.06207 0.03786
194 10F 0 -0.00021 0.00189 0.00000 0.00281 0.00162
195 10F+1 0.00424 -0.00260 -0.00041 -0.01289 -0.00520
196 10F-1 -0.00245 0.00150 -0.00070 0.00520 0.00689
197 10F+2 0.00266 0.00075 -0.01028 -0.00229 -0.00412
198 10F-2 -0.00461 -0.00130 -0.00594 0.00677 0.00229
199 10F+3 0.00000 0.00000 -0.01913 0.00044 -0.00077
200 10F-3 -0.00266 -0.00007 0.00000 -0.00745 -0.00430
201 6 H 1S 0.01722 -0.02068 0.00000 0.00000 0.00834
202 2S 0.10469 -0.12807 0.00000 0.00000 0.05911
203 3S 2.82064 -1.95788 0.00000 0.00000 2.90935
204 4S 0.02328 -0.38060 0.00000 0.00000 0.30559
205 5PX 0.00000 0.00000 0.02127 0.00780 0.00000
206 5PY -0.02142 0.01884 0.00000 0.00000 -0.01488
207 5PZ -0.00771 0.00816 0.00000 0.00000 -0.02722
208 6PX 0.00000 0.00000 -0.05010 -0.04793 0.00000
209 6PY 0.18571 -0.16147 0.00000 0.00000 0.14779
210 6PZ 0.07802 -0.06946 0.00000 0.00000 0.09595
211 7PX 0.00000 0.00000 0.81752 0.14866 0.00000
212 7PY 0.27871 -0.18903 0.00000 0.00000 0.69261
213 7PZ 0.39798 0.04551 0.00000 0.00000 -0.70281
214 8D 0 -0.00151 0.00163 0.00000 0.00000 -0.00180
215 8D+1 0.00000 0.00000 -0.00643 0.00400 0.00000
216 8D-1 0.00191 -0.00645 0.00000 0.00000 0.00636
217 8D+2 -0.00794 0.00479 0.00000 0.00000 -0.00191
218 8D-2 0.00000 0.00000 -0.00354 -0.00255 0.00000
219 9D 0 0.00671 0.01810 0.00000 0.00000 -0.06918
220 9D+1 0.00000 0.00000 0.07994 -0.02869 0.00000
221 9D-1 0.06089 -0.00449 0.00000 0.00000 -0.05895
222 9D+2 -0.02410 0.03142 0.00000 0.00000 -0.08393
223 9D-2 0.00000 0.00000 0.11040 -0.00351 0.00000
224 10F 0 -0.00021 -0.00189 0.00000 0.00000 0.00324
225 10F+1 0.00000 0.00000 0.00081 0.00389 0.00000
226 10F-1 0.00490 0.00301 0.00000 0.00000 -0.01589
227 10F+2 -0.00532 0.00151 0.00000 0.00000 0.00809
228 10F-2 0.00000 0.00000 0.01187 -0.00280 0.00000
229 10F+3 0.00000 0.00000 -0.01913 0.00089 0.00000
230 10F-3 -0.00266 0.00007 0.00000 0.00000 -0.00860
231 7 H 1S 0.01722 -0.02068 0.00000 -0.00722 -0.00417
232 2S 0.10469 -0.12807 0.00000 -0.05119 -0.02956
233 3S 2.82064 -1.95788 0.00000 -2.51957 -1.45467
234 4S 0.02328 -0.38060 0.00000 -0.26465 -0.15279
235 5PX -0.01855 0.01631 -0.01063 0.01311 0.00307
236 5PY 0.01071 -0.00942 -0.01842 -0.00307 -0.00957
237 5PZ -0.00771 0.00816 0.00000 0.02358 0.01361
238 6PX 0.16083 -0.13983 0.02505 -0.12283 -0.04324
239 6PY -0.09286 0.08073 0.04339 0.04324 0.07289
240 6PZ 0.07802 -0.06946 0.00000 -0.08310 -0.04798
241 7PX 0.24137 -0.16370 -0.40876 -0.48229 -0.36428
242 7PY -0.13936 0.09451 -0.70800 0.36428 0.06166
243 7PZ 0.39798 0.04551 0.00000 0.60865 0.35140
244 8D 0 -0.00151 0.00163 0.00000 0.00155 0.00090
245 8D+1 0.00165 -0.00559 0.00322 -0.00377 -0.00449
246 8D-1 -0.00095 0.00323 0.00557 0.00449 -0.00141
247 8D+2 0.00397 -0.00239 0.00306 -0.00193 0.00143
248 8D-2 -0.00688 0.00415 0.00177 0.00079 0.00193
249 9D 0 0.00671 0.01810 0.00000 0.05991 0.03459
250 9D+1 0.05273 -0.00389 -0.03997 0.03704 0.03795
251 9D-1 -0.03044 0.00224 -0.06923 -0.03795 0.00678
252 9D+2 0.01205 -0.01571 -0.09561 -0.03786 -0.01835
253 9D-2 -0.02087 0.02721 -0.05520 0.06207 0.03786
254 10F 0 -0.00021 -0.00189 0.00000 -0.00281 -0.00162
255 10F+1 0.00424 0.00260 -0.00041 0.01289 0.00520
256 10F-1 -0.00245 -0.00150 -0.00070 -0.00520 -0.00689
257 10F+2 0.00266 -0.00075 -0.01028 0.00229 0.00412
258 10F-2 -0.00461 0.00130 -0.00594 -0.00677 -0.00229
259 10F+3 0.00000 0.00000 -0.01913 -0.00044 0.00077
260 10F-3 -0.00266 0.00007 0.00000 0.00745 0.00430
261 8 H 1S 0.01722 -0.02068 0.00000 0.00722 -0.00417
262 2S 0.10469 -0.12807 0.00000 0.05119 -0.02956
263 3S 2.82064 -1.95788 0.00000 2.51957 -1.45467
264 4S 0.02328 -0.38060 0.00000 0.26465 -0.15279
265 5PX 0.01855 -0.01631 -0.01063 0.01311 -0.00307
266 5PY 0.01071 -0.00942 0.01842 0.00307 -0.00957
267 5PZ -0.00771 0.00816 0.00000 -0.02358 0.01361
268 6PX -0.16083 0.13983 0.02505 -0.12283 0.04324
269 6PY -0.09286 0.08073 -0.04339 -0.04324 0.07289
270 6PZ 0.07802 -0.06946 0.00000 0.08310 -0.04798
271 7PX -0.24137 0.16370 -0.40876 -0.48229 0.36428
272 7PY -0.13936 0.09451 0.70800 -0.36428 0.06166
273 7PZ 0.39798 0.04551 0.00000 -0.60865 0.35140
274 8D 0 -0.00151 0.00163 0.00000 -0.00155 0.00090
275 8D+1 -0.00165 0.00559 0.00322 -0.00377 0.00449
276 8D-1 -0.00095 0.00323 -0.00557 -0.00449 -0.00141
277 8D+2 0.00397 -0.00239 -0.00306 0.00193 0.00143
278 8D-2 0.00688 -0.00415 0.00177 0.00079 -0.00193
279 9D 0 0.00671 0.01810 0.00000 -0.05991 0.03459
280 9D+1 -0.05273 0.00389 -0.03997 0.03704 -0.03795
281 9D-1 -0.03044 0.00224 0.06923 0.03795 0.00678
282 9D+2 0.01205 -0.01571 0.09561 0.03786 -0.01835
283 9D-2 0.02087 -0.02721 -0.05520 0.06207 -0.03786
284 10F 0 -0.00021 -0.00189 0.00000 0.00281 -0.00162
285 10F+1 -0.00424 -0.00260 -0.00041 0.01289 -0.00520
286 10F-1 -0.00245 -0.00150 0.00070 0.00520 -0.00689
287 10F+2 0.00266 -0.00075 0.01028 -0.00229 0.00412
288 10F-2 0.00461 -0.00130 -0.00594 -0.00677 0.00229
289 10F+3 0.00000 0.00000 -0.01913 -0.00044 -0.00077
290 10F-3 -0.00266 0.00007 0.00000 -0.00745 0.00430
36 37 38 39 40
(A1G)--V (EG)--V (EG)--V (A2G)--V (EU)--V
Eigenvalues -- 0.86703 0.87751 0.87751 0.88063 0.91079
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2 2S -0.00906 0.00000 0.00000 0.00000 0.00000
3 3S -0.28933 0.00000 0.00000 0.00000 0.00000
4 4S 1.61869 0.00000 0.00000 0.00000 0.00000
5 5S -1.08504 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.04481 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 -0.04481 0.00000 -0.06743
8 6PZ 0.05794 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 -0.02703 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.02703 0.00000 -0.00421
11 7PZ -0.04004 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 1.52957 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 -1.52957 0.00000 -5.21787
14 8PZ -0.43409 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 1.46527 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 -1.46527 0.00000 -2.83221
17 9PZ 1.83414 0.00000 0.00000 0.00000 0.00000
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19 10D+1 0.00000 -0.00666 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00666 0.00000 0.01487
21 10D+2 0.00000 0.00000 -0.00944 0.00000 -0.00826
22 10D-2 0.00000 0.00944 0.00000 0.00000 0.00000
23 11D 0 0.13833 0.00000 0.00000 0.00000 0.00000
24 11D+1 0.00000 0.06623 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.06623 0.00000 -0.23618
26 11D+2 0.00000 0.00000 0.14777 0.00000 0.28612
27 11D-2 0.00000 -0.14777 0.00000 0.00000 0.00000
28 12D 0 -1.57413 0.00000 0.00000 0.00000 0.00000
29 12D+1 0.00000 0.67094 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 -0.67094 0.00000 -1.87577
31 12D+2 0.00000 0.00000 1.27375 0.00000 2.92652
32 12D-2 0.00000 -1.27375 0.00000 0.00000 0.00000
33 13F 0 -0.02982 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00929 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 -0.00929 0.00000 -0.00295
36 13F+2 0.00000 0.00000 -0.00800 0.00000 0.01052
37 13F-2 0.00000 0.00800 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 -0.00938 0.00000
39 13F-3 0.01099 0.00000 0.00000 0.00000 0.00000
40 14F 0 0.14615 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 -0.27619 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.27619 0.00000 0.15225
43 14F+2 0.00000 0.00000 0.14579 0.00000 0.22321
44 14F-2 0.00000 -0.14579 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.49216 0.00000
46 14F-3 -0.14630 0.00000 0.00000 0.00000 0.00000
47 15G 0 -0.01525 0.00000 0.00000 0.00000 0.00000
48 15G+1 0.00000 -0.01025 0.00000 0.00000 0.00000
49 15G-1 0.00000 0.00000 0.01025 0.00000 0.03753
50 15G+2 0.00000 0.00000 -0.01289 0.00000 -0.01704
51 15G-2 0.00000 0.01289 0.00000 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.05724 0.00000
53 15G-3 -0.01416 0.00000 0.00000 0.00000 0.00000
54 15G+4 0.00000 0.00000 -0.02956 0.00000 -0.04267
55 15G-4 0.00000 -0.02956 0.00000 0.00000 0.00000
56 2 C 1S -0.00631 0.00000 0.00000 0.00000 0.00000
57 2S -0.00906 0.00000 0.00000 0.00000 0.00000
58 3S -0.28933 0.00000 0.00000 0.00000 0.00000
59 4S 1.61869 0.00000 0.00000 0.00000 0.00000
60 5S -1.08504 0.00000 0.00000 0.00000 0.00000
61 6PX 0.00000 -0.04481 0.00000 0.00000 0.00000
62 6PY 0.00000 0.00000 0.04481 0.00000 -0.06743
63 6PZ -0.05794 0.00000 0.00000 0.00000 0.00000
64 7PX 0.00000 0.02703 0.00000 0.00000 0.00000
65 7PY 0.00000 0.00000 -0.02703 0.00000 -0.00421
66 7PZ 0.04004 0.00000 0.00000 0.00000 0.00000
67 8PX 0.00000 -1.52957 0.00000 0.00000 0.00000
68 8PY 0.00000 0.00000 1.52957 0.00000 -5.21787
69 8PZ 0.43409 0.00000 0.00000 0.00000 0.00000
70 9PX 0.00000 -1.46527 0.00000 0.00000 0.00000
71 9PY 0.00000 0.00000 1.46527 0.00000 -2.83221
72 9PZ -1.83414 0.00000 0.00000 0.00000 0.00000
73 10D 0 -0.02835 0.00000 0.00000 0.00000 0.00000
74 10D+1 0.00000 -0.00666 0.00000 0.00000 0.00000
75 10D-1 0.00000 0.00000 0.00666 0.00000 -0.01487
76 10D+2 0.00000 0.00000 -0.00944 0.00000 0.00826
77 10D-2 0.00000 0.00944 0.00000 0.00000 0.00000
78 11D 0 0.13833 0.00000 0.00000 0.00000 0.00000
79 11D+1 0.00000 0.06623 0.00000 0.00000 0.00000
80 11D-1 0.00000 0.00000 -0.06623 0.00000 0.23618
81 11D+2 0.00000 0.00000 0.14777 0.00000 -0.28612
82 11D-2 0.00000 -0.14777 0.00000 0.00000 0.00000
83 12D 0 -1.57413 0.00000 0.00000 0.00000 0.00000
84 12D+1 0.00000 0.67094 0.00000 0.00000 0.00000
85 12D-1 0.00000 0.00000 -0.67094 0.00000 1.87577
86 12D+2 0.00000 0.00000 1.27375 0.00000 -2.92652
87 12D-2 0.00000 -1.27375 0.00000 0.00000 0.00000
88 13F 0 0.02982 0.00000 0.00000 0.00000 0.00000
89 13F+1 0.00000 -0.00929 0.00000 0.00000 0.00000
90 13F-1 0.00000 0.00000 0.00929 0.00000 -0.00295
91 13F+2 0.00000 0.00000 0.00800 0.00000 0.01052
92 13F-2 0.00000 -0.00800 0.00000 0.00000 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00938 0.00000
94 13F-3 -0.01099 0.00000 0.00000 0.00000 0.00000
95 14F 0 -0.14615 0.00000 0.00000 0.00000 0.00000
96 14F+1 0.00000 0.27619 0.00000 0.00000 0.00000
97 14F-1 0.00000 0.00000 -0.27619 0.00000 0.15225
98 14F+2 0.00000 0.00000 -0.14579 0.00000 0.22321
99 14F-2 0.00000 0.14579 0.00000 0.00000 0.00000
100 14F+3 0.00000 0.00000 0.00000 -0.49216 0.00000
101 14F-3 0.14630 0.00000 0.00000 0.00000 0.00000
102 15G 0 -0.01525 0.00000 0.00000 0.00000 0.00000
103 15G+1 0.00000 -0.01025 0.00000 0.00000 0.00000
104 15G-1 0.00000 0.00000 0.01025 0.00000 -0.03753
105 15G+2 0.00000 0.00000 -0.01289 0.00000 0.01704
106 15G-2 0.00000 0.01289 0.00000 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.05724 0.00000
108 15G-3 -0.01416 0.00000 0.00000 0.00000 0.00000
109 15G+4 0.00000 0.00000 -0.02956 0.00000 0.04267
110 15G-4 0.00000 -0.02956 0.00000 0.00000 0.00000
111 3 H 1S 0.01639 0.00000 -0.01310 0.00000 -0.03171
112 2S -0.07794 0.00000 0.16718 0.00000 0.10787
113 3S 0.02670 0.00000 2.58452 0.00000 7.47505
114 4S 0.13826 0.00000 0.01692 0.00000 1.25210
115 5PX 0.00000 -0.01559 0.00000 0.00997 0.00000
116 5PY 0.00062 0.00000 0.03038 0.00000 0.04238
117 5PZ -0.02549 0.00000 -0.00591 0.00000 0.02070
118 6PX 0.00000 0.05903 0.00000 0.02577 0.00000
119 6PY 0.02419 0.00000 -0.23732 0.00000 -0.37592
120 6PZ 0.12583 0.00000 -0.04213 0.00000 -0.18247
121 7PX 0.00000 -0.16433 0.00000 0.91466 0.00000
122 7PY -0.24125 0.00000 0.29632 0.00000 -1.58414
123 7PZ -0.40083 0.00000 -0.68700 0.00000 -0.73048
124 8D 0 -0.00238 0.00000 -0.00737 0.00000 -0.00353
125 8D+1 0.00000 0.00216 0.00000 0.00454 0.00000
126 8D-1 -0.00013 0.00000 0.00317 0.00000 0.00825
127 8D+2 0.00821 0.00000 -0.01339 0.00000 -0.00752
128 8D-2 0.00000 0.00209 0.00000 0.00226 0.00000
129 9D 0 -0.00621 0.00000 0.05813 0.00000 -0.02557
130 9D+1 0.00000 0.01610 0.00000 -0.10191 0.00000
131 9D-1 0.01598 0.00000 0.07733 0.00000 0.10817
132 9D+2 -0.04020 0.00000 0.05977 0.00000 -0.09680
133 9D-2 0.00000 -0.02145 0.00000 -0.15510 0.00000
134 10F 0 0.00680 0.00000 0.00310 0.00000 0.00701
135 10F+1 0.00000 -0.00007 0.00000 0.00296 0.00000
136 10F-1 -0.00175 0.00000 -0.01569 0.00000 -0.00360
137 10F+2 0.00904 0.00000 0.00080 0.00000 0.00351
138 10F-2 0.00000 -0.01000 0.00000 0.01888 0.00000
139 10F+3 0.00000 -0.00189 0.00000 -0.02318 0.00000
140 10F-3 -0.00400 0.00000 -0.01043 0.00000 -0.00148
141 4 H 1S 0.01639 -0.01134 0.00655 0.00000 0.01586
142 2S -0.07794 0.14478 -0.08359 0.00000 -0.05394
143 3S 0.02670 2.23826 -1.29226 0.00000 -3.73752
144 4S 0.13826 0.01465 -0.00846 0.00000 -0.62605
145 5PX -0.00054 -0.02668 0.00640 -0.00499 0.01238
146 5PY -0.00031 -0.00640 0.01929 0.00864 0.02093
147 5PZ -0.02549 -0.00512 0.00296 0.00000 -0.01035
148 6PX -0.02095 0.19275 -0.07720 -0.01288 -0.14424
149 6PY -0.01210 0.07720 -0.10361 0.02231 -0.12609
150 6PZ 0.12583 -0.03648 0.02106 0.00000 0.09124
151 7PX 0.20893 -0.26332 0.05715 -0.45733 -0.80693
152 7PY 0.12063 -0.05715 0.19733 0.79212 -0.18648
153 7PZ -0.40083 -0.59496 0.34350 0.00000 0.36524
154 8D 0 -0.00238 -0.00639 0.00369 0.00000 0.00176
155 8D+1 0.00011 -0.00183 0.00231 -0.00227 0.00681
156 8D-1 0.00007 -0.00231 -0.00083 0.00393 -0.00354
157 8D+2 -0.00411 0.00489 -0.00491 0.00196 0.00001
158 8D-2 -0.00711 0.01056 -0.00489 -0.00113 -0.00435
159 9D 0 -0.00621 0.05034 -0.02906 0.00000 0.01279
160 9D+1 -0.01384 -0.05397 0.04045 0.05095 0.03746
161 9D-1 -0.00799 -0.04045 0.00726 -0.08825 0.04328
162 9D+2 0.02010 -0.01659 0.03103 -0.13432 -0.05642
163 9D-2 0.03482 -0.05019 0.01659 0.07755 -0.02332
164 10F 0 0.00680 0.00268 -0.00155 0.00000 -0.00351
165 10F+1 0.00152 0.01175 -0.00683 -0.00148 -0.00183
166 10F-1 0.00088 0.00683 -0.00387 0.00257 -0.00044
167 10F+2 -0.00452 0.00398 0.00770 0.01635 0.00672
168 10F-2 -0.00783 -0.00310 -0.00398 -0.00944 -0.00185
169 10F+3 0.00000 0.00094 0.00163 -0.02318 -0.00667
170 10F-3 -0.00400 -0.00903 0.00521 0.00000 0.00074
171 5 H 1S 0.01639 0.01134 0.00655 0.00000 0.01586
172 2S -0.07794 -0.14478 -0.08359 0.00000 -0.05394
173 3S 0.02670 -2.23826 -1.29226 0.00000 -3.73752
174 4S 0.13826 -0.01465 -0.00846 0.00000 -0.62605
175 5PX 0.00054 -0.02668 -0.00640 -0.00499 -0.01238
176 5PY -0.00031 0.00640 0.01929 -0.00864 0.02093
177 5PZ -0.02549 0.00512 0.00296 0.00000 -0.01035
178 6PX 0.02095 0.19275 0.07720 -0.01288 0.14424
179 6PY -0.01210 -0.07720 -0.10361 -0.02231 -0.12609
180 6PZ 0.12583 0.03648 0.02106 0.00000 0.09124
181 7PX -0.20893 -0.26332 -0.05715 -0.45733 0.80693
182 7PY 0.12063 0.05715 0.19733 -0.79212 -0.18648
183 7PZ -0.40083 0.59496 0.34350 0.00000 0.36524
184 8D 0 -0.00238 0.00639 0.00369 0.00000 0.00176
185 8D+1 -0.00011 -0.00183 -0.00231 -0.00227 -0.00681
186 8D-1 0.00007 0.00231 -0.00083 -0.00393 -0.00354
187 8D+2 -0.00411 -0.00489 -0.00491 -0.00196 0.00001
188 8D-2 0.00711 0.01056 0.00489 -0.00113 0.00435
189 9D 0 -0.00621 -0.05034 -0.02906 0.00000 0.01279
190 9D+1 0.01384 -0.05397 -0.04045 0.05095 -0.03746
191 9D-1 -0.00799 0.04045 0.00726 0.08825 0.04328
192 9D+2 0.02010 0.01659 0.03103 0.13432 -0.05642
193 9D-2 -0.03482 -0.05019 -0.01659 0.07755 0.02332
194 10F 0 0.00680 -0.00268 -0.00155 0.00000 -0.00351
195 10F+1 -0.00152 0.01175 0.00683 -0.00148 0.00183
196 10F-1 0.00088 -0.00683 -0.00387 -0.00257 -0.00044
197 10F+2 -0.00452 -0.00398 0.00770 -0.01635 0.00672
198 10F-2 0.00783 -0.00310 0.00398 -0.00944 0.00185
199 10F+3 0.00000 0.00094 -0.00163 -0.02318 0.00667
200 10F-3 -0.00400 0.00903 0.00521 0.00000 0.00074
201 6 H 1S 0.01639 0.00000 -0.01310 0.00000 0.03171
202 2S -0.07794 0.00000 0.16718 0.00000 -0.10787
203 3S 0.02670 0.00000 2.58452 0.00000 -7.47505
204 4S 0.13826 0.00000 0.01692 0.00000 -1.25210
205 5PX 0.00000 0.01559 0.00000 -0.00997 0.00000
206 5PY -0.00062 0.00000 -0.03038 0.00000 0.04238
207 5PZ 0.02549 0.00000 0.00591 0.00000 0.02070
208 6PX 0.00000 -0.05903 0.00000 -0.02577 0.00000
209 6PY -0.02419 0.00000 0.23732 0.00000 -0.37592
210 6PZ -0.12583 0.00000 0.04213 0.00000 -0.18247
211 7PX 0.00000 0.16433 0.00000 -0.91466 0.00000
212 7PY 0.24125 0.00000 -0.29632 0.00000 -1.58414
213 7PZ 0.40083 0.00000 0.68700 0.00000 -0.73048
214 8D 0 -0.00238 0.00000 -0.00737 0.00000 0.00353
215 8D+1 0.00000 0.00216 0.00000 0.00454 0.00000
216 8D-1 -0.00013 0.00000 0.00317 0.00000 -0.00825
217 8D+2 0.00821 0.00000 -0.01339 0.00000 0.00752
218 8D-2 0.00000 0.00209 0.00000 0.00226 0.00000
219 9D 0 -0.00621 0.00000 0.05813 0.00000 0.02557
220 9D+1 0.00000 0.01610 0.00000 -0.10191 0.00000
221 9D-1 0.01598 0.00000 0.07733 0.00000 -0.10817
222 9D+2 -0.04020 0.00000 0.05977 0.00000 0.09680
223 9D-2 0.00000 -0.02145 0.00000 -0.15510 0.00000
224 10F 0 -0.00680 0.00000 -0.00310 0.00000 0.00701
225 10F+1 0.00000 0.00007 0.00000 -0.00296 0.00000
226 10F-1 0.00175 0.00000 0.01569 0.00000 -0.00360
227 10F+2 -0.00904 0.00000 -0.00080 0.00000 0.00351
228 10F-2 0.00000 0.01000 0.00000 -0.01888 0.00000
229 10F+3 0.00000 0.00189 0.00000 0.02318 0.00000
230 10F-3 0.00400 0.00000 0.01043 0.00000 -0.00148
231 7 H 1S 0.01639 0.01134 0.00655 0.00000 -0.01586
232 2S -0.07794 -0.14478 -0.08359 0.00000 0.05394
233 3S 0.02670 -2.23826 -1.29226 0.00000 3.73752
234 4S 0.13826 -0.01465 -0.00846 0.00000 0.62605
235 5PX -0.00054 0.02668 0.00640 0.00499 -0.01238
236 5PY 0.00031 -0.00640 -0.01929 0.00864 0.02093
237 5PZ 0.02549 -0.00512 -0.00296 0.00000 -0.01035
238 6PX -0.02095 -0.19275 -0.07720 0.01288 0.14424
239 6PY 0.01210 0.07720 0.10361 0.02231 -0.12609
240 6PZ -0.12583 -0.03648 -0.02106 0.00000 0.09124
241 7PX 0.20893 0.26332 0.05715 0.45733 0.80693
242 7PY -0.12063 -0.05715 -0.19733 0.79212 -0.18648
243 7PZ 0.40083 -0.59496 -0.34350 0.00000 0.36524
244 8D 0 -0.00238 0.00639 0.00369 0.00000 -0.00176
245 8D+1 -0.00011 -0.00183 -0.00231 -0.00227 0.00681
246 8D-1 0.00007 0.00231 -0.00083 -0.00393 0.00354
247 8D+2 -0.00411 -0.00489 -0.00491 -0.00196 -0.00001
248 8D-2 0.00711 0.01056 0.00489 -0.00113 -0.00435
249 9D 0 -0.00621 -0.05034 -0.02906 0.00000 -0.01279
250 9D+1 0.01384 -0.05397 -0.04045 0.05095 0.03746
251 9D-1 -0.00799 0.04045 0.00726 0.08825 -0.04328
252 9D+2 0.02010 0.01659 0.03103 0.13432 0.05642
253 9D-2 -0.03482 -0.05019 -0.01659 0.07755 -0.02332
254 10F 0 -0.00680 0.00268 0.00155 0.00000 -0.00351
255 10F+1 0.00152 -0.01175 -0.00683 0.00148 0.00183
256 10F-1 -0.00088 0.00683 0.00387 0.00257 -0.00044
257 10F+2 0.00452 0.00398 -0.00770 0.01635 0.00672
258 10F-2 -0.00783 0.00310 -0.00398 0.00944 0.00185
259 10F+3 0.00000 -0.00094 0.00163 0.02318 0.00667
260 10F-3 0.00400 -0.00903 -0.00521 0.00000 0.00074
261 8 H 1S 0.01639 -0.01134 0.00655 0.00000 -0.01586
262 2S -0.07794 0.14478 -0.08359 0.00000 0.05394
263 3S 0.02670 2.23826 -1.29226 0.00000 3.73752
264 4S 0.13826 0.01465 -0.00846 0.00000 0.62605
265 5PX 0.00054 0.02668 -0.00640 0.00499 0.01238
266 5PY 0.00031 0.00640 -0.01929 -0.00864 0.02093
267 5PZ 0.02549 0.00512 -0.00296 0.00000 -0.01035
268 6PX 0.02095 -0.19275 0.07720 0.01288 -0.14424
269 6PY 0.01210 -0.07720 0.10361 -0.02231 -0.12609
270 6PZ -0.12583 0.03648 -0.02106 0.00000 0.09124
271 7PX -0.20893 0.26332 -0.05715 0.45733 -0.80693
272 7PY -0.12063 0.05715 -0.19733 -0.79212 -0.18648
273 7PZ 0.40083 0.59496 -0.34350 0.00000 0.36524
274 8D 0 -0.00238 -0.00639 0.00369 0.00000 -0.00176
275 8D+1 0.00011 -0.00183 0.00231 -0.00227 -0.00681
276 8D-1 0.00007 -0.00231 -0.00083 0.00393 0.00354
277 8D+2 -0.00411 0.00489 -0.00491 0.00196 -0.00001
278 8D-2 -0.00711 0.01056 -0.00489 -0.00113 0.00435
279 9D 0 -0.00621 0.05034 -0.02906 0.00000 -0.01279
280 9D+1 -0.01384 -0.05397 0.04045 0.05095 -0.03746
281 9D-1 -0.00799 -0.04045 0.00726 -0.08825 -0.04328
282 9D+2 0.02010 -0.01659 0.03103 -0.13432 0.05642
283 9D-2 0.03482 -0.05019 0.01659 0.07755 0.02332
284 10F 0 -0.00680 -0.00268 0.00155 0.00000 -0.00351
285 10F+1 -0.00152 -0.01175 0.00683 0.00148 -0.00183
286 10F-1 -0.00088 -0.00683 0.00387 -0.00257 -0.00044
287 10F+2 0.00452 -0.00398 -0.00770 -0.01635 0.00672
288 10F-2 0.00783 0.00310 0.00398 0.00944 -0.00185
289 10F+3 0.00000 -0.00094 -0.00163 0.02318 -0.00667
290 10F-3 0.00400 0.00903 -0.00521 0.00000 0.00074
41 42 43 44 45
(EU)--V (EG)--V (EG)--V (A2U)--V (A1G)--V
Eigenvalues -- 0.91079 0.95242 0.95242 0.99114 1.02938
1 1 C 1S 0.00000 0.00000 0.00000 -0.03986 -0.01355
2 2S 0.00000 0.00000 0.00000 0.04400 0.02897
3 3S 0.00000 0.00000 0.00000 -0.50155 -0.05573
4 4S 0.00000 0.00000 0.00000 2.65134 1.44708
5 5S 0.00000 0.00000 0.00000 10.45328 1.09368
6 6PX 0.06743 0.05243 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.05243 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 -0.10889 0.01273
9 7PX 0.00421 0.11676 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.11676 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.10342 0.22321
12 8PX 5.21787 2.11730 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 2.11730 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 -5.08516 1.64743
15 9PX 2.83221 2.47358 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 2.47358 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 -4.59447 1.05719
18 10D 0 0.00000 0.00000 0.00000 -0.05209 -0.00761
19 10D+1 -0.01487 -0.00877 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 -0.00877 0.00000 0.00000
21 10D+2 0.00000 0.00000 -0.01491 0.00000 0.00000
22 10D-2 0.00826 -0.01491 0.00000 0.00000 0.00000
23 11D 0 0.00000 0.00000 0.00000 0.36128 -0.01389
24 11D+1 0.23618 0.12570 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.12570 0.00000 0.00000
26 11D+2 0.00000 0.00000 -0.04074 0.00000 0.00000
27 11D-2 -0.28612 -0.04074 0.00000 0.00000 0.00000
28 12D 0 0.00000 0.00000 0.00000 3.59609 1.68831
29 12D+1 1.87577 -2.41344 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 -2.41344 0.00000 0.00000
31 12D+2 0.00000 0.00000 0.26146 0.00000 0.00000
32 12D-2 -2.92652 0.26146 0.00000 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.01095 0.00101
34 13F+1 0.00295 -0.03218 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 -0.03218 0.00000 0.00000
36 13F+2 0.00000 0.00000 -0.02743 0.00000 0.00000
37 13F-2 -0.01052 -0.02743 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 -0.01400 -0.03206
40 14F 0 0.00000 0.00000 0.00000 -0.39841 -0.09831
41 14F+1 -0.15225 0.25260 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.25260 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.16477 0.00000 0.00000
44 14F-2 -0.22321 0.16477 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.16446 0.30420
47 15G 0 0.00000 0.00000 0.00000 0.04212 -0.02881
48 15G+1 -0.03753 -0.02884 0.00000 0.00000 0.00000
49 15G-1 0.00000 0.00000 -0.02884 0.00000 0.00000
50 15G+2 0.00000 0.00000 0.01430 0.00000 0.00000
51 15G-2 0.01704 0.01430 0.00000 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 0.00000 0.00000 0.00000 0.01187 0.00411
54 15G+4 0.00000 0.00000 0.01566 0.00000 0.00000
55 15G-4 -0.04267 -0.01566 0.00000 0.00000 0.00000
56 2 C 1S 0.00000 0.00000 0.00000 0.03986 -0.01355
57 2S 0.00000 0.00000 0.00000 -0.04400 0.02897
58 3S 0.00000 0.00000 0.00000 0.50155 -0.05573
59 4S 0.00000 0.00000 0.00000 -2.65134 1.44708
60 5S 0.00000 0.00000 0.00000 -10.45328 1.09368
61 6PX 0.06743 -0.05243 0.00000 0.00000 0.00000
62 6PY 0.00000 0.00000 -0.05243 0.00000 0.00000
63 6PZ 0.00000 0.00000 0.00000 -0.10889 -0.01273
64 7PX 0.00421 -0.11676 0.00000 0.00000 0.00000
65 7PY 0.00000 0.00000 -0.11676 0.00000 0.00000
66 7PZ 0.00000 0.00000 0.00000 0.10342 -0.22321
67 8PX 5.21787 -2.11730 0.00000 0.00000 0.00000
68 8PY 0.00000 0.00000 -2.11730 0.00000 0.00000
69 8PZ 0.00000 0.00000 0.00000 -5.08516 -1.64743
70 9PX 2.83221 -2.47358 0.00000 0.00000 0.00000
71 9PY 0.00000 0.00000 -2.47358 0.00000 0.00000
72 9PZ 0.00000 0.00000 0.00000 -4.59447 -1.05719
73 10D 0 0.00000 0.00000 0.00000 0.05209 -0.00761
74 10D+1 0.01487 -0.00877 0.00000 0.00000 0.00000
75 10D-1 0.00000 0.00000 -0.00877 0.00000 0.00000
76 10D+2 0.00000 0.00000 -0.01491 0.00000 0.00000
77 10D-2 -0.00826 -0.01491 0.00000 0.00000 0.00000
78 11D 0 0.00000 0.00000 0.00000 -0.36128 -0.01389
79 11D+1 -0.23618 0.12570 0.00000 0.00000 0.00000
80 11D-1 0.00000 0.00000 0.12570 0.00000 0.00000
81 11D+2 0.00000 0.00000 -0.04074 0.00000 0.00000
82 11D-2 0.28612 -0.04074 0.00000 0.00000 0.00000
83 12D 0 0.00000 0.00000 0.00000 -3.59609 1.68831
84 12D+1 -1.87577 -2.41344 0.00000 0.00000 0.00000
85 12D-1 0.00000 0.00000 -2.41344 0.00000 0.00000
86 12D+2 0.00000 0.00000 0.26146 0.00000 0.00000
87 12D-2 2.92652 0.26146 0.00000 0.00000 0.00000
88 13F 0 0.00000 0.00000 0.00000 0.01095 -0.00101
89 13F+1 0.00295 0.03218 0.00000 0.00000 0.00000
90 13F-1 0.00000 0.00000 0.03218 0.00000 0.00000
91 13F+2 0.00000 0.00000 0.02743 0.00000 0.00000
92 13F-2 -0.01052 0.02743 0.00000 0.00000 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
94 13F-3 0.00000 0.00000 0.00000 -0.01400 0.03206
95 14F 0 0.00000 0.00000 0.00000 -0.39841 0.09831
96 14F+1 -0.15225 -0.25260 0.00000 0.00000 0.00000
97 14F-1 0.00000 0.00000 -0.25260 0.00000 0.00000
98 14F+2 0.00000 0.00000 -0.16477 0.00000 0.00000
99 14F-2 -0.22321 -0.16477 0.00000 0.00000 0.00000
100 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
101 14F-3 0.00000 0.00000 0.00000 0.16446 -0.30420
102 15G 0 0.00000 0.00000 0.00000 -0.04212 -0.02881
103 15G+1 0.03753 -0.02884 0.00000 0.00000 0.00000
104 15G-1 0.00000 0.00000 -0.02884 0.00000 0.00000
105 15G+2 0.00000 0.00000 0.01430 0.00000 0.00000
106 15G-2 -0.01704 0.01430 0.00000 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
108 15G-3 0.00000 0.00000 0.00000 -0.01187 0.00411
109 15G+4 0.00000 0.00000 0.01566 0.00000 0.00000
110 15G-4 0.04267 -0.01566 0.00000 0.00000 0.00000
111 3 H 1S 0.00000 0.00000 -0.00306 -0.02004 -0.00165
112 2S 0.00000 0.00000 0.22072 0.02579 0.21462
113 3S 0.00000 0.00000 -0.68381 0.46717 -0.73333
114 4S 0.00000 0.00000 -0.81537 0.34664 -0.21401
115 5PX -0.01379 -0.01516 0.00000 0.00000 0.00000
116 5PY 0.00000 0.00000 -0.01575 -0.00225 -0.00311
117 5PZ 0.00000 0.00000 -0.00600 -0.00402 -0.01873
118 6PX 0.04281 0.03994 0.00000 0.00000 0.00000
119 6PY 0.00000 0.00000 0.07914 -0.01912 -0.02770
120 6PZ 0.00000 0.00000 -0.00202 0.00388 0.05806
121 7PX -0.27940 -0.74090 0.00000 0.00000 0.00000
122 7PY 0.00000 0.00000 0.24791 -0.05167 1.03366
123 7PZ 0.00000 0.00000 0.77650 -0.55584 -1.03325
124 8D 0 0.00000 0.00000 0.00740 -0.00094 -0.01166
125 8D+1 0.00747 -0.00476 0.00000 0.00000 0.00000
126 8D-1 0.00000 0.00000 0.00651 -0.00256 -0.00596
127 8D+2 0.00000 0.00000 -0.00141 -0.00600 -0.00853
128 8D-2 -0.00252 -0.00101 0.00000 0.00000 0.00000
129 9D 0 0.00000 0.00000 -0.02612 0.03146 0.15039
130 9D+1 -0.02165 0.02861 0.00000 0.00000 0.00000
131 9D-1 0.00000 0.00000 -0.09004 0.02082 0.06314
132 9D+2 0.00000 0.00000 0.09134 0.02524 0.09914
133 9D-2 0.04296 0.08136 0.00000 0.00000 0.00000
134 10F 0 0.00000 0.00000 -0.00108 -0.00449 -0.00740
135 10F+1 -0.00062 0.00370 0.00000 0.00000 0.00000
136 10F-1 0.00000 0.00000 -0.00186 -0.00656 -0.01916
137 10F+2 0.00000 0.00000 -0.00934 -0.00352 0.00010
138 10F-2 -0.00778 -0.00134 0.00000 0.00000 0.00000
139 10F+3 0.00770 0.01834 0.00000 0.00000 0.00000
140 10F-3 0.00000 0.00000 -0.00981 0.00200 -0.00614
141 4 H 1S -0.02746 0.00265 0.00153 -0.02004 -0.00165
142 2S 0.09342 -0.19115 -0.11036 0.02579 0.21462
143 3S 6.47358 0.59220 0.34191 0.46717 -0.73333
144 4S 1.08435 0.70613 0.40768 0.34664 -0.21401
145 5PX -0.03523 -0.01560 -0.00025 0.00195 0.00269
146 5PY -0.01238 -0.00025 -0.01531 0.00113 0.00156
147 5PZ 0.01793 0.00519 0.00300 -0.00402 -0.01873
148 6PX 0.29264 0.06934 0.01697 0.01656 0.02399
149 6PY 0.14424 0.01697 0.04974 0.00956 0.01385
150 6PZ -0.15803 0.00175 0.00101 0.00388 0.05806
151 7PX 1.11825 0.00071 0.42817 0.04475 -0.89518
152 7PY 0.80693 0.42817 -0.49370 0.02584 -0.51683
153 7PZ -0.63262 -0.67247 -0.38825 -0.55584 -1.03325
154 8D 0 -0.00305 -0.00640 -0.00370 -0.00094 -0.01166
155 8D+1 -0.00432 0.00369 0.00488 0.00222 0.00516
156 8D-1 -0.00681 0.00488 -0.00195 0.00128 0.00298
157 8D+2 0.00435 -0.00017 -0.00111 0.00300 0.00426
158 8D-2 0.00501 -0.00131 -0.00017 0.00519 0.00738
159 9D 0 -0.02215 0.02262 0.01306 0.03146 0.15039
160 9D+1 -0.08654 -0.06038 -0.05138 -0.01803 -0.05468
161 9D-1 -0.03746 -0.05138 -0.00106 -0.01041 -0.03157
162 9D+2 0.02332 0.00432 0.08386 -0.01262 -0.04957
163 9D-2 0.08334 0.08885 0.00432 -0.02185 -0.08586
164 10F 0 0.00607 0.00093 0.00054 -0.00449 -0.00740
165 10F+1 0.00255 -0.00047 -0.00240 0.00568 0.01660
166 10F-1 0.00183 -0.00240 0.00231 0.00328 0.00958
167 10F+2 0.00185 -0.00346 -0.00334 0.00176 -0.00005
168 10F-2 -0.00458 -0.00734 -0.00346 0.00305 -0.00009
169 10F+3 -0.00385 -0.00917 0.01589 0.00000 0.00000
170 10F-3 -0.00128 0.00849 0.00490 0.00200 -0.00614
171 5 H 1S 0.02746 -0.00265 0.00153 -0.02004 -0.00165
172 2S -0.09342 0.19115 -0.11036 0.02579 0.21462
173 3S -6.47358 -0.59220 0.34191 0.46717 -0.73333
174 4S -1.08435 -0.70613 0.40768 0.34664 -0.21401
175 5PX -0.03523 -0.01560 0.00025 -0.00195 -0.00269
176 5PY 0.01238 0.00025 -0.01531 0.00113 0.00156
177 5PZ -0.01793 -0.00519 0.00300 -0.00402 -0.01873
178 6PX 0.29264 0.06934 -0.01697 -0.01656 -0.02399
179 6PY -0.14424 -0.01697 0.04974 0.00956 0.01385
180 6PZ 0.15803 -0.00175 0.00101 0.00388 0.05806
181 7PX 1.11825 0.00071 -0.42817 -0.04475 0.89518
182 7PY -0.80693 -0.42817 -0.49370 0.02584 -0.51683
183 7PZ 0.63262 0.67247 -0.38825 -0.55584 -1.03325
184 8D 0 0.00305 0.00640 -0.00370 -0.00094 -0.01166
185 8D+1 -0.00432 0.00369 -0.00488 -0.00222 -0.00516
186 8D-1 0.00681 -0.00488 -0.00195 0.00128 0.00298
187 8D+2 -0.00435 0.00017 -0.00111 0.00300 0.00426
188 8D-2 0.00501 -0.00131 0.00017 -0.00519 -0.00738
189 9D 0 0.02215 -0.02262 0.01306 0.03146 0.15039
190 9D+1 -0.08654 -0.06038 0.05138 0.01803 0.05468
191 9D-1 0.03746 0.05138 -0.00106 -0.01041 -0.03157
192 9D+2 -0.02332 -0.00432 0.08386 -0.01262 -0.04957
193 9D-2 0.08334 0.08885 -0.00432 0.02185 0.08586
194 10F 0 -0.00607 -0.00093 0.00054 -0.00449 -0.00740
195 10F+1 0.00255 -0.00047 0.00240 -0.00568 -0.01660
196 10F-1 -0.00183 0.00240 0.00231 0.00328 0.00958
197 10F+2 -0.00185 0.00346 -0.00334 0.00176 -0.00005
198 10F-2 -0.00458 -0.00734 0.00346 -0.00305 0.00009
199 10F+3 -0.00385 -0.00917 -0.01589 0.00000 0.00000
200 10F-3 0.00128 -0.00849 0.00490 0.00200 -0.00614
201 6 H 1S 0.00000 0.00000 -0.00306 0.02004 -0.00165
202 2S 0.00000 0.00000 0.22072 -0.02579 0.21462
203 3S 0.00000 0.00000 -0.68381 -0.46717 -0.73333
204 4S 0.00000 0.00000 -0.81537 -0.34664 -0.21401
205 5PX -0.01379 0.01516 0.00000 0.00000 0.00000
206 5PY 0.00000 0.00000 0.01575 -0.00225 0.00311
207 5PZ 0.00000 0.00000 0.00600 -0.00402 0.01873
208 6PX 0.04281 -0.03994 0.00000 0.00000 0.00000
209 6PY 0.00000 0.00000 -0.07914 -0.01912 0.02770
210 6PZ 0.00000 0.00000 0.00202 0.00388 -0.05806
211 7PX -0.27940 0.74090 0.00000 0.00000 0.00000
212 7PY 0.00000 0.00000 -0.24791 -0.05167 -1.03366
213 7PZ 0.00000 0.00000 -0.77650 -0.55584 1.03325
214 8D 0 0.00000 0.00000 0.00740 0.00094 -0.01166
215 8D+1 -0.00747 -0.00476 0.00000 0.00000 0.00000
216 8D-1 0.00000 0.00000 0.00651 0.00256 -0.00596
217 8D+2 0.00000 0.00000 -0.00141 0.00600 -0.00853
218 8D-2 0.00252 -0.00101 0.00000 0.00000 0.00000
219 9D 0 0.00000 0.00000 -0.02612 -0.03146 0.15039
220 9D+1 0.02165 0.02861 0.00000 0.00000 0.00000
221 9D-1 0.00000 0.00000 -0.09004 -0.02082 0.06314
222 9D+2 0.00000 0.00000 0.09134 -0.02524 0.09914
223 9D-2 -0.04296 0.08136 0.00000 0.00000 0.00000
224 10F 0 0.00000 0.00000 0.00108 -0.00449 0.00740
225 10F+1 -0.00062 -0.00370 0.00000 0.00000 0.00000
226 10F-1 0.00000 0.00000 0.00186 -0.00656 0.01916
227 10F+2 0.00000 0.00000 0.00934 -0.00352 -0.00010
228 10F-2 -0.00778 0.00134 0.00000 0.00000 0.00000
229 10F+3 0.00770 -0.01834 0.00000 0.00000 0.00000
230 10F-3 0.00000 0.00000 0.00981 0.00200 0.00614
231 7 H 1S -0.02746 -0.00265 0.00153 0.02004 -0.00165
232 2S 0.09342 0.19115 -0.11036 -0.02579 0.21462
233 3S 6.47358 -0.59220 0.34191 -0.46717 -0.73333
234 4S 1.08435 -0.70613 0.40768 -0.34664 -0.21401
235 5PX -0.03523 0.01560 -0.00025 -0.00195 0.00269
236 5PY 0.01238 -0.00025 0.01531 0.00113 -0.00156
237 5PZ -0.01793 0.00519 -0.00300 -0.00402 0.01873
238 6PX 0.29264 -0.06934 0.01697 -0.01656 0.02399
239 6PY -0.14424 0.01697 -0.04974 0.00956 -0.01385
240 6PZ 0.15803 0.00175 -0.00101 0.00388 -0.05806
241 7PX 1.11825 -0.00071 0.42817 -0.04475 -0.89518
242 7PY -0.80693 0.42817 0.49370 0.02584 0.51683
243 7PZ 0.63262 -0.67247 0.38825 -0.55584 1.03325
244 8D 0 -0.00305 0.00640 -0.00370 0.00094 -0.01166
245 8D+1 0.00432 0.00369 -0.00488 0.00222 -0.00516
246 8D-1 -0.00681 -0.00488 -0.00195 -0.00128 0.00298
247 8D+2 0.00435 0.00017 -0.00111 -0.00300 0.00426
248 8D-2 -0.00501 -0.00131 0.00017 0.00519 -0.00738
249 9D 0 -0.02215 -0.02262 0.01306 -0.03146 0.15039
250 9D+1 0.08654 -0.06038 0.05138 -0.01803 0.05468
251 9D-1 -0.03746 0.05138 -0.00106 0.01041 -0.03157
252 9D+2 0.02332 -0.00432 0.08386 0.01262 -0.04957
253 9D-2 -0.08334 0.08885 -0.00432 -0.02185 0.08586
254 10F 0 -0.00607 0.00093 -0.00054 -0.00449 0.00740
255 10F+1 0.00255 0.00047 -0.00240 -0.00568 0.01660
256 10F-1 -0.00183 -0.00240 -0.00231 0.00328 -0.00958
257 10F+2 -0.00185 -0.00346 0.00334 0.00176 0.00005
258 10F-2 -0.00458 0.00734 -0.00346 -0.00305 -0.00009
259 10F+3 -0.00385 0.00917 0.01589 0.00000 0.00000
260 10F-3 0.00128 0.00849 -0.00490 0.00200 0.00614
261 8 H 1S 0.02746 0.00265 0.00153 0.02004 -0.00165
262 2S -0.09342 -0.19115 -0.11036 -0.02579 0.21462
263 3S -6.47358 0.59220 0.34191 -0.46717 -0.73333
264 4S -1.08435 0.70613 0.40768 -0.34664 -0.21401
265 5PX -0.03523 0.01560 0.00025 0.00195 -0.00269
266 5PY -0.01238 0.00025 0.01531 0.00113 -0.00156
267 5PZ 0.01793 -0.00519 -0.00300 -0.00402 0.01873
268 6PX 0.29264 -0.06934 -0.01697 0.01656 -0.02399
269 6PY 0.14424 -0.01697 -0.04974 0.00956 -0.01385
270 6PZ -0.15803 -0.00175 -0.00101 0.00388 -0.05806
271 7PX 1.11825 -0.00071 -0.42817 0.04475 0.89518
272 7PY 0.80693 -0.42817 0.49370 0.02584 0.51683
273 7PZ -0.63262 0.67247 0.38825 -0.55584 1.03325
274 8D 0 0.00305 -0.00640 -0.00370 0.00094 -0.01166
275 8D+1 0.00432 0.00369 0.00488 -0.00222 0.00516
276 8D-1 0.00681 0.00488 -0.00195 -0.00128 0.00298
277 8D+2 -0.00435 -0.00017 -0.00111 -0.00300 0.00426
278 8D-2 -0.00501 -0.00131 -0.00017 -0.00519 0.00738
279 9D 0 0.02215 0.02262 0.01306 -0.03146 0.15039
280 9D+1 0.08654 -0.06038 -0.05138 0.01803 -0.05468
281 9D-1 0.03746 -0.05138 -0.00106 0.01041 -0.03157
282 9D+2 -0.02332 0.00432 0.08386 0.01262 -0.04957
283 9D-2 -0.08334 0.08885 0.00432 0.02185 -0.08586
284 10F 0 0.00607 -0.00093 -0.00054 -0.00449 0.00740
285 10F+1 0.00255 0.00047 0.00240 0.00568 -0.01660
286 10F-1 0.00183 0.00240 -0.00231 0.00328 -0.00958
287 10F+2 0.00185 0.00346 0.00334 0.00176 0.00005
288 10F-2 -0.00458 0.00734 0.00346 0.00305 0.00009
289 10F+3 -0.00385 0.00917 -0.01589 0.00000 0.00000
290 10F-3 -0.00128 -0.00849 -0.00490 0.00200 0.00614
46 47 48 49 50
(A2U)--V (EU)--V (EU)--V (EU)--V (EU)--V
Eigenvalues -- 1.05023 1.08717 1.08717 1.13860 1.13860
1 1 C 1S 0.01055 0.00000 0.00000 0.00000 0.00000
2 2S -0.00710 0.00000 0.00000 0.00000 0.00000
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143 3S -2.83448 0.35540 0.61557 -3.98939 6.90982
144 4S -0.91886 0.81722 1.41547 -0.96711 1.67508
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149 6PY -0.05405 -0.03325 -0.05310 0.03949 0.08644
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153 7PZ -0.78694 -0.93178 -1.61388 0.78809 -1.36501
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156 8D-1 0.00370 0.00308 0.00708 -0.00250 0.00508
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162 9D+2 -0.05163 0.02236 -0.06863 -0.09075 0.12441
163 9D-2 -0.08942 -0.06863 -0.05688 -0.12441 0.23441
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172 2S 0.00390 -0.06849 0.11862 0.00700 0.01213
173 3S -2.83448 0.35540 -0.61557 -3.98939 -6.90982
174 4S -0.91886 0.81722 -1.41547 -0.96711 -1.67508
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179 6PY -0.05405 -0.03325 0.05310 0.03949 -0.08644
180 6PZ 0.09620 0.03906 -0.06766 0.04378 0.07582
181 7PX 1.06726 -0.06411 -0.26667 1.51462 3.01597
182 7PY -0.61618 -0.34070 -0.06411 -1.26703 -1.51462
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192 9D+2 -0.05163 0.02236 0.06863 -0.09075 -0.12441
193 9D-2 0.08942 0.06863 -0.05688 0.12441 0.23441
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198 10F-2 0.00522 0.00587 -0.01698 -0.01090 -0.01763
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223 9D-2 0.00000 0.00000 -0.06198 0.00000 -0.01892
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228 10F-2 0.00000 0.00000 -0.00682 0.00000 0.00125
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230 10F-3 -0.00373 0.01290 0.00000 0.02223 0.00000
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232 2S -0.00390 0.06849 -0.11862 -0.00700 -0.01213
233 3S 2.83448 -0.35540 0.61557 3.98939 6.90982
234 4S 0.91886 -0.81722 1.41547 0.96711 1.67508
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236 5PY 0.00487 -0.00611 -0.00599 -0.01262 0.00927
237 5PZ -0.01792 -0.00912 0.01580 -0.00512 -0.00887
238 6PX 0.09361 0.05310 -0.09456 0.08644 0.06031
239 6PY -0.05405 -0.03325 0.05310 0.03949 -0.08644
240 6PZ 0.09620 0.03906 -0.06766 0.04378 0.07582
241 7PX 1.06726 -0.06411 -0.26667 1.51462 3.01597
242 7PY -0.61618 -0.34070 -0.06411 -1.26703 -1.51462
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258 10F-2 0.00522 0.00587 -0.01698 -0.01090 -0.01763
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267 5PZ -0.01792 -0.00912 -0.01580 -0.00512 0.00887
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270 6PZ 0.09620 0.03906 0.06766 0.04378 -0.07582
271 7PX -1.06726 0.06411 -0.26667 -1.51462 3.01597
272 7PY -0.61618 -0.34070 0.06411 -1.26703 1.51462
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276 8D-1 -0.00370 -0.00308 -0.00708 0.00250 -0.00508
277 8D+2 -0.00121 -0.00185 0.00136 -0.00291 0.00646
278 8D-2 -0.00210 0.00136 -0.00028 -0.00646 0.01037
279 9D 0 -0.13481 -0.08989 -0.15570 -0.04898 0.08484
280 9D+1 0.04788 0.10434 0.16456 -0.11156 0.19444
281 9D-1 0.02765 0.04408 0.10434 -0.06562 0.11156
282 9D+2 0.05163 -0.02236 0.06863 0.09075 -0.12441
283 9D-2 0.08942 0.06863 0.05688 0.12441 -0.23441
284 10F 0 -0.00026 0.00140 0.00243 -0.00714 0.01237
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286 10F-1 0.01019 0.01491 0.01019 0.00268 -0.00374
287 10F+2 -0.00301 -0.01020 -0.00587 0.00504 -0.01090
288 10F-2 -0.00522 -0.00587 -0.01698 0.01090 -0.01763
289 10F+3 0.00000 0.00961 -0.00555 0.00128 0.00074
290 10F-3 -0.00373 -0.00645 -0.01117 -0.01111 0.01925
51 52 53 54 55
(A1G)--V (EG)--V (EG)--V (A2U)--V (EU)--V
Eigenvalues -- 1.18232 1.18812 1.18812 1.21091 1.22538
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2 2S 0.09566 0.00000 0.00000 0.09107 0.00000
3 3S -1.26831 0.00000 0.00000 -1.29013 0.00000
4 4S 13.05477 0.00000 0.00000 12.16895 0.00000
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11 7PZ 0.11170 0.00000 0.00000 0.12416 0.00000
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13 8PY 0.00000 0.00000 -6.28404 0.00000 0.00000
14 8PZ 3.62391 0.00000 0.00000 3.63676 0.00000
15 9PX 0.00000 0.79093 0.00000 0.00000 0.67900
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17 9PZ 0.93696 0.00000 0.00000 0.94918 0.00000
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22 10D-2 0.00000 0.02744 0.00000 0.00000 -0.00493
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66 67 68 69 70
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140 10F-3 -0.00906 0.00000 0.00000 -0.01063 0.00000
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146 5PY -0.00892 -0.03505 -0.01393 0.00977 -0.01337
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150 6PZ -0.10825 -0.18749 0.00000 0.10610 -0.18980
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179 6PY 0.18263 -0.38682 -0.12930 -0.08743 -0.28013
180 6PZ -0.10825 0.18749 0.00000 0.10610 0.18980
181 7PX -1.61525 1.68867 -0.36608 1.08206 0.95832
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186 8D-1 -0.01355 0.00872 0.01361 0.00424 0.00548
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189 9D 0 -0.11690 0.20248 0.00000 0.14279 -0.09709
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193 9D-2 -0.05867 0.24092 0.18062 0.09454 -0.04883
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197 10F+2 -0.00906 -0.00258 -0.03621 -0.00513 -0.00827
198 10F-2 -0.00258 -0.00608 -0.02091 0.00889 -0.01035
199 10F+3 -0.00884 -0.00510 -0.04915 0.00000 0.00252
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222 9D+2 -0.27479 0.00000 0.00000 -0.10917 0.00000
223 9D-2 0.00000 -0.13930 0.36124 0.00000 -0.07934
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226 10F-1 -0.00662 0.00000 0.00000 -0.02194 0.00000
227 10F+2 -0.00459 0.00000 0.00000 0.01027 0.00000
228 10F-2 0.00000 -0.01055 0.04181 0.00000 0.02467
229 10F+3 0.00000 0.01020 -0.04915 0.00000 0.00504
230 10F-3 -0.00906 0.00000 0.00000 -0.01063 0.00000
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232 2S -0.13807 0.23914 0.00000 -0.08954 -0.51536
233 3S -3.86146 6.68824 0.00000 3.08436 -5.42641
234 4S -0.29610 0.51286 0.00000 0.51409 -0.22033
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236 5PY -0.00892 0.03505 0.01393 0.00977 -0.01337
237 5PZ 0.00291 -0.00504 0.00000 -0.00705 0.00883
238 6PX -0.38682 0.62930 -0.07465 0.15144 -0.60358
239 6PY 0.18263 -0.38682 -0.12930 -0.08743 0.28013
240 6PZ -0.10825 0.18749 0.00000 0.10610 -0.18980
241 7PX -1.61525 1.68867 -0.36608 1.08206 -0.95832
242 7PY -0.17647 -1.61525 -0.63406 -0.62473 0.43744
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253 9D-2 0.05867 -0.24092 -0.18062 -0.09454 -0.04883
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258 10F-2 -0.00258 -0.00608 -0.02091 0.00889 0.01035
259 10F+3 -0.00884 -0.00510 -0.04915 0.00000 -0.00252
260 10F-3 0.00453 -0.00785 0.00000 -0.01063 -0.01854
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262 2S -0.13807 -0.23914 0.00000 -0.08954 0.51536
263 3S -3.86146 -6.68824 0.00000 3.08436 5.42641
264 4S -0.29610 -0.51286 0.00000 0.51409 0.22033
265 5PX -0.03505 -0.04939 0.00804 0.01692 0.04013
266 5PY -0.00892 -0.03505 -0.01393 0.00977 0.01337
267 5PZ 0.00291 0.00504 0.00000 -0.00705 -0.00883
268 6PX 0.38682 0.62930 -0.07465 -0.15144 -0.60358
269 6PY 0.18263 0.38682 0.12930 -0.08743 -0.28013
270 6PZ -0.10825 -0.18749 0.00000 0.10610 0.18980
271 7PX 1.61525 1.68867 -0.36608 -1.08206 -0.95832
272 7PY -0.17647 1.61525 0.63406 -0.62473 -0.43744
273 7PZ -0.22680 -0.39283 0.00000 -0.07987 1.15115
274 8D 0 -0.00269 -0.00467 0.00000 0.00400 -0.01468
275 8D+1 0.00872 0.02362 -0.00786 -0.00734 -0.00756
276 8D-1 0.01355 0.00872 0.01361 -0.00424 -0.00548
277 8D+2 0.00392 -0.01247 0.00099 0.00271 0.00949
278 8D-2 -0.01247 -0.01048 -0.00057 0.00470 0.02518
279 9D 0 0.11690 0.20248 0.00000 -0.14279 0.09709
280 9D+1 0.06661 0.01439 -0.02587 0.06492 -0.18740
281 9D-1 -0.06253 0.06661 0.04480 0.03748 -0.13015
282 9D+2 -0.17317 -0.05867 0.31284 0.05458 0.01762
283 9D-2 -0.05867 -0.24092 -0.18062 0.09454 -0.04883
284 10F 0 0.00757 0.01310 0.00000 0.00527 -0.00474
285 10F+1 -0.00014 -0.00654 0.00146 0.01900 -0.02271
286 10F-1 -0.00637 -0.00014 -0.00254 0.01097 -0.01732
287 10F+2 -0.00906 0.00258 0.03621 -0.00513 -0.00827
288 10F-2 0.00258 -0.00608 -0.02091 -0.00889 0.01035
289 10F+3 0.00884 -0.00510 -0.04915 0.00000 -0.00252
290 10F-3 0.00453 0.00785 0.00000 -0.01063 0.01854
71 72 73 74 75
(EG)--V (A1G)--V (EG)--V (EG)--V (EU)--V
Eigenvalues -- 2.02025 2.04059 2.07237 2.07237 2.11595
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22 10D-2 0.00000 0.00000 -0.01358 0.00000 0.00000
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26 11D+2 0.35746 0.00000 0.00000 0.37023 -0.17971
27 11D-2 0.00000 0.00000 -0.37023 0.00000 0.00000
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29 12D+1 0.00000 0.00000 1.88724 0.00000 0.00000
30 12D-1 -1.09947 0.00000 0.00000 -1.88724 -0.37688
31 12D+2 2.46251 0.00000 0.00000 -0.39223 2.95903
32 12D-2 0.00000 0.00000 0.39223 0.00000 0.00000
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34 13F+1 0.00000 0.00000 -0.00571 0.00000 0.00000
35 13F-1 -0.01877 0.00000 0.00000 0.00571 0.00530
36 13F+2 -0.01675 0.00000 0.00000 0.05130 0.00053
37 13F-2 0.00000 0.00000 -0.05130 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.02745 0.00000 0.00000 0.00000
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42 14F-1 0.90148 0.00000 0.00000 0.51048 0.13724
43 14F+2 0.60487 0.00000 0.00000 -0.82674 0.24453
44 14F-2 0.00000 0.00000 0.82674 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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50 15G+2 -0.03088 0.00000 0.00000 -0.07216 -0.03114
51 15G-2 0.00000 0.00000 0.07216 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 0.00000 -0.04238 0.00000 0.00000 0.00000
54 15G+4 -0.09095 0.00000 0.00000 -0.09674 -0.01728
55 15G-4 0.00000 0.00000 -0.09674 0.00000 0.00000
56 2 C 1S 0.00000 0.02308 0.00000 0.00000 0.00000
57 2S 0.00000 -0.08725 0.00000 0.00000 0.00000
58 3S 0.00000 -0.94538 0.00000 0.00000 0.00000
59 4S 0.00000 3.51153 0.00000 0.00000 0.00000
60 5S 0.00000 0.29717 0.00000 0.00000 0.00000
61 6PX 0.00000 0.00000 0.07578 0.00000 0.00000
62 6PY -0.07897 0.00000 0.00000 -0.07578 0.05106
63 6PZ 0.00000 -0.05690 0.00000 0.00000 0.00000
64 7PX 0.00000 0.00000 0.20370 0.00000 0.00000
65 7PY -0.62219 0.00000 0.00000 -0.20370 0.42297
66 7PZ 0.00000 0.21594 0.00000 0.00000 0.00000
67 8PX 0.00000 0.00000 -5.15488 0.00000 0.00000
68 8PY 5.74365 0.00000 0.00000 5.15488 -3.54586
69 8PZ 0.00000 -0.12634 0.00000 0.00000 0.00000
70 9PX 0.00000 0.00000 -0.29485 0.00000 0.00000
71 9PY 1.31511 0.00000 0.00000 0.29485 -1.06134
72 9PZ 0.00000 -0.91691 0.00000 0.00000 0.00000
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74 10D+1 0.00000 0.00000 0.00500 0.00000 0.00000
75 10D-1 0.05776 0.00000 0.00000 -0.00500 -0.04173
76 10D+2 -0.07624 0.00000 0.00000 0.01358 0.01759
77 10D-2 0.00000 0.00000 -0.01358 0.00000 0.00000
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79 11D+1 0.00000 0.00000 0.12830 0.00000 0.00000
80 11D-1 -0.21187 0.00000 0.00000 -0.12830 0.54485
81 11D+2 0.35746 0.00000 0.00000 0.37023 0.17971
82 11D-2 0.00000 0.00000 -0.37023 0.00000 0.00000
83 12D 0 0.00000 -1.99922 0.00000 0.00000 0.00000
84 12D+1 0.00000 0.00000 1.88724 0.00000 0.00000
85 12D-1 -1.09947 0.00000 0.00000 -1.88724 0.37688
86 12D+2 2.46251 0.00000 0.00000 -0.39223 -2.95903
87 12D-2 0.00000 0.00000 0.39223 0.00000 0.00000
88 13F 0 0.00000 0.05932 0.00000 0.00000 0.00000
89 13F+1 0.00000 0.00000 0.00571 0.00000 0.00000
90 13F-1 0.01877 0.00000 0.00000 -0.00571 0.00530
91 13F+2 0.01675 0.00000 0.00000 -0.05130 0.00053
92 13F-2 0.00000 0.00000 0.05130 0.00000 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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98 14F+2 -0.60487 0.00000 0.00000 0.82674 0.24453
99 14F-2 0.00000 0.00000 -0.82674 0.00000 0.00000
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102 15G 0 0.00000 -0.00013 0.00000 0.00000 0.00000
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76 77 78 79 80
(EU)--V (A2G)--V (EG)--V (EG)--V (A2U)--V
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145 5PX -0.00737 0.00439 -0.02207 0.01267 -0.00369
146 5PY 0.01290 -0.00737 0.03823 -0.01094 -0.01267
147 5PZ -0.00328 -0.00568 0.00000 0.00410 -0.00710
148 6PX 0.00000 -0.10407 0.16788 -0.03036 -0.07999
149 6PY -0.10408 0.00000 -0.29077 0.11505 0.03036
150 6PZ 0.01592 0.02758 0.00000 -0.06796 0.11771
151 7PX 0.51295 0.45651 -0.24840 -1.33939 1.52174
152 7PY -0.13579 0.51295 0.43024 0.02485 1.33939
153 7PZ 0.63015 1.09145 0.00000 1.08447 -1.87836
154 8D 0 0.01973 0.03418 0.00000 -0.00663 0.01148
155 8D+1 0.00991 -0.00188 -0.02487 -0.02806 0.01849
156 8D-1 -0.01332 0.00991 0.04307 0.01391 0.02806
157 8D+2 -0.00621 0.00362 0.00998 -0.00445 -0.00111
158 8D-2 0.00362 -0.00203 -0.00576 0.00111 0.00317
159 9D 0 -0.30683 -0.53144 0.00000 0.01742 -0.03017
160 9D+1 0.04816 0.19177 0.21000 0.42292 -0.43463
161 9D-1 0.13616 0.04816 -0.36373 -0.05372 -0.42292
162 9D+2 0.05361 0.10984 -0.14470 -0.15921 -0.01868
163 9D-2 0.10984 0.18044 0.08354 0.01868 0.13765
164 10F 0 0.00249 0.00431 0.00000 -0.01237 0.02142
165 10F+1 -0.02962 -0.05353 0.00010 -0.00901 0.02824
166 10F-1 -0.01933 -0.02962 -0.00018 -0.01783 0.00901
167 10F+2 0.01656 -0.00098 0.00685 0.02281 -0.01972
168 10F-2 -0.00098 0.01542 -0.00395 0.01972 -0.04558
169 10F+3 -0.01275 0.00736 -0.02716 -0.02137 -0.01234
170 10F-3 0.02644 0.04579 0.00000 -0.00915 0.01585
171 5 H 1S 0.00056 -0.00098 0.00000 -0.00107 -0.00186
172 2S -0.10189 0.17648 0.00000 0.24013 0.41592
173 3S -0.97970 1.69690 0.00000 -2.61373 -4.52711
174 4S -0.31688 0.54885 0.00000 -0.70677 -1.22416
175 5PX 0.00737 0.00439 -0.02207 -0.01267 -0.00369
176 5PY 0.01290 0.00737 -0.03823 -0.01094 0.01267
177 5PZ -0.00328 0.00568 0.00000 0.00410 0.00710
178 6PX 0.00000 -0.10407 0.16788 0.03036 -0.07999
179 6PY -0.10408 0.00000 0.29077 0.11505 -0.03036
180 6PZ 0.01592 -0.02758 0.00000 -0.06796 -0.11771
181 7PX -0.51295 0.45651 -0.24840 1.33939 1.52174
182 7PY -0.13579 -0.51295 -0.43024 0.02485 -1.33939
183 7PZ 0.63015 -1.09145 0.00000 1.08447 1.87836
184 8D 0 0.01973 -0.03418 0.00000 -0.00663 -0.01148
185 8D+1 -0.00991 -0.00188 -0.02487 0.02806 0.01849
186 8D-1 -0.01332 -0.00991 -0.04307 0.01391 -0.02806
187 8D+2 -0.00621 -0.00362 -0.00998 -0.00445 0.00111
188 8D-2 -0.00362 -0.00203 -0.00576 -0.00111 0.00317
189 9D 0 -0.30683 0.53144 0.00000 0.01742 0.03017
190 9D+1 -0.04816 0.19177 0.21000 -0.42292 -0.43463
191 9D-1 0.13616 -0.04816 0.36373 -0.05372 0.42292
192 9D+2 0.05361 -0.10984 0.14470 -0.15921 0.01868
193 9D-2 -0.10984 0.18044 0.08354 -0.01868 0.13765
194 10F 0 0.00249 -0.00431 0.00000 -0.01237 -0.02142
195 10F+1 0.02962 -0.05353 0.00010 0.00901 0.02824
196 10F-1 -0.01933 0.02962 0.00018 -0.01783 -0.00901
197 10F+2 0.01656 0.00098 -0.00685 0.02281 0.01972
198 10F-2 0.00098 0.01542 -0.00395 -0.01972 -0.04558
199 10F+3 0.01275 0.00736 -0.02716 0.02137 -0.01234
200 10F-3 0.02644 -0.04579 0.00000 -0.00915 -0.01585
201 6 H 1S 0.00113 0.00000 0.00000 -0.00215 0.00000
202 2S -0.20378 0.00000 0.00000 0.48026 0.00000
203 3S -1.95941 0.00000 0.00000 -5.22745 0.00000
204 4S -0.63376 0.00000 0.00000 -1.41354 0.00000
205 5PX 0.00000 0.01715 0.04415 0.00000 0.01825
206 5PY 0.00014 0.00000 0.00000 0.01100 0.00000
207 5PZ 0.00656 0.00000 0.00000 -0.00820 0.00000
208 6PX 0.00000 -0.10408 -0.33575 0.00000 -0.13258
209 6PY -0.10407 0.00000 0.00000 0.06246 0.00000
210 6PZ -0.03185 0.00000 0.00000 0.13592 0.00000
211 7PX 0.00000 -0.43195 0.49680 0.00000 -0.79814
212 7PY 0.75267 0.00000 0.00000 -2.29504 0.00000
213 7PZ -1.26029 0.00000 0.00000 -2.16895 0.00000
214 8D 0 0.03947 0.00000 0.00000 -0.01325 0.00000
215 8D+1 0.00000 0.01904 -0.04973 0.00000 0.03011
216 8D-1 -0.00385 0.00000 0.00000 0.03469 0.00000
217 8D+2 -0.00006 0.00000 0.00000 0.00253 0.00000
218 8D-2 0.00000 0.00830 -0.01152 0.00000 -0.00510
219 9D 0 -0.61365 0.00000 0.00000 0.03483 0.00000
220 9D+1 0.00000 -0.10835 0.42000 0.00000 -0.29790
221 9D-1 -0.21958 0.00000 0.00000 -0.67880 0.00000
222 9D+2 -0.24386 0.00000 0.00000 0.12686 0.00000
223 9D-2 0.00000 0.00981 0.16709 0.00000 -0.16999
224 10F 0 -0.00498 0.00000 0.00000 0.02473 0.00000
225 10F+1 0.00000 -0.00222 -0.00021 0.00000 0.01263
226 10F-1 -0.07064 0.00000 0.00000 -0.03345 0.00000
227 10F+2 0.01485 0.00000 0.00000 0.05696 0.00000
228 10F-2 0.00000 0.01713 0.00790 0.00000 -0.01142
229 10F+3 0.00000 -0.01472 -0.02716 0.00000 0.02468
230 10F-3 -0.05287 0.00000 0.00000 0.01830 0.00000
231 7 H 1S -0.00056 0.00098 0.00000 0.00107 0.00186
232 2S 0.10189 -0.17648 0.00000 -0.24013 -0.41592
233 3S 0.97970 -1.69690 0.00000 2.61373 4.52711
234 4S 0.31688 -0.54885 0.00000 0.70677 1.22416
235 5PX 0.00737 0.00439 -0.02207 -0.01267 -0.00369
236 5PY 0.01290 0.00737 -0.03823 -0.01094 0.01267
237 5PZ -0.00328 0.00568 0.00000 0.00410 0.00710
238 6PX 0.00000 -0.10407 0.16788 0.03036 -0.07999
239 6PY -0.10408 0.00000 0.29077 0.11505 -0.03036
240 6PZ 0.01592 -0.02758 0.00000 -0.06796 -0.11771
241 7PX -0.51295 0.45651 -0.24840 1.33939 1.52174
242 7PY -0.13579 -0.51295 -0.43024 0.02485 -1.33939
243 7PZ 0.63015 -1.09145 0.00000 1.08447 1.87836
244 8D 0 -0.01973 0.03418 0.00000 0.00663 0.01148
245 8D+1 0.00991 0.00188 0.02487 -0.02806 -0.01849
246 8D-1 0.01332 0.00991 0.04307 -0.01391 0.02806
247 8D+2 0.00621 0.00362 0.00998 0.00445 -0.00111
248 8D-2 0.00362 0.00203 0.00576 0.00111 -0.00317
249 9D 0 0.30683 -0.53144 0.00000 -0.01742 -0.03017
250 9D+1 0.04816 -0.19177 -0.21000 0.42292 0.43463
251 9D-1 -0.13616 0.04816 -0.36373 0.05372 -0.42292
252 9D+2 -0.05361 0.10984 -0.14470 0.15921 -0.01868
253 9D-2 0.10984 -0.18044 -0.08354 0.01868 -0.13765
254 10F 0 0.00249 -0.00431 0.00000 -0.01237 -0.02142
255 10F+1 0.02962 -0.05353 0.00010 0.00901 0.02824
256 10F-1 -0.01933 0.02962 0.00018 -0.01783 -0.00901
257 10F+2 0.01656 0.00098 -0.00685 0.02281 0.01972
258 10F-2 0.00098 0.01542 -0.00395 -0.01972 -0.04558
259 10F+3 0.01275 0.00736 -0.02716 0.02137 -0.01234
260 10F-3 0.02644 -0.04579 0.00000 -0.00915 -0.01585
261 8 H 1S -0.00056 -0.00098 0.00000 0.00107 -0.00186
262 2S 0.10189 0.17648 0.00000 -0.24013 0.41592
263 3S 0.97970 1.69690 0.00000 2.61373 -4.52711
264 4S 0.31688 0.54885 0.00000 0.70677 -1.22416
265 5PX -0.00737 0.00439 -0.02207 0.01267 -0.00369
266 5PY 0.01290 -0.00737 0.03823 -0.01094 -0.01267
267 5PZ -0.00328 -0.00568 0.00000 0.00410 -0.00710
268 6PX 0.00000 -0.10407 0.16788 -0.03036 -0.07999
269 6PY -0.10408 0.00000 -0.29077 0.11505 0.03036
270 6PZ 0.01592 0.02758 0.00000 -0.06796 0.11771
271 7PX 0.51295 0.45651 -0.24840 -1.33939 1.52174
272 7PY -0.13579 0.51295 0.43024 0.02485 1.33939
273 7PZ 0.63015 1.09145 0.00000 1.08447 -1.87836
274 8D 0 -0.01973 -0.03418 0.00000 0.00663 -0.01148
275 8D+1 -0.00991 0.00188 0.02487 0.02806 -0.01849
276 8D-1 0.01332 -0.00991 -0.04307 -0.01391 -0.02806
277 8D+2 0.00621 -0.00362 -0.00998 0.00445 0.00111
278 8D-2 -0.00362 0.00203 0.00576 -0.00111 -0.00317
279 9D 0 0.30683 0.53144 0.00000 -0.01742 0.03017
280 9D+1 -0.04816 -0.19177 -0.21000 -0.42292 0.43463
281 9D-1 -0.13616 -0.04816 0.36373 0.05372 0.42292
282 9D+2 -0.05361 -0.10984 0.14470 0.15921 0.01868
283 9D-2 -0.10984 -0.18044 -0.08354 -0.01868 -0.13765
284 10F 0 0.00249 0.00431 0.00000 -0.01237 0.02142
285 10F+1 -0.02962 -0.05353 0.00010 -0.00901 0.02824
286 10F-1 -0.01933 -0.02962 -0.00018 -0.01783 0.00901
287 10F+2 0.01656 -0.00098 0.00685 0.02281 -0.01972
288 10F-2 -0.00098 0.01542 -0.00395 0.01972 -0.04558
289 10F+3 -0.01275 0.00736 -0.02716 -0.02137 -0.01234
290 10F-3 0.02644 0.04579 0.00000 -0.00915 0.01585
86 87 88 89 90
(A2U)--V (EG)--V (EG)--V (A1G)--V (A2G)--V
Eigenvalues -- 2.38808 2.39960 2.39960 2.41755 2.43882
1 1 C 1S -0.05136 0.00000 0.00000 0.06368 0.00000
2 2S 0.09765 0.00000 0.00000 -0.16942 0.00000
3 3S -0.03329 0.00000 0.00000 -1.71619 0.00000
4 4S 0.55815 0.00000 0.00000 9.51258 0.00000
5 5S 1.98278 0.00000 0.00000 3.47194 0.00000
6 6PX 0.00000 -0.05970 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.05970 0.00000 0.00000
8 6PZ -0.03101 0.00000 0.00000 -0.06311 0.00000
9 7PX 0.00000 -0.05221 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.05221 0.00000 0.00000
11 7PZ -0.50464 0.00000 0.00000 -0.21515 0.00000
12 8PX 0.00000 2.44724 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 -2.44724 0.00000 0.00000
14 8PZ 0.11547 0.00000 0.00000 3.71678 0.00000
15 9PX 0.00000 0.83043 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 -0.83043 0.00000 0.00000
17 9PZ -0.00440 0.00000 0.00000 1.12984 0.00000
18 10D 0 -0.02216 0.00000 0.00000 -0.03390 0.00000
19 10D+1 0.00000 0.01860 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 -0.01860 0.00000 0.00000
21 10D+2 0.00000 0.00000 -0.00301 0.00000 0.00000
22 10D-2 0.00000 0.00301 0.00000 0.00000 0.00000
23 11D 0 0.41624 0.00000 0.00000 0.17966 0.00000
24 11D+1 0.00000 0.01466 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.01466 0.00000 0.00000
26 11D+2 0.00000 0.00000 0.27836 0.00000 0.00000
27 11D-2 0.00000 -0.27836 0.00000 0.00000 0.00000
28 12D 0 0.99822 0.00000 0.00000 -0.19366 0.00000
29 12D+1 0.00000 1.45283 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 -1.45283 0.00000 0.00000
31 12D+2 0.00000 0.00000 -0.17568 0.00000 0.00000
32 12D-2 0.00000 0.17568 0.00000 0.00000 0.00000
33 13F 0 0.06637 0.00000 0.00000 -0.09747 0.00000
34 13F+1 0.00000 -0.02097 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.02097 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.02445 0.00000 0.00000
37 13F-2 0.00000 -0.02445 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 -0.01026
39 13F-3 0.05168 0.00000 0.00000 -0.08946 0.00000
40 14F 0 -1.12749 0.00000 0.00000 0.24792 0.00000
41 14F+1 0.00000 0.16773 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 -0.16773 0.00000 0.00000
43 14F+2 0.00000 0.00000 -0.14894 0.00000 0.00000
44 14F-2 0.00000 0.14894 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 -0.54578
46 14F-3 -0.36008 0.00000 0.00000 0.70201 0.00000
47 15G 0 -0.02478 0.00000 0.00000 -0.09567 0.00000
48 15G+1 0.00000 -0.03507 0.00000 0.00000 0.00000
49 15G-1 0.00000 0.00000 0.03507 0.00000 0.00000
50 15G+2 0.00000 0.00000 -0.03036 0.00000 0.00000
51 15G-2 0.00000 0.03036 0.00000 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 -0.04560
53 15G-3 -0.08274 0.00000 0.00000 -0.01658 0.00000
54 15G+4 0.00000 0.00000 0.03888 0.00000 0.00000
55 15G-4 0.00000 0.03888 0.00000 0.00000 0.00000
56 2 C 1S 0.05136 0.00000 0.00000 0.06368 0.00000
57 2S -0.09765 0.00000 0.00000 -0.16942 0.00000
58 3S 0.03329 0.00000 0.00000 -1.71619 0.00000
59 4S -0.55815 0.00000 0.00000 9.51258 0.00000
60 5S -1.98278 0.00000 0.00000 3.47194 0.00000
61 6PX 0.00000 0.05970 0.00000 0.00000 0.00000
62 6PY 0.00000 0.00000 -0.05970 0.00000 0.00000
63 6PZ -0.03101 0.00000 0.00000 0.06311 0.00000
64 7PX 0.00000 0.05221 0.00000 0.00000 0.00000
65 7PY 0.00000 0.00000 -0.05221 0.00000 0.00000
66 7PZ -0.50464 0.00000 0.00000 0.21515 0.00000
67 8PX 0.00000 -2.44724 0.00000 0.00000 0.00000
68 8PY 0.00000 0.00000 2.44724 0.00000 0.00000
69 8PZ 0.11547 0.00000 0.00000 -3.71678 0.00000
70 9PX 0.00000 -0.83043 0.00000 0.00000 0.00000
71 9PY 0.00000 0.00000 0.83043 0.00000 0.00000
72 9PZ -0.00440 0.00000 0.00000 -1.12984 0.00000
73 10D 0 0.02216 0.00000 0.00000 -0.03390 0.00000
74 10D+1 0.00000 0.01860 0.00000 0.00000 0.00000
75 10D-1 0.00000 0.00000 -0.01860 0.00000 0.00000
76 10D+2 0.00000 0.00000 -0.00301 0.00000 0.00000
77 10D-2 0.00000 0.00301 0.00000 0.00000 0.00000
78 11D 0 -0.41624 0.00000 0.00000 0.17966 0.00000
79 11D+1 0.00000 0.01466 0.00000 0.00000 0.00000
80 11D-1 0.00000 0.00000 -0.01466 0.00000 0.00000
81 11D+2 0.00000 0.00000 0.27836 0.00000 0.00000
82 11D-2 0.00000 -0.27836 0.00000 0.00000 0.00000
83 12D 0 -0.99822 0.00000 0.00000 -0.19366 0.00000
84 12D+1 0.00000 1.45283 0.00000 0.00000 0.00000
85 12D-1 0.00000 0.00000 -1.45283 0.00000 0.00000
86 12D+2 0.00000 0.00000 -0.17568 0.00000 0.00000
87 12D-2 0.00000 0.17568 0.00000 0.00000 0.00000
88 13F 0 0.06637 0.00000 0.00000 0.09747 0.00000
89 13F+1 0.00000 0.02097 0.00000 0.00000 0.00000
90 13F-1 0.00000 0.00000 -0.02097 0.00000 0.00000
91 13F+2 0.00000 0.00000 -0.02445 0.00000 0.00000
92 13F-2 0.00000 0.02445 0.00000 0.00000 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000 0.01026
94 13F-3 0.05168 0.00000 0.00000 0.08946 0.00000
95 14F 0 -1.12749 0.00000 0.00000 -0.24792 0.00000
96 14F+1 0.00000 -0.16773 0.00000 0.00000 0.00000
97 14F-1 0.00000 0.00000 0.16773 0.00000 0.00000
98 14F+2 0.00000 0.00000 0.14894 0.00000 0.00000
99 14F-2 0.00000 -0.14894 0.00000 0.00000 0.00000
100 14F+3 0.00000 0.00000 0.00000 0.00000 0.54578
101 14F-3 -0.36008 0.00000 0.00000 -0.70201 0.00000
102 15G 0 0.02478 0.00000 0.00000 -0.09567 0.00000
103 15G+1 0.00000 -0.03507 0.00000 0.00000 0.00000
104 15G-1 0.00000 0.00000 0.03507 0.00000 0.00000
105 15G+2 0.00000 0.00000 -0.03036 0.00000 0.00000
106 15G-2 0.00000 0.03036 0.00000 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 -0.04560
108 15G-3 0.08274 0.00000 0.00000 -0.01658 0.00000
109 15G+4 0.00000 0.00000 0.03888 0.00000 0.00000
110 15G-4 0.00000 0.03888 0.00000 0.00000 0.00000
111 3 H 1S 0.01431 0.00000 -0.00019 0.00690 0.00000
112 2S -0.53164 0.00000 -0.13124 0.53727 0.00000
113 3S 0.15230 0.00000 3.04815 -4.12525 0.00000
114 4S -0.16654 0.00000 0.43748 -0.42586 0.00000
115 5PX 0.00000 -0.00672 0.00000 0.00000 0.00208
116 5PY 0.02924 0.00000 0.01441 -0.03752 0.00000
117 5PZ -0.00862 0.00000 -0.00627 -0.03002 0.00000
118 6PX 0.00000 0.05838 0.00000 0.00000 0.00830
119 6PY 0.03000 0.00000 -0.03773 0.11196 0.00000
120 6PZ 0.19902 0.00000 0.05744 0.21721 0.00000
121 7PX 0.00000 -0.67976 0.00000 0.00000 -0.37033
122 7PY 0.00453 0.00000 -1.42070 1.98511 0.00000
123 7PZ -0.72068 0.00000 -0.18225 -0.07922 0.00000
124 8D 0 0.01505 0.00000 0.05244 -0.01268 0.00000
125 8D+1 0.00000 0.03327 0.00000 0.00000 -0.05994
126 8D-1 -0.02125 0.00000 -0.04124 -0.01379 0.00000
127 8D+2 -0.00226 0.00000 -0.02884 -0.01582 0.00000
128 8D-2 0.00000 -0.01073 0.00000 0.00000 0.00194
129 9D 0 -0.05946 0.00000 -0.47282 0.28108 0.00000
130 9D+1 0.00000 -0.30208 0.00000 0.00000 0.57244
131 9D-1 0.27332 0.00000 0.43446 0.10414 0.00000
132 9D+2 0.03685 0.00000 0.14977 0.36995 0.00000
133 9D-2 0.00000 0.08275 0.00000 0.00000 0.12668
134 10F 0 0.00343 0.00000 0.00965 -0.00853 0.00000
135 10F+1 0.00000 0.01818 0.00000 0.00000 -0.00186
136 10F-1 -0.02318 0.00000 -0.00042 -0.04475 0.00000
137 10F+2 0.03312 0.00000 0.01745 -0.00449 0.00000
138 10F-2 0.00000 0.01059 0.00000 0.00000 -0.00902
139 10F+3 0.00000 -0.00042 0.00000 0.00000 0.02386
140 10F-3 0.00814 0.00000 0.01010 -0.02884 0.00000
141 4 H 1S 0.01431 -0.00016 0.00009 0.00690 0.00000
142 2S -0.53164 -0.11366 0.06562 0.53727 0.00000
143 3S 0.15230 2.63977 -1.52407 -4.12525 0.00000
144 4S -0.16654 0.37887 -0.21874 -0.42586 0.00000
145 5PX -0.02532 -0.01249 0.00333 0.03249 -0.00104
146 5PY -0.01462 -0.00333 0.00864 0.01876 0.00181
147 5PZ -0.00862 -0.00543 0.00313 -0.03002 0.00000
148 6PX -0.02598 0.04289 0.00894 -0.09696 -0.00415
149 6PY -0.01500 -0.00894 -0.05322 -0.05598 0.00719
150 6PZ 0.19902 0.04975 -0.02872 0.21721 0.00000
151 7PX -0.00393 0.89558 -0.90952 -1.71916 0.18516
152 7PY -0.00227 0.90952 0.15464 -0.99255 -0.32071
153 7PZ -0.72068 -0.15783 0.09112 -0.07922 0.00000
154 8D 0 0.01505 0.04541 -0.02622 -0.01268 0.00000
155 8D+1 0.01840 0.03925 -0.00345 0.01194 0.02997
156 8D-1 0.01062 0.00345 -0.03526 0.00690 -0.05191
157 8D+2 0.00113 0.01713 0.00084 0.00791 0.00168
158 8D-2 0.00196 0.01895 -0.01713 0.01370 -0.00097
159 9D 0 -0.05946 -0.40948 0.23641 0.28108 0.00000
160 9D+1 -0.23670 -0.40136 0.05732 -0.09019 -0.28622
161 9D-1 -0.13666 -0.05732 0.33517 -0.05207 0.49575
162 9D+2 -0.01843 -0.10068 -0.02462 -0.18497 0.10971
163 9D-2 -0.03192 -0.09164 0.10068 -0.32038 -0.06334
164 10F 0 0.00343 0.00836 -0.00483 -0.00853 0.00000
165 10F+1 0.02008 0.00486 0.00769 0.03875 0.00093
166 10F-1 0.01159 -0.00769 -0.01374 0.02237 -0.00161
167 10F+2 -0.01656 -0.01214 -0.00358 0.00225 -0.00781
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282 9D+2 0.01843 -0.10068 -0.02462 -0.18497 0.10971
283 9D-2 0.03192 -0.09164 0.10068 -0.32038 -0.06334
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288 10F-2 -0.02868 0.01044 -0.01214 -0.00389 -0.00451
289 10F+3 0.00000 -0.00021 -0.00037 0.00000 -0.02386
290 10F-3 0.00814 -0.00874 0.00505 0.02884 0.00000
91 92 93 94 95
(EU)--V (EU)--V (EG)--V (EG)--V (A1G)--V
Eigenvalues -- 2.53464 2.53464 2.61333 2.61333 2.66434
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96 97 98 99 100
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101 102 103 104 105
(EU)--V (EU)--V (A2U)--V (EG)--V (EG)--V
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221 9D-1 0.61705 0.00000 0.43063 0.00000 -0.37098
222 9D+2 -0.05664 0.00000 -0.32579 0.00000 0.06733
223 9D-2 0.00000 -0.02563 0.00000 0.57471 0.00000
224 10F 0 -0.00458 0.00000 -0.02154 0.00000 0.00891
225 10F+1 0.00000 -0.00382 0.00000 -0.00786 0.00000
226 10F-1 0.01325 0.00000 0.02832 0.00000 -0.02046
227 10F+2 -0.01591 0.00000 -0.02499 0.00000 0.01335
228 10F-2 0.00000 0.00995 0.00000 0.02005 0.00000
229 10F+3 0.00000 -0.02131 0.00000 -0.01791 0.00000
230 10F-3 0.00662 0.00000 -0.01883 0.00000 -0.02359
231 7 H 1S 0.00552 -0.00956 -0.03489 0.00706 -0.00408
232 2S -0.25479 0.44131 0.65281 0.18713 -0.10804
233 3S -1.63373 2.82970 3.05736 -1.79053 1.03376
234 4S -0.21063 0.36482 0.29222 -0.64387 0.37174
235 5PX 0.00804 0.00743 -0.01696 -0.00720 0.02891
236 5PY 0.01672 0.00804 0.00979 0.02891 0.02619
237 5PZ 0.00211 -0.00365 0.01798 -0.03466 0.02001
238 6PX -0.07466 -0.08016 0.33458 0.19780 -0.34623
239 6PY -0.16637 -0.07466 -0.19317 -0.34623 -0.20199
240 6PZ -0.00217 0.00376 -0.14021 0.31739 -0.18324
241 7PX -0.52437 1.16997 1.15205 -0.42920 0.90745
242 7PY 0.56448 -0.52437 -0.66513 0.90745 0.61863
243 7PZ -0.22128 0.38327 1.24449 -0.29974 0.17306
244 8D 0 -0.00398 0.00690 -0.04189 0.00921 -0.00532
245 8D+1 -0.00056 -0.04481 -0.01013 0.03056 -0.00411
246 8D-1 -0.04545 -0.00056 0.00585 -0.00411 0.02582
247 8D+2 0.00699 0.00481 -0.00407 -0.00807 -0.04091
248 8D-2 0.00481 0.00144 0.00706 -0.03160 -0.00807
249 9D 0 0.01820 -0.03152 0.38862 -0.25220 0.14561
250 9D+1 -0.05813 0.58348 0.37294 -0.32497 0.07970
251 9D-1 0.51636 -0.05813 -0.21532 0.07970 -0.23294
252 9D+2 -0.03338 0.01343 0.16290 0.21970 0.44786
253 9D-2 0.01343 -0.04889 -0.28215 0.19417 0.21970
254 10F 0 0.00229 -0.00397 -0.02154 0.00771 -0.00445
255 10F+1 -0.00739 0.00898 0.02453 -0.01731 0.00545
256 10F-1 0.00045 -0.00739 -0.01416 0.00545 -0.01101
257 10F+2 0.00349 0.01120 0.01250 0.00290 0.01837
258 10F-2 0.01120 -0.00944 -0.02164 0.01502 0.00290
259 10F+3 0.01845 0.01065 0.00000 0.00895 0.01551
260 10F-3 -0.00331 0.00573 -0.01883 -0.02043 0.01180
261 8 H 1S 0.00552 0.00956 -0.03489 -0.00706 -0.00408
262 2S -0.25479 -0.44131 0.65281 -0.18713 -0.10804
263 3S -1.63373 -2.82970 3.05736 1.79053 1.03376
264 4S -0.21063 -0.36482 0.29222 0.64387 0.37174
265 5PX -0.00804 0.00743 0.01696 -0.00720 -0.02891
266 5PY 0.01672 -0.00804 0.00979 -0.02891 0.02619
267 5PZ 0.00211 0.00365 0.01798 0.03466 0.02001
268 6PX 0.07466 -0.08016 -0.33458 0.19780 0.34623
269 6PY -0.16637 0.07466 -0.19317 0.34623 -0.20199
270 6PZ -0.00217 -0.00376 -0.14021 -0.31739 -0.18324
271 7PX 0.52437 1.16997 -1.15205 -0.42920 -0.90745
272 7PY 0.56448 0.52437 -0.66513 -0.90745 0.61863
273 7PZ -0.22128 -0.38327 1.24449 0.29974 0.17306
274 8D 0 -0.00398 -0.00690 -0.04189 -0.00921 -0.00532
275 8D+1 0.00056 -0.04481 0.01013 0.03056 0.00411
276 8D-1 -0.04545 0.00056 0.00585 0.00411 0.02582
277 8D+2 0.00699 -0.00481 -0.00407 0.00807 -0.04091
278 8D-2 -0.00481 0.00144 -0.00706 -0.03160 0.00807
279 9D 0 0.01820 0.03152 0.38862 0.25220 0.14561
280 9D+1 0.05813 0.58348 -0.37294 -0.32497 -0.07970
281 9D-1 0.51636 0.05813 -0.21532 -0.07970 -0.23294
282 9D+2 -0.03338 -0.01343 0.16290 -0.21970 0.44786
283 9D-2 -0.01343 -0.04889 0.28215 0.19417 -0.21970
284 10F 0 0.00229 0.00397 -0.02154 -0.00771 -0.00445
285 10F+1 0.00739 0.00898 -0.02453 -0.01731 -0.00545
286 10F-1 0.00045 0.00739 -0.01416 -0.00545 -0.01101
287 10F+2 0.00349 -0.01120 0.01250 -0.00290 0.01837
288 10F-2 -0.01120 -0.00944 0.02164 0.01502 -0.00290
289 10F+3 -0.01845 0.01065 0.00000 0.00895 -0.01551
290 10F-3 -0.00331 -0.00573 -0.01883 0.02043 0.01180
106 107 108 109 110
(A1G)--V (EG)--V (EG)--V (A1G)--V (A1U)--V
Eigenvalues -- 2.88998 2.91236 2.91236 3.05239 3.08333
1 1 C 1S 0.00874 0.00000 0.00000 0.04875 0.00000
2 2S -0.07328 0.00000 0.00000 -0.10286 0.00000
3 3S -1.04624 0.00000 0.00000 -0.76665 0.00000
4 4S 2.51282 0.00000 0.00000 3.22707 0.00000
5 5S 2.06789 0.00000 0.00000 2.69755 0.00000
6 6PX 0.00000 0.00000 0.01546 0.00000 0.00000
7 6PY 0.00000 0.01546 0.00000 0.00000 0.00000
8 6PZ 0.07344 0.00000 0.00000 0.10352 0.00000
9 7PX 0.00000 0.00000 -0.37187 0.00000 0.00000
10 7PY 0.00000 -0.37187 0.00000 0.00000 0.00000
11 7PZ -0.19444 0.00000 0.00000 1.09873 0.00000
12 8PX 0.00000 0.00000 2.94306 0.00000 0.00000
13 8PY 0.00000 2.94306 0.00000 0.00000 0.00000
14 8PZ 0.69848 0.00000 0.00000 0.12035 0.00000
15 9PX 0.00000 0.00000 0.90959 0.00000 0.00000
16 9PY 0.00000 0.90959 0.00000 0.00000 0.00000
17 9PZ -0.64955 0.00000 0.00000 -0.39445 0.00000
18 10D 0 0.03772 0.00000 0.00000 0.06166 0.00000
19 10D+1 0.00000 0.00000 -0.03533 0.00000 0.00000
20 10D-1 0.00000 -0.03533 0.00000 0.00000 0.00000
21 10D+2 0.00000 -0.03793 0.00000 0.00000 0.00000
22 10D-2 0.00000 0.00000 -0.03793 0.00000 0.00000
23 11D 0 -0.20813 0.00000 0.00000 -0.42021 0.00000
24 11D+1 0.00000 0.00000 0.03645 0.00000 0.00000
25 11D-1 0.00000 0.03645 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.35999 0.00000 0.00000 0.00000
27 11D-2 0.00000 0.00000 0.35999 0.00000 0.00000
28 12D 0 -0.08643 0.00000 0.00000 1.21265 0.00000
29 12D+1 0.00000 0.00000 -0.87787 0.00000 0.00000
30 12D-1 0.00000 -0.87787 0.00000 0.00000 0.00000
31 12D+2 0.00000 0.58142 0.00000 0.00000 0.00000
32 12D-2 0.00000 0.00000 0.58142 0.00000 0.00000
33 13F 0 -0.04030 0.00000 0.00000 0.02990 0.00000
34 13F+1 0.00000 0.00000 -0.03590 0.00000 0.00000
35 13F-1 0.00000 -0.03590 0.00000 0.00000 0.00000
36 13F+2 0.00000 0.03627 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.03627 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 -0.05510
39 13F-3 -0.01085 0.00000 0.00000 -0.02900 0.00000
40 14F 0 0.35939 0.00000 0.00000 -0.50932 0.00000
41 14F+1 0.00000 0.00000 0.75545 0.00000 0.00000
42 14F-1 0.00000 0.75545 0.00000 0.00000 0.00000
43 14F+2 0.00000 -0.28370 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 -0.28370 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.37180
46 14F-3 -0.42028 0.00000 0.00000 -0.43873 0.00000
47 15G 0 0.01789 0.00000 0.00000 0.00608 0.00000
48 15G+1 0.00000 0.00000 -0.06784 0.00000 0.00000
49 15G-1 0.00000 -0.06784 0.00000 0.00000 0.00000
50 15G+2 0.00000 -0.05854 0.00000 0.00000 0.00000
51 15G-2 0.00000 0.00000 -0.05854 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 -0.06797
53 15G-3 -0.05794 0.00000 0.00000 0.00719 0.00000
54 15G+4 0.00000 0.08358 0.00000 0.00000 0.00000
55 15G-4 0.00000 0.00000 -0.08358 0.00000 0.00000
56 2 C 1S 0.00874 0.00000 0.00000 0.04875 0.00000
57 2S -0.07328 0.00000 0.00000 -0.10286 0.00000
58 3S -1.04624 0.00000 0.00000 -0.76665 0.00000
59 4S 2.51282 0.00000 0.00000 3.22707 0.00000
60 5S 2.06789 0.00000 0.00000 2.69755 0.00000
61 6PX 0.00000 0.00000 -0.01546 0.00000 0.00000
62 6PY 0.00000 -0.01546 0.00000 0.00000 0.00000
63 6PZ -0.07344 0.00000 0.00000 -0.10352 0.00000
64 7PX 0.00000 0.00000 0.37187 0.00000 0.00000
65 7PY 0.00000 0.37187 0.00000 0.00000 0.00000
66 7PZ 0.19444 0.00000 0.00000 -1.09873 0.00000
67 8PX 0.00000 0.00000 -2.94306 0.00000 0.00000
68 8PY 0.00000 -2.94306 0.00000 0.00000 0.00000
69 8PZ -0.69848 0.00000 0.00000 -0.12035 0.00000
70 9PX 0.00000 0.00000 -0.90959 0.00000 0.00000
71 9PY 0.00000 -0.90959 0.00000 0.00000 0.00000
72 9PZ 0.64955 0.00000 0.00000 0.39445 0.00000
73 10D 0 0.03772 0.00000 0.00000 0.06166 0.00000
74 10D+1 0.00000 0.00000 -0.03533 0.00000 0.00000
75 10D-1 0.00000 -0.03533 0.00000 0.00000 0.00000
76 10D+2 0.00000 -0.03793 0.00000 0.00000 0.00000
77 10D-2 0.00000 0.00000 -0.03793 0.00000 0.00000
78 11D 0 -0.20813 0.00000 0.00000 -0.42021 0.00000
79 11D+1 0.00000 0.00000 0.03645 0.00000 0.00000
80 11D-1 0.00000 0.03645 0.00000 0.00000 0.00000
81 11D+2 0.00000 0.35999 0.00000 0.00000 0.00000
82 11D-2 0.00000 0.00000 0.35999 0.00000 0.00000
83 12D 0 -0.08643 0.00000 0.00000 1.21265 0.00000
84 12D+1 0.00000 0.00000 -0.87787 0.00000 0.00000
85 12D-1 0.00000 -0.87787 0.00000 0.00000 0.00000
86 12D+2 0.00000 0.58142 0.00000 0.00000 0.00000
87 12D-2 0.00000 0.00000 0.58142 0.00000 0.00000
88 13F 0 0.04030 0.00000 0.00000 -0.02990 0.00000
89 13F+1 0.00000 0.00000 0.03590 0.00000 0.00000
90 13F-1 0.00000 0.03590 0.00000 0.00000 0.00000
91 13F+2 0.00000 -0.03627 0.00000 0.00000 0.00000
92 13F-2 0.00000 0.00000 -0.03627 0.00000 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000 -0.05510
94 13F-3 0.01085 0.00000 0.00000 0.02900 0.00000
95 14F 0 -0.35939 0.00000 0.00000 0.50932 0.00000
96 14F+1 0.00000 0.00000 -0.75545 0.00000 0.00000
97 14F-1 0.00000 -0.75545 0.00000 0.00000 0.00000
98 14F+2 0.00000 0.28370 0.00000 0.00000 0.00000
99 14F-2 0.00000 0.00000 0.28370 0.00000 0.00000
100 14F+3 0.00000 0.00000 0.00000 0.00000 0.37180
101 14F-3 0.42028 0.00000 0.00000 0.43873 0.00000
102 15G 0 0.01789 0.00000 0.00000 0.00608 0.00000
103 15G+1 0.00000 0.00000 -0.06784 0.00000 0.00000
104 15G-1 0.00000 -0.06784 0.00000 0.00000 0.00000
105 15G+2 0.00000 -0.05854 0.00000 0.00000 0.00000
106 15G-2 0.00000 0.00000 -0.05854 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.06797
108 15G-3 -0.05794 0.00000 0.00000 0.00719 0.00000
109 15G+4 0.00000 0.08358 0.00000 0.00000 0.00000
110 15G-4 0.00000 0.00000 -0.08358 0.00000 0.00000
111 3 H 1S 0.00248 0.00516 0.00000 0.02686 0.00000
112 2S 0.07150 -0.43677 0.00000 -0.04771 0.00000
113 3S -1.74021 -0.07878 0.00000 -1.81668 0.00000
114 4S -0.09732 -0.33164 0.00000 -0.35764 0.00000
115 5PX 0.00000 0.00000 -0.01574 0.00000 -0.05049
116 5PY -0.03907 0.00054 0.00000 0.00560 0.00000
117 5PZ 0.02870 0.01789 0.00000 -0.00165 0.00000
118 6PX 0.00000 0.00000 0.19081 0.00000 0.38960
119 6PY 0.47610 0.13288 0.00000 -0.00027 0.00000
120 6PZ -0.18140 -0.13510 0.00000 0.05147 0.00000
121 7PX 0.00000 0.00000 -1.10027 0.00000 -0.42838
122 7PY 0.08958 0.06446 0.00000 1.04647 0.00000
123 7PZ 0.71581 -0.11095 0.00000 0.47931 0.00000
124 8D 0 0.04817 0.00160 0.00000 0.02145 0.00000
125 8D+1 0.00000 0.00000 -0.06440 0.00000 0.01983
126 8D-1 -0.02990 0.00038 0.00000 0.00512 0.00000
127 8D+2 0.00829 0.02032 0.00000 -0.03880 0.00000
128 8D-2 0.00000 0.00000 -0.04134 0.00000 -0.05152
129 9D 0 -0.45937 0.18175 0.00000 -0.19986 0.00000
130 9D+1 0.00000 0.00000 0.68642 0.00000 -0.21596
131 9D-1 0.14792 0.14680 0.00000 -0.22763 0.00000
132 9D+2 0.00521 -0.07122 0.00000 0.48603 0.00000
133 9D-2 0.00000 0.00000 0.58733 0.00000 0.50921
134 10F 0 0.00253 0.03744 0.00000 -0.02770 0.00000
135 10F+1 0.00000 0.00000 0.01707 0.00000 -0.01438
136 10F-1 0.00849 -0.02557 0.00000 0.01258 0.00000
137 10F+2 -0.01464 0.01466 0.00000 -0.01446 0.00000
138 10F-2 0.00000 0.00000 -0.02769 0.00000 -0.00793
139 10F+3 0.00000 0.00000 0.04041 0.00000 -0.00025
140 10F-3 -0.00132 0.00723 0.00000 -0.00541 0.00000
141 4 H 1S 0.00248 -0.00258 -0.00447 0.02686 0.00000
142 2S 0.07150 0.21839 0.37825 -0.04771 0.00000
143 3S -1.74021 0.03939 0.06822 -1.81668 0.00000
144 4S -0.09732 0.16582 0.28721 -0.35764 0.00000
145 5PX 0.03383 0.00705 -0.00353 -0.00485 0.02525
146 5PY 0.01953 -0.01167 0.00705 -0.00280 -0.04373
147 5PZ 0.02870 -0.00895 -0.01550 -0.00165 0.00000
148 6PX -0.41232 -0.02509 0.14736 0.00024 -0.19480
149 6PY -0.23805 0.17633 -0.02509 0.00014 0.33740
150 6PZ -0.18140 0.06755 0.11700 0.05147 0.00000
151 7PX -0.07758 0.50435 -0.22672 -0.90627 0.21419
152 7PY -0.04479 -0.80909 0.50435 -0.52323 -0.37099
153 7PZ 0.71581 0.05547 0.09609 0.47931 0.00000
154 8D 0 0.04817 -0.00080 -0.00138 0.02145 0.00000
155 8D+1 0.02589 0.02805 -0.01581 -0.00443 -0.00992
156 8D-1 0.01495 -0.04820 0.02805 -0.00256 0.01718
157 8D+2 -0.00414 -0.02592 0.02670 0.01940 -0.04462
158 8D-2 -0.00718 0.02670 0.00491 0.03361 0.02576
159 9D 0 -0.45937 -0.09088 -0.15740 -0.19986 0.00000
160 9D+1 -0.12810 -0.23366 0.28171 0.19713 0.10798
161 9D-1 -0.07396 0.55152 -0.23366 0.11381 -0.18703
162 9D+2 -0.00260 0.42269 -0.28516 -0.24302 0.44099
163 9D-2 -0.00451 -0.28516 0.09342 -0.42092 -0.25460
164 10F 0 0.00253 -0.01872 -0.03243 -0.02770 0.00000
165 10F+1 -0.00735 -0.01847 -0.01491 -0.01089 0.00719
166 10F-1 -0.00424 0.00641 -0.01847 -0.00629 -0.01245
167 10F+2 0.00732 -0.01711 0.01834 0.00723 -0.00686
168 10F-2 0.01268 0.01834 0.00407 0.01252 0.00396
169 10F+3 0.00000 0.03499 -0.02020 0.00000 -0.00025
170 10F-3 -0.00132 -0.00361 -0.00626 -0.00541 0.00000
171 5 H 1S 0.00248 -0.00258 0.00447 0.02686 0.00000
172 2S 0.07150 0.21839 -0.37825 -0.04771 0.00000
173 3S -1.74021 0.03939 -0.06822 -1.81668 0.00000
174 4S -0.09732 0.16582 -0.28721 -0.35764 0.00000
175 5PX -0.03383 -0.00705 -0.00353 0.00485 0.02525
176 5PY 0.01953 -0.01167 -0.00705 -0.00280 0.04373
177 5PZ 0.02870 -0.00895 0.01550 -0.00165 0.00000
178 6PX 0.41232 0.02509 0.14736 -0.00024 -0.19480
179 6PY -0.23805 0.17633 0.02509 0.00014 -0.33740
180 6PZ -0.18140 0.06755 -0.11700 0.05147 0.00000
181 7PX 0.07758 -0.50435 -0.22672 0.90627 0.21419
182 7PY -0.04479 -0.80909 -0.50435 -0.52323 0.37099
183 7PZ 0.71581 0.05547 -0.09609 0.47931 0.00000
184 8D 0 0.04817 -0.00080 0.00138 0.02145 0.00000
185 8D+1 -0.02589 -0.02805 -0.01581 0.00443 -0.00992
186 8D-1 0.01495 -0.04820 -0.02805 -0.00256 -0.01718
187 8D+2 -0.00414 -0.02592 -0.02670 0.01940 0.04462
188 8D-2 0.00718 -0.02670 0.00491 -0.03361 0.02576
189 9D 0 -0.45937 -0.09088 0.15740 -0.19986 0.00000
190 9D+1 0.12810 0.23366 0.28171 -0.19713 0.10798
191 9D-1 -0.07396 0.55152 0.23366 0.11381 0.18703
192 9D+2 -0.00260 0.42269 0.28516 -0.24302 -0.44099
193 9D-2 0.00451 0.28516 0.09342 0.42092 -0.25460
194 10F 0 0.00253 -0.01872 0.03243 -0.02770 0.00000
195 10F+1 0.00735 0.01847 -0.01491 0.01089 0.00719
196 10F-1 -0.00424 0.00641 0.01847 -0.00629 0.01245
197 10F+2 0.00732 -0.01711 -0.01834 0.00723 0.00686
198 10F-2 -0.01268 -0.01834 0.00407 -0.01252 0.00396
199 10F+3 0.00000 -0.03499 -0.02020 0.00000 -0.00025
200 10F-3 -0.00132 -0.00361 0.00626 -0.00541 0.00000
201 6 H 1S 0.00248 0.00516 0.00000 0.02686 0.00000
202 2S 0.07150 -0.43677 0.00000 -0.04771 0.00000
203 3S -1.74021 -0.07878 0.00000 -1.81668 0.00000
204 4S -0.09732 -0.33164 0.00000 -0.35764 0.00000
205 5PX 0.00000 0.00000 0.01574 0.00000 -0.05049
206 5PY 0.03907 -0.00054 0.00000 -0.00560 0.00000
207 5PZ -0.02870 -0.01789 0.00000 0.00165 0.00000
208 6PX 0.00000 0.00000 -0.19081 0.00000 0.38960
209 6PY -0.47610 -0.13288 0.00000 0.00027 0.00000
210 6PZ 0.18140 0.13510 0.00000 -0.05147 0.00000
211 7PX 0.00000 0.00000 1.10027 0.00000 -0.42838
212 7PY -0.08958 -0.06446 0.00000 -1.04647 0.00000
213 7PZ -0.71581 0.11095 0.00000 -0.47931 0.00000
214 8D 0 0.04817 0.00160 0.00000 0.02145 0.00000
215 8D+1 0.00000 0.00000 -0.06440 0.00000 -0.01983
216 8D-1 -0.02990 0.00038 0.00000 0.00512 0.00000
217 8D+2 0.00829 0.02032 0.00000 -0.03880 0.00000
218 8D-2 0.00000 0.00000 -0.04134 0.00000 0.05152
219 9D 0 -0.45937 0.18175 0.00000 -0.19986 0.00000
220 9D+1 0.00000 0.00000 0.68642 0.00000 0.21596
221 9D-1 0.14792 0.14680 0.00000 -0.22763 0.00000
222 9D+2 0.00521 -0.07122 0.00000 0.48603 0.00000
223 9D-2 0.00000 0.00000 0.58733 0.00000 -0.50921
224 10F 0 -0.00253 -0.03744 0.00000 0.02770 0.00000
225 10F+1 0.00000 0.00000 -0.01707 0.00000 -0.01438
226 10F-1 -0.00849 0.02557 0.00000 -0.01258 0.00000
227 10F+2 0.01464 -0.01466 0.00000 0.01446 0.00000
228 10F-2 0.00000 0.00000 0.02769 0.00000 -0.00793
229 10F+3 0.00000 0.00000 -0.04041 0.00000 -0.00025
230 10F-3 0.00132 -0.00723 0.00000 0.00541 0.00000
231 7 H 1S 0.00248 -0.00258 0.00447 0.02686 0.00000
232 2S 0.07150 0.21839 -0.37825 -0.04771 0.00000
233 3S -1.74021 0.03939 -0.06822 -1.81668 0.00000
234 4S -0.09732 0.16582 -0.28721 -0.35764 0.00000
235 5PX 0.03383 0.00705 0.00353 -0.00485 0.02525
236 5PY -0.01953 0.01167 0.00705 0.00280 0.04373
237 5PZ -0.02870 0.00895 -0.01550 0.00165 0.00000
238 6PX -0.41232 -0.02509 -0.14736 0.00024 -0.19480
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111 112 113 114 115
(A2G)--V (EU)--V (EU)--V (A2U)--V (A1U)--V
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265 5PX 0.00460 -0.00420 -0.00882 0.02114 0.04508
266 5PY -0.00798 -0.00397 -0.00420 0.01220 -0.07809
267 5PZ 0.00000 0.01026 0.01778 0.01024 0.00000
268 6PX -0.07269 0.15282 0.34789 -0.28692 -0.45730
269 6PY 0.12590 0.17143 0.15282 -0.16565 0.79207
270 6PZ 0.00000 -0.14686 -0.25437 -0.00263 0.00000
271 7PX -0.39428 0.79947 0.83477 -0.27613 -0.31708
272 7PY 0.68292 -0.08837 0.79947 -0.15942 0.54919
273 7PZ 0.00000 0.50872 0.88113 -0.68462 0.00000
274 8D 0 0.00000 -0.02799 -0.04848 -0.00940 0.00000
275 8D+1 0.00261 -0.00146 0.02716 -0.05724 0.01713
276 8D-1 -0.00452 0.02885 -0.00146 -0.03305 -0.02967
277 8D+2 -0.04683 0.00779 -0.01566 -0.00735 -0.01813
278 8D-2 0.02704 -0.01566 -0.01030 -0.01274 0.01047
279 9D 0 0.00000 0.41239 0.71429 -0.03180 0.00000
280 9D+1 -0.10023 0.00406 -0.24859 0.61181 -0.30224
281 9D-1 0.17361 -0.25327 0.00406 0.35323 0.52349
282 9D+2 0.77292 -0.15578 0.01592 0.15634 0.71551
283 9D-2 -0.44625 0.01592 -0.13739 0.27079 -0.41310
284 10F 0 0.00000 -0.00715 -0.01238 0.00853 0.00000
285 10F+1 -0.00409 -0.00193 -0.02634 0.01799 0.00915
286 10F-1 0.00708 -0.02411 -0.00193 0.01039 -0.01586
287 10F+2 0.02784 0.00297 0.00878 -0.00258 0.03312
288 10F-2 -0.01607 0.00878 0.01311 -0.00447 -0.01912
289 10F+3 -0.02550 0.00870 -0.00502 0.00000 -0.04374
290 10F-3 0.00000 -0.00047 -0.00081 -0.00780 0.00000
116 117 118 119 120
(EG)--V (EG)--V (EU)--V (EU)--V (A2U)--V
Eigenvalues -- 3.33997 3.33997 3.37161 3.37161 3.38566
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2 2S 0.00000 0.00000 0.00000 0.00000 -0.19375
3 3S 0.00000 0.00000 0.00000 0.00000 -4.16414
4 4S 0.00000 0.00000 0.00000 0.00000 13.47530
5 5S 0.00000 0.00000 0.00000 0.00000 5.82624
6 6PX 0.00000 -0.02677 0.00000 0.02570 0.00000
7 6PY -0.02677 0.00000 0.02570 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.02762
9 7PX 0.00000 0.47812 0.00000 -0.24874 0.00000
10 7PY 0.47812 0.00000 -0.24874 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.00000 -0.43555
12 8PX 0.00000 -0.91455 0.00000 2.85141 0.00000
13 8PY -0.91455 0.00000 2.85141 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 0.00000 2.49492
15 9PX 0.00000 0.12634 0.00000 0.91298 0.00000
16 9PY 0.12634 0.00000 0.91298 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 0.00000 -0.80898
18 10D 0 0.00000 0.00000 0.00000 0.00000 0.01756
19 10D+1 0.00000 0.01970 0.00000 0.03438 0.00000
20 10D-1 0.01970 0.00000 0.03438 0.00000 0.00000
21 10D+2 -0.00864 0.00000 -0.01024 0.00000 0.00000
22 10D-2 0.00000 -0.00864 0.00000 -0.01024 0.00000
23 11D 0 0.00000 0.00000 0.00000 0.00000 -0.32568
24 11D+1 0.00000 -0.32368 0.00000 -0.37845 0.00000
25 11D-1 -0.32368 0.00000 -0.37845 0.00000 0.00000
26 11D+2 -0.05744 0.00000 0.36230 0.00000 0.00000
27 11D-2 0.00000 -0.05744 0.00000 0.36230 0.00000
28 12D 0 0.00000 0.00000 0.00000 0.00000 -0.29234
29 12D+1 0.00000 -1.01503 0.00000 -0.17132 0.00000
30 12D-1 -1.01503 0.00000 -0.17132 0.00000 0.00000
31 12D+2 0.26569 0.00000 0.15154 0.00000 0.00000
32 12D-2 0.00000 0.26569 0.00000 0.15154 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00227
34 13F+1 0.00000 -0.08328 0.00000 0.02970 0.00000
35 13F-1 -0.08328 0.00000 0.02970 0.00000 0.00000
36 13F+2 -0.03515 0.00000 0.04880 0.00000 0.00000
37 13F-2 0.00000 -0.03515 0.00000 0.04880 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00000 -0.03892
40 14F 0 0.00000 0.00000 0.00000 0.00000 -1.83566
41 14F+1 0.00000 2.30359 0.00000 -0.87087 0.00000
42 14F-1 2.30359 0.00000 -0.87087 0.00000 0.00000
43 14F+2 -0.31267 0.00000 -0.04381 0.00000 0.00000
44 14F-2 0.00000 -0.31267 0.00000 -0.04381 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 -0.85437
47 15G 0 0.00000 0.00000 0.00000 0.00000 0.00385
48 15G+1 0.00000 -0.01083 0.00000 -0.03759 0.00000
49 15G-1 -0.01083 0.00000 -0.03759 0.00000 0.00000
50 15G+2 -0.11482 0.00000 0.07280 0.00000 0.00000
51 15G-2 0.00000 -0.11482 0.00000 0.07280 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 0.00000 0.00000 0.00000 0.00000 -0.20117
54 15G+4 -0.12496 0.00000 0.13532 0.00000 0.00000
55 15G-4 0.00000 0.12496 0.00000 -0.13532 0.00000
56 2 C 1S 0.00000 0.00000 0.00000 0.00000 -0.00527
57 2S 0.00000 0.00000 0.00000 0.00000 0.19375
58 3S 0.00000 0.00000 0.00000 0.00000 4.16414
59 4S 0.00000 0.00000 0.00000 0.00000 -13.47530
60 5S 0.00000 0.00000 0.00000 0.00000 -5.82624
61 6PX 0.00000 0.02677 0.00000 0.02570 0.00000
62 6PY 0.02677 0.00000 0.02570 0.00000 0.00000
63 6PZ 0.00000 0.00000 0.00000 0.00000 0.02762
64 7PX 0.00000 -0.47812 0.00000 -0.24874 0.00000
65 7PY -0.47812 0.00000 -0.24874 0.00000 0.00000
66 7PZ 0.00000 0.00000 0.00000 0.00000 -0.43555
67 8PX 0.00000 0.91455 0.00000 2.85141 0.00000
68 8PY 0.91455 0.00000 2.85141 0.00000 0.00000
69 8PZ 0.00000 0.00000 0.00000 0.00000 2.49492
70 9PX 0.00000 -0.12634 0.00000 0.91298 0.00000
71 9PY -0.12634 0.00000 0.91298 0.00000 0.00000
72 9PZ 0.00000 0.00000 0.00000 0.00000 -0.80898
73 10D 0 0.00000 0.00000 0.00000 0.00000 -0.01756
74 10D+1 0.00000 0.01970 0.00000 -0.03438 0.00000
75 10D-1 0.01970 0.00000 -0.03438 0.00000 0.00000
76 10D+2 -0.00864 0.00000 0.01024 0.00000 0.00000
77 10D-2 0.00000 -0.00864 0.00000 0.01024 0.00000
78 11D 0 0.00000 0.00000 0.00000 0.00000 0.32568
79 11D+1 0.00000 -0.32368 0.00000 0.37845 0.00000
80 11D-1 -0.32368 0.00000 0.37845 0.00000 0.00000
81 11D+2 -0.05744 0.00000 -0.36230 0.00000 0.00000
82 11D-2 0.00000 -0.05744 0.00000 -0.36230 0.00000
83 12D 0 0.00000 0.00000 0.00000 0.00000 0.29234
84 12D+1 0.00000 -1.01503 0.00000 0.17132 0.00000
85 12D-1 -1.01503 0.00000 0.17132 0.00000 0.00000
86 12D+2 0.26569 0.00000 -0.15154 0.00000 0.00000
87 12D-2 0.00000 0.26569 0.00000 -0.15154 0.00000
88 13F 0 0.00000 0.00000 0.00000 0.00000 0.00227
89 13F+1 0.00000 0.08328 0.00000 0.02970 0.00000
90 13F-1 0.08328 0.00000 0.02970 0.00000 0.00000
91 13F+2 0.03515 0.00000 0.04880 0.00000 0.00000
92 13F-2 0.00000 0.03515 0.00000 0.04880 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
94 13F-3 0.00000 0.00000 0.00000 0.00000 -0.03892
95 14F 0 0.00000 0.00000 0.00000 0.00000 -1.83566
96 14F+1 0.00000 -2.30359 0.00000 -0.87087 0.00000
97 14F-1 -2.30359 0.00000 -0.87087 0.00000 0.00000
98 14F+2 0.31267 0.00000 -0.04381 0.00000 0.00000
99 14F-2 0.00000 0.31267 0.00000 -0.04381 0.00000
100 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
101 14F-3 0.00000 0.00000 0.00000 0.00000 -0.85437
102 15G 0 0.00000 0.00000 0.00000 0.00000 -0.00385
103 15G+1 0.00000 -0.01083 0.00000 0.03759 0.00000
104 15G-1 -0.01083 0.00000 0.03759 0.00000 0.00000
105 15G+2 -0.11482 0.00000 -0.07280 0.00000 0.00000
106 15G-2 0.00000 -0.11482 0.00000 -0.07280 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
108 15G-3 0.00000 0.00000 0.00000 0.00000 0.20117
109 15G+4 -0.12496 0.00000 -0.13532 0.00000 0.00000
110 15G-4 0.00000 0.12496 0.00000 0.13532 0.00000
111 3 H 1S -0.01337 0.00000 0.01879 0.00000 0.00963
112 2S 0.66323 0.00000 -0.16814 0.00000 -1.47983
113 3S 0.30119 0.00000 -1.38126 0.00000 -4.00757
114 4S -0.06113 0.00000 -0.58843 0.00000 -0.05452
115 5PX 0.00000 -0.04282 0.00000 0.00751 0.00000
116 5PY -0.05387 0.00000 0.03232 0.00000 -0.07377
117 5PZ 0.09770 0.00000 -0.00975 0.00000 -0.00328
118 6PX 0.00000 0.40978 0.00000 -0.08215 0.00000
119 6PY 0.33498 0.00000 -0.17991 0.00000 1.19705
120 6PZ -1.04904 0.00000 0.21967 0.00000 0.25261
121 7PX 0.00000 0.40796 0.00000 -1.07457 0.00000
122 7PY 0.47455 0.00000 -0.01147 0.00000 1.01821
123 7PZ -0.34154 0.00000 1.21912 0.00000 0.27501
124 8D 0 -0.00733 0.00000 0.03042 0.00000 -0.00624
125 8D+1 0.00000 0.02051 0.00000 -0.05580 0.00000
126 8D-1 0.00515 0.00000 0.02642 0.00000 -0.02826
127 8D+2 -0.06178 0.00000 0.02960 0.00000 0.07204
128 8D-2 0.00000 0.01794 0.00000 -0.03450 0.00000
129 9D 0 0.46216 0.00000 -0.64728 0.00000 0.28785
130 9D+1 0.00000 -0.30452 0.00000 0.69711 0.00000
131 9D-1 0.51727 0.00000 -0.57129 0.00000 -0.01932
132 9D+2 0.85727 0.00000 -0.46463 0.00000 -0.23727
133 9D-2 0.00000 -0.45282 0.00000 0.63806 0.00000
134 10F 0 -0.00147 0.00000 0.00883 0.00000 -0.01651
135 10F+1 0.00000 0.03398 0.00000 0.00832 0.00000
136 10F-1 -0.05163 0.00000 0.03519 0.00000 -0.01078
137 10F+2 0.02534 0.00000 -0.02054 0.00000 -0.00300
138 10F-2 0.00000 0.02089 0.00000 -0.01930 0.00000
139 10F+3 0.00000 -0.03510 0.00000 0.02888 0.00000
140 10F-3 -0.04400 0.00000 0.04217 0.00000 -0.03043
141 4 H 1S 0.00669 0.01158 -0.00939 -0.01627 0.00963
142 2S -0.33161 -0.57437 0.08407 0.14561 -1.47983
143 3S -0.15060 -0.26084 0.69063 1.19621 -4.00757
144 4S 0.03057 0.05294 0.29422 0.50960 -0.05452
145 5PX -0.00479 -0.05111 0.01074 0.02612 0.06389
146 5PY -0.04558 -0.00479 0.01371 0.01074 0.03689
147 5PZ -0.04885 -0.08461 0.00488 0.00844 -0.00328
148 6PX -0.03239 0.35368 -0.04233 -0.15547 -1.03668
149 6PY 0.39108 -0.03239 -0.10659 -0.04233 -0.59853
150 6PZ 0.52452 0.90850 -0.10983 -0.19024 0.25261
151 7PX 0.02883 0.45790 0.46034 -0.27724 -0.88179
152 7PY 0.42461 0.02883 -0.80879 0.46034 -0.50910
153 7PZ 0.17077 0.29578 -0.60956 -1.05579 0.27501
154 8D 0 0.00366 0.00635 -0.01521 -0.02634 -0.00624
155 8D+1 -0.00665 0.00899 0.03560 0.00587 0.02448
156 8D-1 0.01667 -0.00665 -0.03524 0.03560 0.01413
157 8D+2 -0.00199 -0.03452 -0.01848 0.02776 -0.03602
158 8D-2 -0.03452 -0.04185 0.02776 0.01357 -0.06239
159 9D 0 -0.23108 -0.40024 0.32364 0.56056 0.28785
160 9D+1 0.35584 0.31182 -0.54923 -0.25419 0.01674
161 9D-1 -0.09907 0.35584 0.38001 -0.54923 0.00966
162 9D+2 -0.12530 0.56729 0.36239 -0.47748 0.11863
163 9D-2 0.56729 0.52975 -0.47748 -0.18896 0.20548
164 10F 0 0.00074 0.00128 -0.00441 -0.00764 -0.01651
165 10F+1 -0.03707 -0.03023 0.01164 0.02847 0.00933
166 10F-1 0.01258 -0.03707 0.01503 0.01164 0.00539
167 10F+2 0.02200 0.00193 -0.01961 -0.00054 0.00150
168 10F-2 0.00193 0.02423 -0.00054 -0.02023 0.00260
169 10F+3 -0.03040 0.01755 0.02501 -0.01444 0.00000
170 10F-3 0.02200 0.03810 -0.02109 -0.03652 -0.03043
171 5 H 1S 0.00669 -0.01158 -0.00939 0.01627 0.00963
172 2S -0.33161 0.57437 0.08407 -0.14561 -1.47983
173 3S -0.15060 0.26084 0.69063 -1.19621 -4.00757
174 4S 0.03057 -0.05294 0.29422 -0.50960 -0.05452
175 5PX 0.00479 -0.05111 -0.01074 0.02612 -0.06389
176 5PY -0.04558 0.00479 0.01371 -0.01074 0.03689
177 5PZ -0.04885 0.08461 0.00488 -0.00844 -0.00328
178 6PX 0.03239 0.35368 0.04233 -0.15547 1.03668
179 6PY 0.39108 0.03239 -0.10659 0.04233 -0.59853
180 6PZ 0.52452 -0.90850 -0.10983 0.19024 0.25261
181 7PX -0.02883 0.45790 -0.46034 -0.27724 0.88179
182 7PY 0.42461 -0.02883 -0.80879 -0.46034 -0.50910
183 7PZ 0.17077 -0.29578 -0.60956 1.05579 0.27501
184 8D 0 0.00366 -0.00635 -0.01521 0.02634 -0.00624
185 8D+1 0.00665 0.00899 -0.03560 0.00587 -0.02448
186 8D-1 0.01667 0.00665 -0.03524 -0.03560 0.01413
187 8D+2 -0.00199 0.03452 -0.01848 -0.02776 -0.03602
188 8D-2 0.03452 -0.04185 -0.02776 0.01357 0.06239
189 9D 0 -0.23108 0.40024 0.32364 -0.56056 0.28785
190 9D+1 -0.35584 0.31182 0.54923 -0.25419 -0.01674
191 9D-1 -0.09907 -0.35584 0.38001 0.54923 0.00966
192 9D+2 -0.12530 -0.56729 0.36239 0.47748 0.11863
193 9D-2 -0.56729 0.52975 0.47748 -0.18896 -0.20548
194 10F 0 0.00074 -0.00128 -0.00441 0.00764 -0.01651
195 10F+1 0.03707 -0.03023 -0.01164 0.02847 -0.00933
196 10F-1 0.01258 0.03707 0.01503 -0.01164 0.00539
197 10F+2 0.02200 -0.00193 -0.01961 0.00054 0.00150
198 10F-2 -0.00193 0.02423 0.00054 -0.02023 -0.00260
199 10F+3 0.03040 0.01755 -0.02501 -0.01444 0.00000
200 10F-3 0.02200 -0.03810 -0.02109 0.03652 -0.03043
201 6 H 1S -0.01337 0.00000 -0.01879 0.00000 -0.00963
202 2S 0.66323 0.00000 0.16814 0.00000 1.47983
203 3S 0.30119 0.00000 1.38126 0.00000 4.00757
204 4S -0.06113 0.00000 0.58843 0.00000 0.05452
205 5PX 0.00000 0.04282 0.00000 0.00751 0.00000
206 5PY 0.05387 0.00000 0.03232 0.00000 -0.07377
207 5PZ -0.09770 0.00000 -0.00975 0.00000 -0.00328
208 6PX 0.00000 -0.40978 0.00000 -0.08215 0.00000
209 6PY -0.33498 0.00000 -0.17991 0.00000 1.19705
210 6PZ 1.04904 0.00000 0.21967 0.00000 0.25261
211 7PX 0.00000 -0.40796 0.00000 -1.07457 0.00000
212 7PY -0.47455 0.00000 -0.01147 0.00000 1.01821
213 7PZ 0.34154 0.00000 1.21912 0.00000 0.27501
214 8D 0 -0.00733 0.00000 -0.03042 0.00000 0.00624
215 8D+1 0.00000 0.02051 0.00000 0.05580 0.00000
216 8D-1 0.00515 0.00000 -0.02642 0.00000 0.02826
217 8D+2 -0.06178 0.00000 -0.02960 0.00000 -0.07204
218 8D-2 0.00000 0.01794 0.00000 0.03450 0.00000
219 9D 0 0.46216 0.00000 0.64728 0.00000 -0.28785
220 9D+1 0.00000 -0.30452 0.00000 -0.69711 0.00000
221 9D-1 0.51727 0.00000 0.57129 0.00000 0.01932
222 9D+2 0.85727 0.00000 0.46463 0.00000 0.23727
223 9D-2 0.00000 -0.45282 0.00000 -0.63806 0.00000
224 10F 0 0.00147 0.00000 0.00883 0.00000 -0.01651
225 10F+1 0.00000 -0.03398 0.00000 0.00832 0.00000
226 10F-1 0.05163 0.00000 0.03519 0.00000 -0.01078
227 10F+2 -0.02534 0.00000 -0.02054 0.00000 -0.00300
228 10F-2 0.00000 -0.02089 0.00000 -0.01930 0.00000
229 10F+3 0.00000 0.03510 0.00000 0.02888 0.00000
230 10F-3 0.04400 0.00000 0.04217 0.00000 -0.03043
231 7 H 1S 0.00669 -0.01158 0.00939 -0.01627 -0.00963
232 2S -0.33161 0.57437 -0.08407 0.14561 1.47983
233 3S -0.15060 0.26084 -0.69063 1.19621 4.00757
234 4S 0.03057 -0.05294 -0.29422 0.50960 0.05452
235 5PX -0.00479 0.05111 -0.01074 0.02612 -0.06389
236 5PY 0.04558 -0.00479 0.01371 -0.01074 0.03689
237 5PZ 0.04885 -0.08461 0.00488 -0.00844 -0.00328
238 6PX -0.03239 -0.35368 0.04233 -0.15547 1.03668
239 6PY -0.39108 -0.03239 -0.10659 0.04233 -0.59853
240 6PZ -0.52452 0.90850 -0.10983 0.19024 0.25261
241 7PX 0.02883 -0.45790 -0.46034 -0.27724 0.88179
242 7PY -0.42461 0.02883 -0.80879 -0.46034 -0.50910
243 7PZ -0.17077 0.29578 -0.60956 1.05579 0.27501
244 8D 0 0.00366 -0.00635 0.01521 -0.02634 0.00624
245 8D+1 0.00665 0.00899 0.03560 -0.00587 0.02448
246 8D-1 0.01667 0.00665 0.03524 0.03560 -0.01413
247 8D+2 -0.00199 0.03452 0.01848 0.02776 0.03602
248 8D-2 0.03452 -0.04185 0.02776 -0.01357 -0.06239
249 9D 0 -0.23108 0.40024 -0.32364 0.56056 -0.28785
250 9D+1 -0.35584 0.31182 -0.54923 0.25419 0.01674
251 9D-1 -0.09907 -0.35584 -0.38001 -0.54923 -0.00966
252 9D+2 -0.12530 -0.56729 -0.36239 -0.47748 -0.11863
253 9D-2 -0.56729 0.52975 -0.47748 0.18896 0.20548
254 10F 0 -0.00074 0.00128 -0.00441 0.00764 -0.01651
255 10F+1 -0.03707 0.03023 -0.01164 0.02847 -0.00933
256 10F-1 -0.01258 -0.03707 0.01503 -0.01164 0.00539
257 10F+2 -0.02200 0.00193 -0.01961 0.00054 0.00150
258 10F-2 0.00193 -0.02423 0.00054 -0.02023 -0.00260
259 10F+3 -0.03040 -0.01755 -0.02501 -0.01444 0.00000
260 10F-3 -0.02200 0.03810 -0.02109 0.03652 -0.03043
261 8 H 1S 0.00669 0.01158 0.00939 0.01627 -0.00963
262 2S -0.33161 -0.57437 -0.08407 -0.14561 1.47983
263 3S -0.15060 -0.26084 -0.69063 -1.19621 4.00757
264 4S 0.03057 0.05294 -0.29422 -0.50960 0.05452
265 5PX 0.00479 0.05111 0.01074 0.02612 0.06389
266 5PY 0.04558 0.00479 0.01371 0.01074 0.03689
267 5PZ 0.04885 0.08461 0.00488 0.00844 -0.00328
268 6PX 0.03239 -0.35368 -0.04233 -0.15547 -1.03668
269 6PY -0.39108 0.03239 -0.10659 -0.04233 -0.59853
270 6PZ -0.52452 -0.90850 -0.10983 -0.19024 0.25261
271 7PX -0.02883 -0.45790 0.46034 -0.27724 -0.88179
272 7PY -0.42461 -0.02883 -0.80879 0.46034 -0.50910
273 7PZ -0.17077 -0.29578 -0.60956 -1.05579 0.27501
274 8D 0 0.00366 0.00635 0.01521 0.02634 0.00624
275 8D+1 -0.00665 0.00899 -0.03560 -0.00587 -0.02448
276 8D-1 0.01667 -0.00665 0.03524 -0.03560 -0.01413
277 8D+2 -0.00199 -0.03452 0.01848 -0.02776 0.03602
278 8D-2 -0.03452 -0.04185 -0.02776 -0.01357 0.06239
279 9D 0 -0.23108 -0.40024 -0.32364 -0.56056 -0.28785
280 9D+1 0.35584 0.31182 0.54923 0.25419 -0.01674
281 9D-1 -0.09907 0.35584 -0.38001 0.54923 -0.00966
282 9D+2 -0.12530 0.56729 -0.36239 0.47748 -0.11863
283 9D-2 0.56729 0.52975 0.47748 0.18896 -0.20548
284 10F 0 -0.00074 -0.00128 -0.00441 -0.00764 -0.01651
285 10F+1 0.03707 0.03023 0.01164 0.02847 0.00933
286 10F-1 -0.01258 0.03707 0.01503 0.01164 0.00539
287 10F+2 -0.02200 -0.00193 -0.01961 -0.00054 0.00150
288 10F-2 -0.00193 -0.02423 -0.00054 -0.02023 0.00260
289 10F+3 0.03040 -0.01755 0.02501 -0.01444 0.00000
290 10F-3 -0.02200 -0.03810 -0.02109 -0.03652 -0.03043
121 122 123 124 125
(A1G)--V (EG)--V (EG)--V (EU)--V (EU)--V
Eigenvalues -- 3.39578 3.45871 3.45871 3.46701 3.46701
1 1 C 1S 0.03828 0.00000 0.00000 0.00000 0.00000
2 2S -0.13632 0.00000 0.00000 0.00000 0.00000
3 3S -1.23626 0.00000 0.00000 0.00000 0.00000
4 4S 3.41963 0.00000 0.00000 0.00000 0.00000
5 5S 2.32106 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.03325 0.00000 0.05317
7 6PY 0.00000 0.03325 0.00000 0.05317 0.00000
8 6PZ 0.02766 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 -0.47814 0.00000 -1.29699
10 7PY 0.00000 -0.47814 0.00000 -1.29699 0.00000
11 7PZ 0.59519 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 8.45784 0.00000 2.77930
13 8PY 0.00000 8.45784 0.00000 2.77930 0.00000
14 8PZ -0.71368 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 0.99564 0.00000 0.21247
16 9PY 0.00000 0.99564 0.00000 0.21247 0.00000
17 9PZ -0.46565 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.07848 0.00000 0.00000 0.00000 0.00000
19 10D+1 0.00000 0.00000 -0.02984 0.00000 -0.02162
20 10D-1 0.00000 -0.02984 0.00000 -0.02162 0.00000
21 10D+2 0.00000 0.05147 0.00000 0.00847 0.00000
22 10D-2 0.00000 0.00000 0.05147 0.00000 0.00847
23 11D 0 -0.76568 0.00000 0.00000 0.00000 0.00000
24 11D+1 0.00000 0.00000 -0.03571 0.00000 0.31364
25 11D-1 0.00000 -0.03571 0.00000 0.31364 0.00000
26 11D+2 0.00000 -0.61091 0.00000 -0.16194 0.00000
27 11D-2 0.00000 0.00000 -0.61091 0.00000 -0.16194
28 12D 0 -0.40598 0.00000 0.00000 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.33812 0.00000 1.47777
30 12D-1 0.00000 0.33812 0.00000 1.47777 0.00000
31 12D+2 0.00000 -1.88697 0.00000 -1.33349 0.00000
32 12D-2 0.00000 0.00000 -1.88697 0.00000 -1.33349
33 13F 0 0.04369 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 -0.09048 0.00000 0.00192
35 13F-1 0.00000 -0.09048 0.00000 0.00192 0.00000
36 13F+2 0.00000 -0.01470 0.00000 0.04825 0.00000
37 13F-2 0.00000 0.00000 -0.01470 0.00000 0.04825
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 -0.08119 0.00000 0.00000 0.00000 0.00000
40 14F 0 -0.72412 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 1.12359 0.00000 -0.19844
42 14F-1 0.00000 1.12359 0.00000 -0.19844 0.00000
43 14F+2 0.00000 -0.05141 0.00000 -0.11609 0.00000
44 14F-2 0.00000 0.00000 -0.05141 0.00000 -0.11609
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.57536 0.00000 0.00000 0.00000 0.00000
47 15G 0 0.05767 0.00000 0.00000 0.00000 0.00000
48 15G+1 0.00000 0.00000 -0.10086 0.00000 -0.03434
49 15G-1 0.00000 -0.10086 0.00000 -0.03434 0.00000
50 15G+2 0.00000 0.00337 0.00000 0.03866 0.00000
51 15G-2 0.00000 0.00000 0.00337 0.00000 0.03866
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 0.03092 0.00000 0.00000 0.00000 0.00000
54 15G+4 0.00000 0.08354 0.00000 0.08833 0.00000
55 15G-4 0.00000 0.00000 -0.08354 0.00000 -0.08833
56 2 C 1S 0.03828 0.00000 0.00000 0.00000 0.00000
57 2S -0.13632 0.00000 0.00000 0.00000 0.00000
58 3S -1.23626 0.00000 0.00000 0.00000 0.00000
59 4S 3.41963 0.00000 0.00000 0.00000 0.00000
60 5S 2.32106 0.00000 0.00000 0.00000 0.00000
61 6PX 0.00000 0.00000 -0.03325 0.00000 0.05317
62 6PY 0.00000 -0.03325 0.00000 0.05317 0.00000
63 6PZ -0.02766 0.00000 0.00000 0.00000 0.00000
64 7PX 0.00000 0.00000 0.47814 0.00000 -1.29699
65 7PY 0.00000 0.47814 0.00000 -1.29699 0.00000
66 7PZ -0.59519 0.00000 0.00000 0.00000 0.00000
67 8PX 0.00000 0.00000 -8.45784 0.00000 2.77930
68 8PY 0.00000 -8.45784 0.00000 2.77930 0.00000
69 8PZ 0.71368 0.00000 0.00000 0.00000 0.00000
70 9PX 0.00000 0.00000 -0.99564 0.00000 0.21247
71 9PY 0.00000 -0.99564 0.00000 0.21247 0.00000
72 9PZ 0.46565 0.00000 0.00000 0.00000 0.00000
73 10D 0 0.07848 0.00000 0.00000 0.00000 0.00000
74 10D+1 0.00000 0.00000 -0.02984 0.00000 0.02162
75 10D-1 0.00000 -0.02984 0.00000 0.02162 0.00000
76 10D+2 0.00000 0.05147 0.00000 -0.00847 0.00000
77 10D-2 0.00000 0.00000 0.05147 0.00000 -0.00847
78 11D 0 -0.76568 0.00000 0.00000 0.00000 0.00000
79 11D+1 0.00000 0.00000 -0.03571 0.00000 -0.31364
80 11D-1 0.00000 -0.03571 0.00000 -0.31364 0.00000
81 11D+2 0.00000 -0.61091 0.00000 0.16194 0.00000
82 11D-2 0.00000 0.00000 -0.61091 0.00000 0.16194
83 12D 0 -0.40598 0.00000 0.00000 0.00000 0.00000
84 12D+1 0.00000 0.00000 0.33812 0.00000 -1.47777
85 12D-1 0.00000 0.33812 0.00000 -1.47777 0.00000
86 12D+2 0.00000 -1.88697 0.00000 1.33349 0.00000
87 12D-2 0.00000 0.00000 -1.88697 0.00000 1.33349
88 13F 0 -0.04369 0.00000 0.00000 0.00000 0.00000
89 13F+1 0.00000 0.00000 0.09048 0.00000 0.00192
90 13F-1 0.00000 0.09048 0.00000 0.00192 0.00000
91 13F+2 0.00000 0.01470 0.00000 0.04825 0.00000
92 13F-2 0.00000 0.00000 0.01470 0.00000 0.04825
93 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
94 13F-3 0.08119 0.00000 0.00000 0.00000 0.00000
95 14F 0 0.72412 0.00000 0.00000 0.00000 0.00000
96 14F+1 0.00000 0.00000 -1.12359 0.00000 -0.19844
97 14F-1 0.00000 -1.12359 0.00000 -0.19844 0.00000
98 14F+2 0.00000 0.05141 0.00000 -0.11609 0.00000
99 14F-2 0.00000 0.00000 0.05141 0.00000 -0.11609
100 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
101 14F-3 -0.57536 0.00000 0.00000 0.00000 0.00000
102 15G 0 0.05767 0.00000 0.00000 0.00000 0.00000
103 15G+1 0.00000 0.00000 -0.10086 0.00000 0.03434
104 15G-1 0.00000 -0.10086 0.00000 0.03434 0.00000
105 15G+2 0.00000 0.00337 0.00000 -0.03866 0.00000
106 15G-2 0.00000 0.00000 0.00337 0.00000 -0.03866
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
108 15G-3 0.03092 0.00000 0.00000 0.00000 0.00000
109 15G+4 0.00000 0.08354 0.00000 -0.08833 0.00000
110 15G-4 0.00000 0.00000 -0.08354 0.00000 0.08833
111 3 H 1S 0.00163 -0.03009 0.00000 -0.00897 0.00000
112 2S 0.26137 -0.67114 0.00000 -1.42925 0.00000
113 3S -2.01811 -6.70942 0.00000 -0.56423 0.00000
114 4S -0.19808 0.03063 0.00000 0.27379 0.00000
115 5PX 0.00000 0.00000 0.03693 0.00000 0.00753
116 5PY -0.03093 -0.09467 0.00000 -0.01094 0.00000
117 5PZ 0.01570 -0.00914 0.00000 -0.01705 0.00000
118 6PX 0.00000 0.00000 -0.36357 0.00000 -0.07912
119 6PY 0.29443 1.09234 0.00000 0.35393 0.00000
120 6PZ -0.14456 0.18091 0.00000 0.30195 0.00000
121 7PX 0.00000 0.00000 -0.04907 0.00000 -0.33885
122 7PY 0.37385 1.63734 0.00000 -1.02537 0.00000
123 7PZ 1.12178 1.19916 0.00000 -0.74670 0.00000
124 8D 0 -0.00857 0.06433 0.00000 0.02844 0.00000
125 8D+1 0.00000 0.00000 0.02705 0.00000 0.03236
126 8D-1 0.03426 -0.00288 0.00000 -0.06660 0.00000
127 8D+2 0.04238 0.02794 0.00000 0.07166 0.00000
128 8D-2 0.00000 0.00000 -0.03893 0.00000 -0.02578
129 9D 0 0.05066 -0.44415 0.00000 -0.33212 0.00000
130 9D+1 0.00000 0.00000 -0.29864 0.00000 -0.24240
131 9D-1 -0.56444 -0.18580 0.00000 0.62356 0.00000
132 9D+2 -0.35081 0.16362 0.00000 -0.76993 0.00000
133 9D-2 0.00000 0.00000 0.48420 0.00000 0.41479
134 10F 0 -0.02895 -0.00022 0.00000 0.01685 0.00000
135 10F+1 0.00000 0.00000 0.00496 0.00000 -0.00270
136 10F-1 0.01833 -0.02233 0.00000 0.00562 0.00000
137 10F+2 -0.02561 -0.01631 0.00000 0.01176 0.00000
138 10F-2 0.00000 0.00000 -0.01486 0.00000 -0.03643
139 10F+3 0.00000 0.00000 -0.00040 0.00000 0.01580
140 10F-3 -0.01373 -0.00738 0.00000 0.04048 0.00000
141 4 H 1S 0.00163 0.01505 0.02606 0.00448 0.00776
142 2S 0.26137 0.33557 0.58122 0.71463 1.23777
143 3S -2.01811 3.35471 5.81053 0.28212 0.48864
144 4S -0.19808 -0.01532 -0.02653 -0.13690 -0.23711
145 5PX 0.02678 -0.05698 -0.06177 -0.00800 -0.00632
146 5PY 0.01546 0.00403 -0.05698 0.00291 -0.00800
147 5PZ 0.01570 0.00457 0.00792 0.00852 0.01476
148 6PX -0.25498 0.63043 0.72836 0.18752 0.24567
149 6PY -0.14722 0.00040 0.63043 0.02914 0.18752
150 6PZ -0.14456 -0.09045 -0.15667 -0.15097 -0.26150
151 7PX -0.32377 0.73023 1.21574 -0.29727 -0.85374
152 7PY -0.18693 0.37253 0.73023 -0.51048 -0.29727
153 7PZ 1.12178 -0.59958 -1.03850 0.37335 0.64666
154 8D 0 -0.00857 -0.03217 -0.05571 -0.01422 -0.02463
155 8D+1 -0.02967 -0.01296 0.00460 -0.04286 -0.04186
156 8D-1 -0.01713 0.01957 -0.01296 0.00762 -0.04286
157 8D+2 -0.02119 -0.02221 0.02895 -0.00142 0.04219
158 8D-2 -0.03670 0.02895 0.01122 0.04219 0.04730
159 9D 0 0.05066 0.22208 0.38465 0.16606 0.28763
160 9D+1 0.48882 0.04886 -0.21401 0.37497 0.40707
161 9D-1 0.28222 -0.27043 0.04886 -0.02591 0.37497
162 9D+2 0.17541 0.40406 -0.13882 0.11861 -0.51300
163 9D-2 0.30381 -0.13882 0.24376 -0.51300 -0.47375
164 10F 0 -0.02895 0.00011 0.00019 -0.00842 -0.01459
165 10F+1 -0.01588 -0.01182 -0.01551 0.00360 0.00354
166 10F-1 -0.00917 -0.00186 -0.01182 -0.00062 0.00360
167 10F+2 0.01280 -0.01522 -0.00062 -0.02438 0.02087
168 10F-2 0.02218 -0.00062 -0.01595 0.02087 -0.00029
169 10F+3 0.00000 -0.00035 0.00020 0.01368 -0.00790
170 10F-3 -0.01373 0.00369 0.00639 -0.02024 -0.03506
171 5 H 1S 0.00163 0.01505 -0.02606 0.00448 -0.00776
172 2S 0.26137 0.33557 -0.58122 0.71463 -1.23777
173 3S -2.01811 3.35471 -5.81053 0.28212 -0.48864
174 4S -0.19808 -0.01532 0.02653 -0.13690 0.23711
175 5PX -0.02678 0.05698 -0.06177 0.00800 -0.00632
176 5PY 0.01546 0.00403 0.05698 0.00291 0.00800
177 5PZ 0.01570 0.00457 -0.00792 0.00852 -0.01476
178 6PX 0.25498 -0.63043 0.72836 -0.18752 0.24567
179 6PY -0.14722 0.00040 -0.63043 0.02914 -0.18752
180 6PZ -0.14456 -0.09045 0.15667 -0.15097 0.26150
181 7PX 0.32377 -0.73023 1.21574 0.29727 -0.85374
182 7PY -0.18693 0.37253 -0.73023 -0.51048 0.29727
183 7PZ 1.12178 -0.59958 1.03850 0.37335 -0.64666
184 8D 0 -0.00857 -0.03217 0.05571 -0.01422 0.02463
185 8D+1 0.02967 0.01296 0.00460 0.04286 -0.04186
186 8D-1 -0.01713 0.01957 0.01296 0.00762 0.04286
187 8D+2 -0.02119 -0.02221 -0.02895 -0.00142 -0.04219
188 8D-2 0.03670 -0.02895 0.01122 -0.04219 0.04730
189 9D 0 0.05066 0.22208 -0.38465 0.16606 -0.28763
190 9D+1 -0.48882 -0.04886 -0.21401 -0.37497 0.40707
191 9D-1 0.28222 -0.27043 -0.04886 -0.02591 -0.37497
192 9D+2 0.17541 0.40406 0.13882 0.11861 0.51300
193 9D-2 -0.30381 0.13882 0.24376 0.51300 -0.47375
194 10F 0 -0.02895 0.00011 -0.00019 -0.00842 0.01459
195 10F+1 0.01588 0.01182 -0.01551 -0.00360 0.00354
196 10F-1 -0.00917 -0.00186 0.01182 -0.00062 -0.00360
197 10F+2 0.01280 -0.01522 0.00062 -0.02438 -0.02087
198 10F-2 -0.02218 0.00062 -0.01595 -0.02087 -0.00029
199 10F+3 0.00000 0.00035 0.00020 -0.01368 -0.00790
200 10F-3 -0.01373 0.00369 -0.00639 -0.02024 0.03506
201 6 H 1S 0.00163 -0.03009 0.00000 0.00897 0.00000
202 2S 0.26137 -0.67114 0.00000 1.42925 0.00000
203 3S -2.01811 -6.70942 0.00000 0.56423 0.00000
204 4S -0.19808 0.03063 0.00000 -0.27379 0.00000
205 5PX 0.00000 0.00000 -0.03693 0.00000 0.00753
206 5PY 0.03093 0.09467 0.00000 -0.01094 0.00000
207 5PZ -0.01570 0.00914 0.00000 -0.01705 0.00000
208 6PX 0.00000 0.00000 0.36357 0.00000 -0.07912
209 6PY -0.29443 -1.09234 0.00000 0.35393 0.00000
210 6PZ 0.14456 -0.18091 0.00000 0.30195 0.00000
211 7PX 0.00000 0.00000 0.04907 0.00000 -0.33885
212 7PY -0.37385 -1.63734 0.00000 -1.02537 0.00000
213 7PZ -1.12178 -1.19916 0.00000 -0.74670 0.00000
214 8D 0 -0.00857 0.06433 0.00000 -0.02844 0.00000
215 8D+1 0.00000 0.00000 0.02705 0.00000 -0.03236
216 8D-1 0.03426 -0.00288 0.00000 0.06660 0.00000
217 8D+2 0.04238 0.02794 0.00000 -0.07166 0.00000
218 8D-2 0.00000 0.00000 -0.03893 0.00000 0.02578
219 9D 0 0.05066 -0.44415 0.00000 0.33212 0.00000
220 9D+1 0.00000 0.00000 -0.29864 0.00000 0.24240
221 9D-1 -0.56444 -0.18580 0.00000 -0.62356 0.00000
222 9D+2 -0.35081 0.16362 0.00000 0.76993 0.00000
223 9D-2 0.00000 0.00000 0.48420 0.00000 -0.41479
224 10F 0 0.02895 0.00022 0.00000 0.01685 0.00000
225 10F+1 0.00000 0.00000 -0.00496 0.00000 -0.00270
226 10F-1 -0.01833 0.02233 0.00000 0.00562 0.00000
227 10F+2 0.02561 0.01631 0.00000 0.01176 0.00000
228 10F-2 0.00000 0.00000 0.01486 0.00000 -0.03643
229 10F+3 0.00000 0.00000 0.00040 0.00000 0.01580
230 10F-3 0.01373 0.00738 0.00000 0.04048 0.00000
231 7 H 1S 0.00163 0.01505 -0.02606 -0.00448 0.00776
232 2S 0.26137 0.33557 -0.58122 -0.71463 1.23777
233 3S -2.01811 3.35471 -5.81053 -0.28212 0.48864
234 4S -0.19808 -0.01532 0.02653 0.13690 -0.23711
235 5PX 0.02678 -0.05698 0.06177 0.00800 -0.00632
236 5PY -0.01546 -0.00403 -0.05698 0.00291 0.00800
237 5PZ -0.01570 -0.00457 0.00792 0.00852 -0.01476
238 6PX -0.25498 0.63043 -0.72836 -0.18752 0.24567
239 6PY 0.14722 -0.00040 0.63043 0.02914 -0.18752
240 6PZ 0.14456 0.09045 -0.15667 -0.15097 0.26150
241 7PX -0.32377 0.73023 -1.21574 0.29727 -0.85374
242 7PY 0.18693 -0.37253 0.73023 -0.51048 0.29727
243 7PZ -1.12178 0.59958 -1.03850 0.37335 -0.64666
244 8D 0 -0.00857 -0.03217 0.05571 0.01422 -0.02463
245 8D+1 0.02967 0.01296 0.00460 -0.04286 0.04186
246 8D-1 -0.01713 0.01957 0.01296 -0.00762 -0.04286
247 8D+2 -0.02119 -0.02221 -0.02895 0.00142 0.04219
248 8D-2 0.03670 -0.02895 0.01122 0.04219 -0.04730
249 9D 0 0.05066 0.22208 -0.38465 -0.16606 0.28763
250 9D+1 -0.48882 -0.04886 -0.21401 0.37497 -0.40707
251 9D-1 0.28222 -0.27043 -0.04886 0.02591 0.37497
252 9D+2 0.17541 0.40406 0.13882 -0.11861 -0.51300
253 9D-2 -0.30381 0.13882 0.24376 -0.51300 0.47375
254 10F 0 0.02895 -0.00011 0.00019 -0.00842 0.01459
255 10F+1 -0.01588 -0.01182 0.01551 -0.00360 0.00354
256 10F-1 0.00917 0.00186 -0.01182 -0.00062 -0.00360
257 10F+2 -0.01280 0.01522 -0.00062 -0.02438 -0.02087
258 10F-2 0.02218 -0.00062 0.01595 -0.02087 -0.00029
259 10F+3 0.00000 -0.00035 -0.00020 -0.01368 -0.00790
260 10F-3 0.01373 -0.00369 0.00639 -0.02024 0.03506
261 8 H 1S 0.00163 0.01505 0.02606 -0.00448 -0.00776
262 2S 0.26137 0.33557 0.58122 -0.71463 -1.23777
263 3S -2.01811 3.35471 5.81053 -0.28212 -0.48864
264 4S -0.19808 -0.01532 -0.02653 0.13690 0.23711
265 5PX -0.02678 0.05698 0.06177 -0.00800 -0.00632
266 5PY -0.01546 -0.00403 0.05698 0.00291 -0.00800
267 5PZ -0.01570 -0.00457 -0.00792 0.00852 0.01476
268 6PX 0.25498 -0.63043 -0.72836 0.18752 0.24567
269 6PY 0.14722 -0.00040 -0.63043 0.02914 0.18752
270 6PZ 0.14456 0.09045 0.15667 -0.15097 -0.26150
271 7PX 0.32377 -0.73023 -1.21574 -0.29727 -0.85374
272 7PY 0.18693 -0.37253 -0.73023 -0.51048 -0.29727
273 7PZ -1.12178 0.59958 1.03850 0.37335 0.64666
274 8D 0 -0.00857 -0.03217 -0.05571 0.01422 0.02463
275 8D+1 -0.02967 -0.01296 0.00460 0.04286 0.04186
276 8D-1 -0.01713 0.01957 -0.01296 -0.00762 0.04286
277 8D+2 -0.02119 -0.02221 0.02895 0.00142 -0.04219
278 8D-2 -0.03670 0.02895 0.01122 -0.04219 -0.04730
279 9D 0 0.05066 0.22208 0.38465 -0.16606 -0.28763
280 9D+1 0.48882 0.04886 -0.21401 -0.37497 -0.40707
281 9D-1 0.28222 -0.27043 0.04886 0.02591 -0.37497
282 9D+2 0.17541 0.40406 -0.13882 -0.11861 0.51300
283 9D-2 0.30381 -0.13882 0.24376 0.51300 0.47375
284 10F 0 0.02895 -0.00011 -0.00019 -0.00842 -0.01459
285 10F+1 0.01588 0.01182 0.01551 0.00360 0.00354
286 10F-1 0.00917 0.00186 0.01182 -0.00062 0.00360
287 10F+2 -0.01280 0.01522 0.00062 -0.02438 0.02087
288 10F-2 -0.02218 0.00062 0.01595 0.02087 -0.00029
289 10F+3 0.00000 0.00035 -0.00020 0.01368 -0.00790
290 10F-3 0.01373 -0.00369 -0.00639 -0.02024 -0.03506
126 127 128 129 130
(A1G)--V (EG)--V (EG)--V (A2U)--V (A1G)--V
Eigenvalues -- 3.64115 3.69209 3.69209 3.71337 3.74703
1 1 C 1S -0.00802 0.00000 0.00000 -0.01833 -0.01061
2 2S -0.12851 0.00000 0.00000 -0.05451 -0.06922
3 3S -2.80878 0.00000 0.00000 -4.06343 -3.68358
4 4S 8.78998 0.00000 0.00000 20.44471 18.22426
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6 6PX 0.00000 0.03656 0.00000 0.00000 0.00000
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131 132 133 134 135
(EU)--V (EU)--V (EU)--V (EU)--V (EG)--V
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142 2S -0.05134 0.08892 -0.81916 -0.47294 0.84743
143 3S -4.26344 7.38449 -0.53865 -0.31099 8.07970
144 4S -0.36293 0.62862 0.10685 0.06169 0.28464
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146 5PY -0.00444 -0.08912 0.03271 0.04730 -0.07507
147 5PZ -0.03858 0.06682 0.11573 0.06682 0.02308
148 6PX -0.89244 1.00232 -1.01097 -0.37214 1.17772
149 6PY 0.02819 0.89244 -0.37214 -0.58126 0.83235
150 6PZ 0.40521 -0.70184 -1.12540 -0.64975 -0.22645
151 7PX -1.79989 2.15038 -0.58197 -0.68917 2.50005
152 7PY -0.07205 1.79989 -0.68917 0.21382 2.09099
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156 8D-1 -0.00789 0.00159 0.01127 0.02151 -0.02041
157 8D+2 0.03350 0.01444 -0.00234 0.01786 0.01645
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160 9D+1 0.46045 -0.69823 -0.59401 -0.31679 -0.08718
161 9D-1 0.16654 -0.46045 -0.31679 -0.22822 -0.06183
162 9D+2 -0.70886 0.06703 -0.34762 -0.17131 0.13438
163 9D-2 -0.06703 0.78626 -0.57270 -0.34762 0.80450
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172 2S -0.05134 -0.08892 0.81916 -0.47294 -0.84743
173 3S -4.26344 -7.38449 0.53865 -0.31099 -8.07970
174 4S -0.36293 -0.62862 -0.10685 0.06169 -0.28464
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176 5PY -0.00444 0.08912 -0.03271 0.04730 0.07507
177 5PZ -0.03858 -0.06682 -0.11573 0.06682 -0.02308
178 6PX 0.89244 1.00232 -1.01097 0.37214 1.17772
179 6PY 0.02819 -0.89244 0.37214 -0.58126 -0.83235
180 6PZ 0.40521 0.70184 1.12540 -0.64975 0.22645
181 7PX 1.79989 2.15038 -0.58197 0.68917 2.50005
182 7PY -0.07205 -1.79989 0.68917 0.21382 -2.09099
183 7PZ 0.88608 1.53473 0.87344 -0.50428 0.25806
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186 8D-1 -0.00789 -0.00159 -0.01127 0.02151 0.02041
187 8D+2 0.03350 -0.01444 0.00234 0.01786 -0.01645
188 8D-2 0.01444 -0.01682 0.01516 0.00234 -0.01034
189 9D 0 0.09189 0.15915 -0.66939 0.38647 0.71664
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191 9D-1 0.16654 0.46045 0.31679 -0.22822 0.06183
192 9D+2 -0.70886 -0.06703 0.34762 -0.17131 -0.13438
193 9D-2 0.06703 0.78626 -0.57270 0.34762 0.80450
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197 10F+2 0.02358 0.02398 0.02866 0.00849 0.00430
198 10F-2 -0.02398 -0.05127 -0.02460 0.02866 -0.03121
199 10F+3 0.01625 -0.00938 -0.02225 -0.03853 -0.00153
200 10F-3 -0.02835 -0.04911 0.02149 -0.01241 -0.03702
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219 9D 0 0.18377 0.00000 0.00000 0.77294 0.00000
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223 9D-2 0.00000 -0.67015 -0.02939 0.00000 0.57174
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226 10F-1 0.00205 0.00000 0.00000 0.09182 0.00000
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228 10F-2 0.00000 -0.00974 0.02504 0.00000 0.02377
229 10F+3 0.00000 0.01876 0.04449 0.00000 -0.00307
230 10F-3 0.05671 0.00000 0.00000 0.02481 0.00000
231 7 H 1S 0.02530 0.04383 0.02453 -0.01416 -0.01343
232 2S 0.05134 0.08892 -0.81916 0.47294 -0.84743
233 3S 4.26344 7.38449 -0.53865 0.31099 -8.07970
234 4S 0.36293 0.62862 0.10685 -0.06169 -0.28464
235 5PX -0.08912 -0.09847 0.08508 -0.03271 0.10226
236 5PY -0.00444 0.08912 -0.03271 0.04730 -0.07507
237 5PZ -0.03858 -0.06682 -0.11573 0.06682 0.02308
238 6PX 0.89244 1.00232 -1.01097 0.37214 -1.17772
239 6PY 0.02819 -0.89244 0.37214 -0.58126 0.83235
240 6PZ 0.40521 0.70184 1.12540 -0.64975 -0.22645
241 7PX 1.79989 2.15038 -0.58197 0.68917 -2.50005
242 7PY -0.07205 -1.79989 0.68917 0.21382 2.09099
243 7PZ 0.88608 1.53473 0.87344 -0.50428 -0.25806
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246 8D-1 0.00789 0.00159 0.01127 -0.02151 0.02041
247 8D+2 -0.03350 0.01444 -0.00234 -0.01786 -0.01645
248 8D-2 -0.01444 0.01682 -0.01516 -0.00234 -0.01034
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250 9D+1 0.46045 0.69823 0.59401 -0.31679 -0.08718
251 9D-1 -0.16654 -0.46045 -0.31679 0.22822 0.06183
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253 9D-2 -0.06703 -0.78626 0.57270 -0.34762 0.80450
254 10F 0 -0.02642 -0.04576 0.00457 -0.00264 0.00297
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256 10F-1 0.01280 -0.00620 -0.06275 -0.01687 0.00084
257 10F+2 0.02358 0.02398 0.02866 0.00849 -0.00430
258 10F-2 -0.02398 -0.05127 -0.02460 0.02866 0.03121
259 10F+3 0.01625 -0.00938 -0.02225 -0.03853 0.00153
260 10F-3 -0.02835 -0.04911 0.02149 -0.01241 0.03702
261 8 H 1S 0.02530 -0.04383 -0.02453 -0.01416 0.01343
262 2S 0.05134 -0.08892 0.81916 0.47294 0.84743
263 3S 4.26344 -7.38449 0.53865 0.31099 8.07970
264 4S 0.36293 -0.62862 -0.10685 -0.06169 0.28464
265 5PX 0.08912 -0.09847 0.08508 0.03271 0.10226
266 5PY -0.00444 -0.08912 0.03271 0.04730 0.07507
267 5PZ -0.03858 0.06682 0.11573 0.06682 -0.02308
268 6PX -0.89244 1.00232 -1.01097 -0.37214 -1.17772
269 6PY 0.02819 0.89244 -0.37214 -0.58126 -0.83235
270 6PZ 0.40521 -0.70184 -1.12540 -0.64975 0.22645
271 7PX -1.79989 2.15038 -0.58197 -0.68917 -2.50005
272 7PY -0.07205 1.79989 -0.68917 0.21382 -2.09099
273 7PZ 0.88608 -1.53473 -0.87344 -0.50428 0.25806
274 8D 0 -0.00022 0.00038 0.01174 0.00678 0.03573
275 8D+1 0.00159 -0.00972 -0.03453 -0.01127 -0.02822
276 8D-1 0.00789 -0.00159 -0.01127 -0.02151 -0.02041
277 8D+2 -0.03350 -0.01444 0.00234 -0.01786 0.01645
278 8D-2 0.01444 0.01682 -0.01516 0.00234 -0.01034
279 9D 0 -0.09189 0.15915 -0.66939 -0.38647 -0.71664
280 9D+1 -0.46045 0.69823 0.59401 0.31679 -0.08718
281 9D-1 -0.16654 0.46045 0.31679 0.22822 -0.06183
282 9D+2 0.70886 -0.06703 0.34762 0.17131 0.13438
283 9D-2 0.06703 -0.78626 0.57270 0.34762 0.80450
284 10F 0 -0.02642 0.04576 -0.00457 -0.00264 -0.00297
285 10F+1 -0.00620 -0.00564 0.05559 0.06275 0.00068
286 10F-1 0.01280 0.00620 0.06275 -0.01687 -0.00084
287 10F+2 0.02358 -0.02398 -0.02866 0.00849 0.00430
288 10F-2 0.02398 -0.05127 -0.02460 -0.02866 0.03121
289 10F+3 -0.01625 -0.00938 -0.02225 0.03853 0.00153
290 10F-3 -0.02835 0.04911 -0.02149 -0.01241 -0.03702
136 137 138 139 140
(EG)--V (A2G)--V (A2U)--V (A1G)--V (EG)--V
Eigenvalues -- 4.10591 4.13233 4.14655 4.15822 4.18963
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3 3S 0.00000 0.00000 1.45763 1.99003 0.00000
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26 11D+2 0.99698 0.00000 0.00000 0.00000 2.45189
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
28 12D 0 0.00000 0.00000 -2.06539 -0.38211 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
30 12D-1 -3.77458 0.00000 0.00000 0.00000 1.76197
31 12D+2 0.64992 0.00000 0.00000 0.00000 2.06383
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
33 13F 0 0.00000 0.00000 -0.07757 -0.01897 0.00000
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
35 13F-1 -0.00959 0.00000 0.00000 0.00000 -0.01481
36 13F+2 0.05505 0.00000 0.00000 0.00000 -0.01318
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 -0.05494 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 -0.03472 -0.02208 0.00000
40 14F 0 0.00000 0.00000 0.73479 0.57638 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.08371 0.00000 0.00000 0.00000 0.56793
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290 10F-3 0.02137 0.00000 -0.00762 -0.02942 0.00094
141 142 143 144 145
(EG)--V (EU)--V (EU)--V (A2U)--V (EG)--V
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55 15G-4 0.01565 -0.03717 0.00000 0.00000 0.00000
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58 3S 0.00000 0.00000 0.00000 -2.30548 0.00000
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289 10F+3 0.01392 0.01084 0.01878 0.00000 0.01023
290 10F-3 0.00163 -0.00663 0.00383 0.00021 -0.03901
146 147 148 149 150
(EG)--V (EU)--V (EU)--V (EG)--V (EG)--V
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81 11D+2 0.00000 0.28859 0.00000 0.00000 0.20225
82 11D-2 -0.06314 0.00000 0.28859 0.20225 0.00000
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87 12D-2 -0.07801 0.00000 0.70501 -0.30247 0.00000
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138 10F-2 -0.06589 0.00000 0.00176 -0.08477 0.00000
139 10F+3 -0.01181 0.00000 0.06660 0.19797 0.00000
140 10F-3 0.00000 0.05009 0.00000 0.00000 0.10884
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142 2S -0.15795 0.45897 0.79497 0.12859 0.07424
143 3S -0.18033 0.90672 1.57048 1.64498 0.94973
144 4S 0.08177 0.02191 0.03795 0.10310 0.05952
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146 5PY 0.02645 -0.00893 -0.03161 -0.00340 0.01272
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149 6PY -0.15400 0.14586 0.19228 0.12610 -0.36861
150 6PZ -0.26601 -0.01245 -0.02157 -0.51134 -0.29522
151 7PX -0.11473 0.22210 0.34109 0.28498 0.39832
152 7PY -0.08058 0.08462 0.22210 0.39832 -0.17496
153 7PZ -0.10121 0.08817 0.15271 -0.58501 -0.33775
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157 8D+2 0.00683 0.01422 -0.01146 -0.03040 0.03195
158 8D-2 0.02504 -0.01146 0.00098 -0.00316 -0.03040
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161 9D-1 -0.01789 0.03823 0.04161 -0.19453 -0.02678
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167 10F+2 0.03147 -0.00708 -0.01531 0.02126 -0.07250
168 10F-2 -0.01138 -0.01531 -0.02476 -0.04795 0.02126
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172 2S 0.15795 0.45897 -0.79497 -0.12859 0.07424
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176 5PY -0.02645 -0.00893 0.03161 0.00340 0.01272
177 5PZ -0.04233 -0.00285 0.00494 0.00227 -0.00131
178 6PX -0.10987 -0.19228 0.36789 -0.22301 -0.12610
179 6PY 0.15400 0.14586 -0.19228 -0.12610 -0.36861
180 6PZ 0.26601 -0.01245 0.02157 0.51134 -0.29522
181 7PX -0.11473 -0.22210 0.34109 0.28498 -0.39832
182 7PY 0.08058 0.08462 -0.22210 -0.39832 -0.17496
183 7PZ 0.10121 0.08817 -0.15271 0.58501 -0.33775
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186 8D-1 0.00261 -0.01960 0.02982 0.04343 -0.01394
187 8D+2 -0.00683 0.01422 0.01146 0.03040 0.03195
188 8D-2 0.02504 0.01146 0.00098 -0.00316 0.03040
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190 9D+1 -0.21622 -0.04161 0.08628 -0.25140 0.19453
191 9D-1 0.01789 0.03823 -0.04161 0.19453 -0.02678
192 9D+2 0.05239 -0.00110 -0.01610 0.23980 0.24284
193 9D-2 -0.14152 -0.01610 0.01750 -0.03406 0.23980
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196 10F-1 -0.08877 -0.02624 -0.12348 -0.09903 0.04411
197 10F+2 -0.03147 -0.00708 0.01531 -0.02126 -0.07250
198 10F-2 -0.01138 0.01531 -0.02476 -0.04795 -0.02126
199 10F+3 0.00591 -0.05768 -0.03330 -0.09899 -0.17145
200 10F-3 -0.06757 -0.02505 0.04338 0.09426 -0.05442
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204 4S 0.00000 0.04383 0.00000 0.00000 -0.11905
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207 5PZ 0.00000 0.00571 0.00000 0.00000 -0.00262
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213 7PZ 0.00000 -0.17634 0.00000 0.00000 -0.67551
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223 9D-2 -0.05077 0.00000 0.01040 0.38129 0.00000
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227 10F+2 0.00000 -0.03360 0.00000 0.00000 0.03567
228 10F-2 0.06589 0.00000 0.00176 0.08477 0.00000
229 10F+3 0.01181 0.00000 0.06660 -0.19797 0.00000
230 10F-3 0.00000 0.05009 0.00000 0.00000 -0.10884
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232 2S 0.15795 -0.45897 0.79497 -0.12859 0.07424
233 3S 0.18033 -0.90672 1.57048 -1.64498 0.94973
234 4S -0.08177 -0.02191 0.03795 -0.10310 0.05952
235 5PX -0.01361 0.03161 -0.04543 -0.00879 -0.00340
236 5PY 0.02645 -0.00893 0.03161 -0.00340 -0.01272
237 5PZ 0.04233 -0.00285 0.00494 -0.00227 0.00131
238 6PX 0.10987 -0.19228 0.36789 0.22301 0.12610
239 6PY -0.15400 0.14586 -0.19228 0.12610 0.36861
240 6PZ -0.26601 -0.01245 0.02157 -0.51134 0.29522
241 7PX 0.11473 -0.22210 0.34109 -0.28498 0.39832
242 7PY -0.08058 0.08462 -0.22210 0.39832 0.17496
243 7PZ -0.10121 0.08817 -0.15271 -0.58501 0.33775
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247 8D+2 -0.00683 -0.01422 -0.01146 0.03040 0.03195
248 8D-2 0.02504 -0.01146 -0.00098 -0.00316 0.03040
249 9D 0 -0.07210 0.12771 -0.22119 -0.26063 0.15047
250 9D+1 -0.21622 0.04161 -0.08628 -0.25140 0.19453
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253 9D-2 -0.14152 0.01610 -0.01750 -0.03406 0.23980
254 10F 0 -0.03984 -0.01307 0.02264 0.16854 -0.09731
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256 10F-1 0.08877 -0.02624 -0.12348 0.09903 -0.04411
257 10F+2 0.03147 -0.00708 0.01531 0.02126 0.07250
258 10F-2 0.01138 0.01531 -0.02476 0.04795 0.02126
259 10F+3 -0.00591 -0.05768 -0.03330 0.09899 0.17145
260 10F-3 0.06757 -0.02505 0.04338 -0.09426 0.05442
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262 2S -0.15795 -0.45897 -0.79497 0.12859 0.07424
263 3S -0.18033 -0.90672 -1.57048 1.64498 0.94973
264 4S 0.08177 -0.02191 -0.03795 0.10310 0.05952
265 5PX -0.01361 -0.03161 -0.04543 -0.00879 0.00340
266 5PY -0.02645 -0.00893 -0.03161 0.00340 -0.01272
267 5PZ -0.04233 -0.00285 -0.00494 0.00227 0.00131
268 6PX 0.10987 0.19228 0.36789 0.22301 -0.12610
269 6PY 0.15400 0.14586 0.19228 -0.12610 0.36861
270 6PZ 0.26601 -0.01245 -0.02157 0.51134 0.29522
271 7PX 0.11473 0.22210 0.34109 -0.28498 -0.39832
272 7PY 0.08058 0.08462 0.22210 -0.39832 0.17496
273 7PZ 0.10121 0.08817 0.15271 0.58501 0.33775
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275 8D+1 0.04499 0.02982 0.05403 -0.06409 -0.04343
276 8D-1 -0.00261 0.01960 0.02982 -0.04343 -0.01394
277 8D+2 0.00683 -0.01422 0.01146 -0.03040 0.03195
278 8D-2 0.02504 0.01146 -0.00098 -0.00316 -0.03040
279 9D 0 0.07210 0.12771 0.22119 0.26063 0.15047
280 9D+1 -0.21622 -0.04161 -0.08628 -0.25140 -0.19453
281 9D-1 -0.01789 -0.03823 -0.04161 -0.19453 -0.02678
282 9D+2 -0.05239 0.00110 -0.01610 -0.23980 0.24284
283 9D-2 -0.14152 -0.01610 -0.01750 -0.03406 -0.23980
284 10F 0 0.03984 -0.01307 -0.02264 -0.16854 -0.09731
285 10F+1 -0.00928 0.12348 0.11634 -0.15847 -0.09903
286 10F-1 -0.08877 -0.02624 0.12348 -0.09903 -0.04411
287 10F+2 -0.03147 -0.00708 -0.01531 -0.02126 0.07250
288 10F-2 0.01138 -0.01531 -0.02476 0.04795 -0.02126
289 10F+3 -0.00591 0.05768 -0.03330 0.09899 -0.17145
290 10F-3 -0.06757 -0.02505 -0.04338 0.09426 0.05442
151 152 153 154 155
(A1U)--V (A1G)--V (A2U)--V (EU)--V (EU)--V
Eigenvalues -- 5.66878 5.67545 5.73020 5.82825 5.82825
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27 11D-2 0.00000 0.00000 0.00000 0.00000 0.46308
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35 13F-1 0.00000 0.00000 0.00000 -0.03123 0.00000
36 13F+2 0.00000 0.00000 0.00000 -0.06745 0.00000
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45 14F+3 1.14198 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 -0.25893 0.47386 0.00000 0.00000
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49 15G-1 0.00000 0.00000 0.00000 0.02089 0.00000
50 15G+2 0.00000 0.00000 0.00000 -0.18295 0.00000
51 15G-2 0.00000 0.00000 0.00000 0.00000 -0.18295
52 15G+3 0.58793 0.00000 0.00000 0.00000 0.00000
53 15G-3 0.00000 -0.42474 -0.29649 0.00000 0.00000
54 15G+4 0.00000 0.00000 0.00000 0.55967 0.00000
55 15G-4 0.00000 0.00000 0.00000 0.00000 -0.55967
56 2 C 1S 0.00000 0.02385 -0.00391 0.00000 0.00000
57 2S 0.00000 -0.09937 -0.01231 0.00000 0.00000
58 3S 0.00000 -1.41560 -0.54178 0.00000 0.00000
59 4S 0.00000 2.99317 1.15255 0.00000 0.00000
60 5S 0.00000 -0.38929 1.81245 0.00000 0.00000
61 6PX 0.00000 0.00000 0.00000 0.00000 0.17204
62 6PY 0.00000 0.00000 0.00000 0.17204 0.00000
63 6PZ 0.00000 -0.60036 0.41885 0.00000 0.00000
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65 7PY 0.00000 0.00000 0.00000 -0.48060 0.00000
66 7PZ 0.00000 0.86867 -0.72879 0.00000 0.00000
67 8PX 0.00000 0.00000 0.00000 0.00000 1.78650
68 8PY 0.00000 0.00000 0.00000 1.78650 0.00000
69 8PZ 0.00000 -1.75398 7.29827 0.00000 0.00000
70 9PX 0.00000 0.00000 0.00000 0.00000 0.47075
71 9PY 0.00000 0.00000 0.00000 0.47075 0.00000
72 9PZ 0.00000 -0.49412 1.59605 0.00000 0.00000
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75 10D-1 0.00000 0.00000 0.00000 -0.14316 0.00000
76 10D+2 0.00000 0.00000 0.00000 -0.05282 0.00000
77 10D-2 0.00000 0.00000 0.00000 0.00000 -0.05282
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80 11D-1 0.00000 0.00000 0.00000 0.25688 0.00000
81 11D+2 0.00000 0.00000 0.00000 -0.46308 0.00000
82 11D-2 0.00000 0.00000 0.00000 0.00000 -0.46308
83 12D 0 0.00000 -0.69346 1.19863 0.00000 0.00000
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85 12D-1 0.00000 0.00000 0.00000 -0.33891 0.00000
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93 13F+3 -0.36907 0.00000 0.00000 0.00000 0.00000
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104 15G-1 0.00000 0.00000 0.00000 -0.02089 0.00000
105 15G+2 0.00000 0.00000 0.00000 0.18295 0.00000
106 15G-2 0.00000 0.00000 0.00000 0.00000 0.18295
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276 8D-1 0.06305 -0.00046 -0.00647 0.05418 -0.00196
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282 9D+2 0.25712 0.04600 0.05829 -0.30507 0.29866
283 9D-2 -0.14845 0.07968 0.10096 0.29866 0.03979
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288 10F-2 -0.09994 0.00989 -0.14203 0.01810 0.09854
289 10F+3 -0.18776 0.00000 0.00000 0.13835 -0.07987
290 10F-3 0.00000 -0.01555 -0.06753 -0.04028 -0.06976
156 157 158 159 160
(A2G)--V (EU)--V (EU)--V (A1G)--V (EG)--V
Eigenvalues -- 5.86705 6.05530 6.05530 6.05595 6.14952
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59 4S 0.00000 0.00000 0.00000 4.80680 0.00000
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130 9D+1 -0.21506 0.00000 0.02567 0.00000 0.00000
131 9D-1 0.00000 -0.05127 0.00000 -0.40351 0.27063
132 9D+2 0.00000 -0.16555 0.00000 0.07333 0.02753
133 9D-2 -0.31163 0.00000 0.39698 0.00000 0.00000
134 10F 0 0.00000 -0.05066 0.00000 0.05779 0.04296
135 10F+1 -0.00721 0.00000 0.18790 0.00000 0.00000
136 10F-1 0.00000 0.19341 0.00000 0.10337 -0.02922
137 10F+2 0.00000 0.26765 0.00000 -0.12538 0.02979
138 10F-2 0.20532 0.00000 -0.18385 0.00000 0.00000
139 10F+3 -0.21773 0.00000 0.03307 0.00000 0.00000
140 10F-3 0.00000 -0.18434 0.00000 -0.01708 -0.19505
141 4 H 1S 0.00000 -0.03840 -0.06651 -0.07394 -0.02957
142 2S 0.00000 0.10251 0.17755 -0.43276 0.34012
143 3S 0.00000 0.87350 1.51295 -1.88379 0.56746
144 4S 0.00000 0.13870 0.24023 -0.12315 0.05422
145 5PX -0.02007 0.00772 -0.01695 0.07262 -0.01755
146 5PY 0.03477 -0.02586 0.00772 0.04193 -0.02040
147 5PZ 0.00000 0.01772 0.03070 -0.04315 0.01322
148 6PX -0.25693 0.08946 -0.12278 -0.28201 0.37056
149 6PY 0.44502 -0.22608 0.08946 -0.16282 -0.13307
150 6PZ 0.00000 -0.11977 -0.20745 0.56933 0.08935
151 7PX -0.18966 0.29863 0.15109 -0.27574 0.11673
152 7PY 0.32851 -0.19374 0.29863 -0.15920 -0.09141
153 7PZ 0.00000 -0.12146 -0.21037 0.89137 -0.16331
154 8D 0 0.00000 0.00979 0.01696 -0.03557 -0.00466
155 8D+1 0.02727 0.00937 0.02153 -0.00458 0.00512
156 8D-1 -0.04724 0.01070 0.00937 -0.00265 -0.03054
157 8D+2 -0.06606 0.05328 -0.00049 -0.00471 0.04917
158 8D-2 0.03814 -0.00049 0.05272 -0.00815 0.02624
159 9D 0 0.00000 0.06726 0.11650 -0.37361 -0.01744
160 9D+1 0.10753 -0.03331 -0.03203 0.34945 0.07594
161 9D-1 -0.18625 0.00643 -0.03331 0.20175 0.13909
162 9D+2 -0.26988 0.25635 -0.24358 -0.03667 0.28098
163 9D-2 0.15582 -0.24358 -0.02491 -0.06351 -0.14633
164 10F 0 0.00000 0.02533 0.04387 0.05779 -0.02148
165 10F+1 0.00360 0.00238 0.19203 -0.08952 -0.10763
166 10F-1 -0.00624 0.18928 0.00238 -0.05169 0.15720
167 10F+2 0.17782 -0.07097 0.19551 0.06269 -0.03195
168 10F-2 -0.10266 0.19551 0.15478 0.10858 0.03564
169 10F+3 -0.21773 0.02864 -0.01653 0.00000 0.14837
170 10F-3 0.00000 0.09217 0.15964 -0.01708 0.09753
171 5 H 1S 0.00000 -0.03840 0.06651 -0.07394 -0.02957
172 2S 0.00000 0.10251 -0.17755 -0.43276 0.34012
173 3S 0.00000 0.87350 -1.51295 -1.88379 0.56746
174 4S 0.00000 0.13870 -0.24023 -0.12315 0.05422
175 5PX -0.02007 -0.00772 -0.01695 -0.07262 0.01755
176 5PY -0.03477 -0.02586 -0.00772 0.04193 -0.02040
177 5PZ 0.00000 0.01772 -0.03070 -0.04315 0.01322
178 6PX -0.25693 -0.08946 -0.12278 0.28201 -0.37056
179 6PY -0.44502 -0.22608 -0.08946 -0.16282 -0.13307
180 6PZ 0.00000 -0.11977 0.20745 0.56933 0.08935
181 7PX -0.18966 -0.29863 0.15109 0.27574 -0.11673
182 7PY -0.32851 -0.19374 -0.29863 -0.15920 -0.09141
183 7PZ 0.00000 -0.12146 0.21037 0.89137 -0.16331
184 8D 0 0.00000 0.00979 -0.01696 -0.03557 -0.00466
185 8D+1 0.02727 -0.00937 0.02153 0.00458 -0.00512
186 8D-1 0.04724 0.01070 -0.00937 -0.00265 -0.03054
187 8D+2 0.06606 0.05328 0.00049 -0.00471 0.04917
188 8D-2 0.03814 0.00049 0.05272 0.00815 -0.02624
189 9D 0 0.00000 0.06726 -0.11650 -0.37361 -0.01744
190 9D+1 0.10753 0.03331 -0.03203 -0.34945 -0.07594
191 9D-1 0.18625 0.00643 0.03331 0.20175 0.13909
192 9D+2 0.26988 0.25635 0.24358 -0.03667 0.28098
193 9D-2 0.15582 0.24358 -0.02491 0.06351 0.14633
194 10F 0 0.00000 0.02533 -0.04387 0.05779 -0.02148
195 10F+1 0.00360 -0.00238 0.19203 0.08952 0.10763
196 10F-1 0.00624 0.18928 -0.00238 -0.05169 0.15720
197 10F+2 -0.17782 -0.07097 -0.19551 0.06269 -0.03195
198 10F-2 -0.10266 -0.19551 0.15478 -0.10858 -0.03564
199 10F+3 -0.21773 -0.02864 -0.01653 0.00000 -0.14837
200 10F-3 0.00000 0.09217 -0.15964 -0.01708 0.09753
201 6 H 1S 0.00000 -0.07680 0.00000 -0.07394 0.05914
202 2S 0.00000 0.20501 0.00000 -0.43276 -0.68023
203 3S 0.00000 1.74700 0.00000 -1.88379 -1.13492
204 4S 0.00000 0.27739 0.00000 -0.12315 -0.10844
205 5PX -0.04015 0.00000 -0.03032 0.00000 0.00000
206 5PY 0.00000 -0.01249 0.00000 0.08386 0.05080
207 5PZ 0.00000 -0.03545 0.00000 0.04315 0.02645
208 6PX -0.51386 0.00000 -0.27773 0.00000 0.00000
209 6PY 0.00000 -0.07113 0.00000 -0.32564 -0.50877
210 6PZ 0.00000 0.23955 0.00000 -0.56933 0.17869
211 7PX -0.37933 0.00000 -0.36615 0.00000 0.00000
212 7PY 0.00000 0.32350 0.00000 -0.31839 -0.11078
213 7PZ 0.00000 0.24291 0.00000 -0.89137 -0.32661
214 8D 0 0.00000 0.01958 0.00000 -0.03557 0.00931
215 8D+1 -0.05455 0.00000 -0.00529 0.00000 0.00000
216 8D-1 0.00000 -0.02694 0.00000 0.00529 -0.02168
217 8D+2 0.00000 -0.05244 0.00000 0.00941 0.09461
218 8D-2 -0.07628 0.00000 -0.05356 0.00000 0.00000
219 9D 0 0.00000 0.13452 0.00000 -0.37361 0.03488
220 9D+1 -0.21506 0.00000 -0.02567 0.00000 0.00000
221 9D-1 0.00000 0.05127 0.00000 -0.40351 0.27063
222 9D+2 0.00000 0.16555 0.00000 0.07333 0.02753
223 9D-2 -0.31163 0.00000 -0.39698 0.00000 0.00000
224 10F 0 0.00000 -0.05066 0.00000 -0.05779 -0.04296
225 10F+1 0.00721 0.00000 0.18790 0.00000 0.00000
226 10F-1 0.00000 0.19341 0.00000 -0.10337 0.02922
227 10F+2 0.00000 0.26765 0.00000 0.12538 -0.02979
228 10F-2 -0.20532 0.00000 -0.18385 0.00000 0.00000
229 10F+3 0.21773 0.00000 0.03307 0.00000 0.00000
230 10F-3 0.00000 -0.18434 0.00000 0.01708 0.19505
231 7 H 1S 0.00000 0.03840 -0.06651 -0.07394 -0.02957
232 2S 0.00000 -0.10251 0.17755 -0.43276 0.34012
233 3S 0.00000 -0.87350 1.51295 -1.88379 0.56746
234 4S 0.00000 -0.13870 0.24023 -0.12315 0.05422
235 5PX 0.02007 -0.00772 -0.01695 0.07262 -0.01755
236 5PY 0.03477 -0.02586 -0.00772 -0.04193 0.02040
237 5PZ 0.00000 0.01772 -0.03070 0.04315 -0.01322
238 6PX 0.25693 -0.08946 -0.12278 -0.28201 0.37056
239 6PY 0.44502 -0.22608 -0.08946 0.16282 0.13307
240 6PZ 0.00000 -0.11977 0.20745 -0.56933 -0.08935
241 7PX 0.18966 -0.29863 0.15109 -0.27574 0.11673
242 7PY 0.32851 -0.19374 -0.29863 0.15920 0.09141
243 7PZ 0.00000 -0.12146 0.21037 -0.89137 0.16331
244 8D 0 0.00000 -0.00979 0.01696 -0.03557 -0.00466
245 8D+1 0.02727 0.00937 -0.02153 0.00458 -0.00512
246 8D-1 0.04724 -0.01070 0.00937 -0.00265 -0.03054
247 8D+2 0.06606 -0.05328 -0.00049 -0.00471 0.04917
248 8D-2 0.03814 -0.00049 -0.05272 0.00815 -0.02624
249 9D 0 0.00000 -0.06726 0.11650 -0.37361 -0.01744
250 9D+1 0.10753 -0.03331 0.03203 -0.34945 -0.07594
251 9D-1 0.18625 -0.00643 -0.03331 0.20175 0.13909
252 9D+2 0.26988 -0.25635 -0.24358 -0.03667 0.28098
253 9D-2 0.15582 -0.24358 0.02491 0.06351 0.14633
254 10F 0 0.00000 0.02533 -0.04387 -0.05779 0.02148
255 10F+1 -0.00360 -0.00238 0.19203 -0.08952 -0.10763
256 10F-1 -0.00624 0.18928 -0.00238 0.05169 -0.15720
257 10F+2 0.17782 -0.07097 -0.19551 -0.06269 0.03195
258 10F-2 0.10266 -0.19551 0.15478 0.10858 0.03564
259 10F+3 0.21773 -0.02864 -0.01653 0.00000 0.14837
260 10F-3 0.00000 0.09217 -0.15964 0.01708 -0.09753
261 8 H 1S 0.00000 0.03840 0.06651 -0.07394 -0.02957
262 2S 0.00000 -0.10251 -0.17755 -0.43276 0.34012
263 3S 0.00000 -0.87350 -1.51295 -1.88379 0.56746
264 4S 0.00000 -0.13870 -0.24023 -0.12315 0.05422
265 5PX 0.02007 0.00772 -0.01695 -0.07262 0.01755
266 5PY -0.03477 -0.02586 0.00772 -0.04193 0.02040
267 5PZ 0.00000 0.01772 0.03070 0.04315 -0.01322
268 6PX 0.25693 0.08946 -0.12278 0.28201 -0.37056
269 6PY -0.44502 -0.22608 0.08946 0.16282 0.13307
270 6PZ 0.00000 -0.11977 -0.20745 -0.56933 -0.08935
271 7PX 0.18966 0.29863 0.15109 0.27574 -0.11673
272 7PY -0.32851 -0.19374 0.29863 0.15920 0.09141
273 7PZ 0.00000 -0.12146 -0.21037 -0.89137 0.16331
274 8D 0 0.00000 -0.00979 -0.01696 -0.03557 -0.00466
275 8D+1 0.02727 -0.00937 -0.02153 -0.00458 0.00512
276 8D-1 -0.04724 -0.01070 -0.00937 -0.00265 -0.03054
277 8D+2 -0.06606 -0.05328 0.00049 -0.00471 0.04917
278 8D-2 0.03814 0.00049 -0.05272 -0.00815 0.02624
279 9D 0 0.00000 -0.06726 -0.11650 -0.37361 -0.01744
280 9D+1 0.10753 0.03331 0.03203 0.34945 0.07594
281 9D-1 -0.18625 -0.00643 0.03331 0.20175 0.13909
282 9D+2 -0.26988 -0.25635 0.24358 -0.03667 0.28098
283 9D-2 0.15582 0.24358 0.02491 -0.06351 -0.14633
284 10F 0 0.00000 0.02533 0.04387 -0.05779 0.02148
285 10F+1 -0.00360 0.00238 0.19203 0.08952 0.10763
286 10F-1 0.00624 0.18928 0.00238 0.05169 -0.15720
287 10F+2 -0.17782 -0.07097 0.19551 -0.06269 0.03195
288 10F-2 0.10266 0.19551 0.15478 -0.10858 -0.03564
289 10F+3 0.21773 0.02864 -0.01653 0.00000 -0.14837
290 10F-3 0.00000 0.09217 0.15964 0.01708 -0.09753
161 162 163 164 165
(EG)--V (EG)--V (EG)--V (A2G)--V (A2U)--V
Eigenvalues -- 6.14952 6.22299 6.22299 6.24516 6.27508
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2 2S 0.00000 0.00000 0.00000 0.00000 -0.10223
3 3S 0.00000 0.00000 0.00000 0.00000 -2.16281
4 4S 0.00000 0.00000 0.00000 0.00000 4.76902
5 5S 0.00000 0.00000 0.00000 0.00000 0.81458
6 6PX 0.28289 0.00000 0.27889 0.00000 0.00000
7 6PY 0.00000 0.27889 0.00000 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.00000 -0.01470
9 7PX -0.68633 0.00000 -0.46250 0.00000 0.00000
10 7PY 0.00000 -0.46250 0.00000 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.00000 -0.41025
12 8PX 4.33864 0.00000 0.47986 0.00000 0.00000
13 8PY 0.00000 0.47986 0.00000 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 0.00000 1.71154
15 9PX 0.77200 0.00000 -0.03251 0.00000 0.00000
16 9PY 0.00000 -0.03251 0.00000 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.12915
18 10D 0 0.00000 0.00000 0.00000 0.00000 -0.00770
19 10D+1 -0.16085 0.00000 -0.12771 0.00000 0.00000
20 10D-1 0.00000 -0.12771 0.00000 0.00000 0.00000
21 10D+2 0.00000 0.11754 0.00000 0.00000 0.00000
22 10D-2 -0.05310 0.00000 0.11754 0.00000 0.00000
23 11D 0 0.00000 0.00000 0.00000 0.00000 -0.02620
24 11D+1 0.37633 0.00000 0.01085 0.00000 0.00000
25 11D-1 0.00000 0.01085 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.12701 0.00000 0.00000 0.00000
27 11D-2 0.30824 0.00000 0.12701 0.00000 0.00000
28 12D 0 0.00000 0.00000 0.00000 0.00000 -0.53760
29 12D+1 -1.61586 0.00000 0.21365 0.00000 0.00000
30 12D-1 0.00000 0.21365 0.00000 0.00000 0.00000
31 12D+2 0.00000 -0.08482 0.00000 0.00000 0.00000
32 12D-2 -0.48640 0.00000 -0.08482 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.10563
34 13F+1 -0.37474 0.00000 0.03692 0.00000 0.00000
35 13F-1 0.00000 0.03692 0.00000 0.00000 0.00000
36 13F+2 0.00000 -0.10361 0.00000 0.00000 0.00000
37 13F-2 -0.24886 0.00000 -0.10361 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 -0.02522 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.48245
40 14F 0 0.00000 0.00000 0.00000 0.00000 -0.88107
41 14F+1 1.36324 0.00000 0.25108 0.00000 0.00000
42 14F-1 0.00000 0.25108 0.00000 0.00000 0.00000
43 14F+2 0.00000 0.10165 0.00000 0.00000 0.00000
44 14F-2 0.04217 0.00000 0.10165 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.70091 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 -1.28810
47 15G 0 0.00000 0.00000 0.00000 0.00000 0.05852
48 15G+1 -0.56515 0.00000 -0.01643 0.00000 0.00000
49 15G-1 0.00000 -0.01643 0.00000 0.00000 0.00000
50 15G+2 0.00000 -0.05284 0.00000 0.00000 0.00000
51 15G-2 -0.17132 0.00000 -0.05284 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.16994 0.00000
53 15G-3 0.00000 0.00000 0.00000 0.00000 -0.85425
54 15G+4 0.00000 -0.05147 0.00000 0.00000 0.00000
55 15G-4 -0.31120 0.00000 0.05147 0.00000 0.00000
56 2 C 1S 0.00000 0.00000 0.00000 0.00000 -0.01374
57 2S 0.00000 0.00000 0.00000 0.00000 0.10223
58 3S 0.00000 0.00000 0.00000 0.00000 2.16281
59 4S 0.00000 0.00000 0.00000 0.00000 -4.76902
60 5S 0.00000 0.00000 0.00000 0.00000 -0.81458
61 6PX -0.28289 0.00000 -0.27889 0.00000 0.00000
62 6PY 0.00000 -0.27889 0.00000 0.00000 0.00000
63 6PZ 0.00000 0.00000 0.00000 0.00000 -0.01470
64 7PX 0.68633 0.00000 0.46250 0.00000 0.00000
65 7PY 0.00000 0.46250 0.00000 0.00000 0.00000
66 7PZ 0.00000 0.00000 0.00000 0.00000 -0.41025
67 8PX -4.33864 0.00000 -0.47986 0.00000 0.00000
68 8PY 0.00000 -0.47986 0.00000 0.00000 0.00000
69 8PZ 0.00000 0.00000 0.00000 0.00000 1.71154
70 9PX -0.77200 0.00000 0.03251 0.00000 0.00000
71 9PY 0.00000 0.03251 0.00000 0.00000 0.00000
72 9PZ 0.00000 0.00000 0.00000 0.00000 0.12915
73 10D 0 0.00000 0.00000 0.00000 0.00000 0.00770
74 10D+1 -0.16085 0.00000 -0.12771 0.00000 0.00000
75 10D-1 0.00000 -0.12771 0.00000 0.00000 0.00000
76 10D+2 0.00000 0.11754 0.00000 0.00000 0.00000
77 10D-2 -0.05310 0.00000 0.11754 0.00000 0.00000
78 11D 0 0.00000 0.00000 0.00000 0.00000 0.02620
79 11D+1 0.37633 0.00000 0.01085 0.00000 0.00000
80 11D-1 0.00000 0.01085 0.00000 0.00000 0.00000
81 11D+2 0.00000 0.12701 0.00000 0.00000 0.00000
82 11D-2 0.30824 0.00000 0.12701 0.00000 0.00000
83 12D 0 0.00000 0.00000 0.00000 0.00000 0.53760
84 12D+1 -1.61586 0.00000 0.21365 0.00000 0.00000
85 12D-1 0.00000 0.21365 0.00000 0.00000 0.00000
86 12D+2 0.00000 -0.08482 0.00000 0.00000 0.00000
87 12D-2 -0.48640 0.00000 -0.08482 0.00000 0.00000
88 13F 0 0.00000 0.00000 0.00000 0.00000 0.10563
89 13F+1 0.37474 0.00000 -0.03692 0.00000 0.00000
90 13F-1 0.00000 -0.03692 0.00000 0.00000 0.00000
91 13F+2 0.00000 0.10361 0.00000 0.00000 0.00000
92 13F-2 0.24886 0.00000 0.10361 0.00000 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.02522 0.00000
94 13F-3 0.00000 0.00000 0.00000 0.00000 0.48245
95 14F 0 0.00000 0.00000 0.00000 0.00000 -0.88107
96 14F+1 -1.36324 0.00000 -0.25108 0.00000 0.00000
97 14F-1 0.00000 -0.25108 0.00000 0.00000 0.00000
98 14F+2 0.00000 -0.10165 0.00000 0.00000 0.00000
99 14F-2 -0.04217 0.00000 -0.10165 0.00000 0.00000
100 14F+3 0.00000 0.00000 0.00000 -0.70091 0.00000
101 14F-3 0.00000 0.00000 0.00000 0.00000 -1.28810
102 15G 0 0.00000 0.00000 0.00000 0.00000 -0.05852
103 15G+1 -0.56515 0.00000 -0.01643 0.00000 0.00000
104 15G-1 0.00000 -0.01643 0.00000 0.00000 0.00000
105 15G+2 0.00000 -0.05284 0.00000 0.00000 0.00000
106 15G-2 -0.17132 0.00000 -0.05284 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.16994 0.00000
108 15G-3 0.00000 0.00000 0.00000 0.00000 0.85425
109 15G+4 0.00000 -0.05147 0.00000 0.00000 0.00000
110 15G-4 -0.31120 0.00000 0.05147 0.00000 0.00000
111 3 H 1S 0.00000 0.12661 0.00000 0.00000 0.10878
112 2S 0.00000 0.03195 0.00000 0.00000 -1.43090
113 3S 0.00000 -0.37832 0.00000 0.00000 -0.87989
114 4S 0.00000 -0.09950 0.00000 0.00000 -0.10376
115 5PX -0.01027 0.00000 -0.02302 0.02041 0.00000
116 5PY 0.00000 0.06997 0.00000 0.00000 0.07897
117 5PZ 0.00000 0.03773 0.00000 0.00000 0.08095
118 6PX -0.34702 0.00000 -0.02213 0.27157 0.00000
119 6PY 0.00000 -0.19450 0.00000 0.00000 0.32674
120 6PZ 0.00000 -0.22522 0.00000 0.00000 0.00386
121 7PX -0.15880 0.00000 0.00962 0.20813 0.00000
122 7PY 0.00000 0.27726 0.00000 0.00000 0.17178
123 7PZ 0.00000 0.01652 0.00000 0.00000 0.08336
124 8D 0 0.00000 -0.00827 0.00000 0.00000 0.01378
125 8D+1 -0.03349 0.00000 -0.00726 0.01470 0.00000
126 8D-1 0.00000 -0.04908 0.00000 0.00000 -0.08221
127 8D+2 0.00000 0.02365 0.00000 0.00000 0.07286
128 8D-2 0.03402 0.00000 0.00444 -0.00506 0.00000
129 9D 0 0.00000 0.02978 0.00000 0.00000 -0.03643
130 9D+1 0.09525 0.00000 -0.06659 -0.12608 0.00000
131 9D-1 0.00000 0.16404 0.00000 0.00000 0.19753
132 9D+2 0.00000 -0.02398 0.00000 0.00000 -0.06559
133 9D-2 0.36546 0.00000 0.01239 -0.21202 0.00000
134 10F 0 0.00000 0.30050 0.00000 0.00000 -0.01923
135 10F+1 0.21934 0.00000 -0.04383 0.29591 0.00000
136 10F-1 0.00000 -0.10115 0.00000 0.00000 0.04974
137 10F+2 0.00000 -0.34060 0.00000 0.00000 0.01304
138 10F-2 -0.05253 0.00000 -0.05671 -0.19679 0.00000
139 10F+3 0.17132 0.00000 0.11347 -0.20515 0.00000
140 10F-3 0.00000 0.19017 0.00000 0.00000 -0.02431
141 4 H 1S -0.05121 -0.06330 -0.10964 0.00000 0.10878
142 2S 0.58910 -0.01597 -0.02767 0.00000 -1.43090
143 3S 0.98287 0.18916 0.32764 0.00000 -0.87989
144 4S 0.09391 0.04975 0.08617 0.00000 -0.10376
145 5PX -0.04066 0.04026 0.04672 -0.01020 -0.06839
146 5PY -0.01755 0.00023 0.04026 0.01767 -0.03948
147 5PZ 0.02290 -0.01887 -0.03268 0.00000 0.08095
148 6PX 0.29482 -0.07464 -0.15141 -0.13579 -0.28296
149 6PY 0.37056 -0.06522 -0.07464 0.23519 -0.16337
150 6PZ 0.15475 0.11261 0.19505 0.00000 0.00386
151 7PX 0.04338 0.11589 0.21035 -0.10406 -0.14877
152 7PY 0.11673 0.07653 0.11589 0.18024 -0.08589
153 7PZ -0.28286 -0.00826 -0.01430 0.00000 0.08336
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166 167 168 169 170
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171 172 173 174 175
(EU)--V (EU)--V (A2U)--V (A1U)--V (EU)--V
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196 10F-1 -0.06749 -0.05353 0.07988 -0.09914 0.13726
197 10F+2 -0.12738 -0.05164 -0.03215 0.00940 -0.05376
198 10F-2 0.09544 -0.12738 0.05569 0.00543 0.01688
199 10F+3 0.00345 0.00598 0.00000 0.00727 0.15045
200 10F-3 0.29929 -0.17280 0.03605 0.00000 0.00970
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230 10F-3 0.00000 0.34559 0.03605 0.00000 -0.01940
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232 2S -0.48237 0.27850 0.56679 0.00000 -0.59577
233 3S -0.44794 0.25862 0.92393 0.00000 -1.03522
234 4S 0.20408 -0.11782 0.07418 0.00000 -0.05931
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236 5PY -0.06816 0.00612 -0.01681 0.07050 0.09693
237 5PZ 0.03886 -0.02244 -0.07508 0.00000 -0.00400
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239 6PY 0.34006 -0.44919 -0.13628 -0.67290 -0.15605
240 6PZ -0.01353 0.00781 0.12417 0.00000 -0.18933
241 7PX -0.30253 0.06878 0.32721 -0.19406 -0.34129
242 7PY 0.06878 -0.22311 -0.18891 -0.33613 -0.06080
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253 9D-2 0.23824 -0.31440 0.03215 -0.29164 -0.18420
254 10F 0 0.23459 -0.13544 -0.03594 0.00000 -0.04537
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257 10F+2 -0.12738 -0.05164 -0.03215 0.00940 -0.05376
258 10F-2 0.09544 -0.12738 0.05569 0.00543 0.01688
259 10F+3 0.00345 0.00598 0.00000 0.00727 0.15045
260 10F-3 0.29929 -0.17280 0.03605 0.00000 0.00970
261 8 H 1S 0.18007 0.10397 0.00457 0.00000 0.07123
262 2S 0.48237 0.27850 0.56679 0.00000 -0.59577
263 3S 0.44794 0.25862 0.92393 0.00000 -1.03522
264 4S -0.20408 -0.11782 0.07418 0.00000 -0.05931
265 5PX 0.08483 0.06816 -0.02912 0.04071 -0.01735
266 5PY 0.06816 0.00612 -0.01681 -0.07050 0.09693
267 5PZ -0.03886 -0.02244 -0.07508 0.00000 -0.00400
268 6PX -0.84186 -0.34006 -0.23605 -0.38850 0.20080
269 6PY -0.34006 -0.44919 -0.13628 0.67290 -0.15605
270 6PZ 0.01353 0.00781 0.12417 0.00000 -0.18933
271 7PX -0.30253 -0.06878 -0.32721 -0.19406 0.34129
272 7PY -0.06878 -0.22311 -0.18891 0.33613 -0.06080
273 7PZ 0.01314 0.00759 -0.12406 0.00000 -0.10879
274 8D 0 0.00603 0.00348 -0.06162 0.00000 0.03174
275 8D+1 -0.07293 -0.03876 0.01866 -0.01216 -0.00231
276 8D-1 -0.03876 -0.02817 0.01078 0.02107 0.04878
277 8D+2 0.02179 0.04213 0.00463 -0.10234 0.02140
278 8D-2 0.06729 0.02179 0.00801 0.05909 -0.08440
279 9D 0 -0.26982 -0.15578 -0.16392 0.00000 -0.07006
280 9D+1 -0.04069 0.00257 -0.01103 -0.12940 0.12655
281 9D-1 0.00257 -0.04367 -0.00637 0.22412 -0.10102
282 9D+2 0.31440 -0.12480 -0.01856 0.50513 -0.09468
283 9D-2 0.23824 0.31440 -0.03215 -0.29164 0.18420
284 10F 0 -0.23459 -0.13544 -0.03594 0.00000 -0.04537
285 10F+1 0.02441 0.06749 0.13836 -0.05724 -0.10963
286 10F-1 0.06749 -0.05353 0.07988 0.09914 0.13726
287 10F+2 0.12738 -0.05164 -0.03215 -0.00940 -0.05376
288 10F-2 0.09544 0.12738 -0.05569 0.00543 -0.01688
289 10F+3 0.00345 -0.00598 0.00000 0.00727 -0.15045
290 10F-3 -0.29929 -0.17280 0.03605 0.00000 0.00970
176 177 178 179 180
(EU)--V (A2U)--V (EG)--V (EG)--V (EG)--V
Eigenvalues -- 6.49585 6.52885 6.55272 6.55272 6.57937
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10 7PY 0.00000 0.00000 -1.08984 0.00000 0.00000
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12 8PX 3.51279 0.00000 0.00000 2.88530 0.25330
13 8PY 0.00000 0.00000 2.88530 0.00000 0.00000
14 8PZ 0.00000 2.79561 0.00000 0.00000 0.00000
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25 11D-1 0.00000 0.00000 -0.10103 0.00000 0.00000
26 11D+2 0.00000 0.00000 0.56695 0.00000 0.00000
27 11D-2 -0.60521 0.00000 0.00000 0.56695 1.73329
28 12D 0 0.00000 -0.14906 0.00000 0.00000 0.00000
29 12D+1 0.83104 0.00000 0.00000 0.03953 -0.85932
30 12D-1 0.00000 0.00000 0.03953 0.00000 0.00000
31 12D+2 0.00000 0.00000 -0.82027 0.00000 0.00000
32 12D-2 -0.52745 0.00000 0.00000 -0.82027 0.16384
33 13F 0 0.00000 -0.19939 0.00000 0.00000 0.00000
34 13F+1 0.09093 0.00000 0.00000 0.03441 0.02847
35 13F-1 0.00000 0.00000 0.03441 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.41698 0.00000 0.00000
37 13F-2 0.40508 0.00000 0.00000 0.41698 0.11807
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 -0.35130 0.00000 0.00000 0.00000
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42 14F-1 0.00000 0.00000 -0.87200 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.11305 0.00000 0.00000
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45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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50 15G+2 0.00000 0.00000 0.19321 0.00000 0.00000
51 15G-2 0.08667 0.00000 0.00000 0.19321 -0.47809
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 0.00000 -0.56081 0.00000 0.00000 0.00000
54 15G+4 0.00000 0.00000 0.50978 0.00000 0.00000
55 15G-4 -0.46082 0.00000 0.00000 -0.50978 0.23708
56 2 C 1S 0.00000 0.00601 0.00000 0.00000 0.00000
57 2S 0.00000 -0.04212 0.00000 0.00000 0.00000
58 3S 0.00000 1.60155 0.00000 0.00000 0.00000
59 4S 0.00000 -8.77568 0.00000 0.00000 0.00000
60 5S 0.00000 -2.83971 0.00000 0.00000 0.00000
61 6PX 0.06912 0.00000 0.00000 -0.20969 -0.19659
62 6PY 0.00000 0.00000 -0.20969 0.00000 0.00000
63 6PZ 0.00000 0.03434 0.00000 0.00000 0.00000
64 7PX -0.43475 0.00000 0.00000 1.08984 1.15561
65 7PY 0.00000 0.00000 1.08984 0.00000 0.00000
66 7PZ 0.00000 0.02693 0.00000 0.00000 0.00000
67 8PX 3.51279 0.00000 0.00000 -2.88530 -0.25330
68 8PY 0.00000 0.00000 -2.88530 0.00000 0.00000
69 8PZ 0.00000 2.79561 0.00000 0.00000 0.00000
70 9PX 0.26127 0.00000 0.00000 -0.30675 -0.49686
71 9PY 0.00000 0.00000 -0.30675 0.00000 0.00000
72 9PZ 0.00000 -0.21497 0.00000 0.00000 0.00000
73 10D 0 0.00000 -0.22457 0.00000 0.00000 0.00000
74 10D+1 0.02742 0.00000 0.00000 -0.03307 -0.04774
75 10D-1 0.00000 0.00000 -0.03307 0.00000 0.00000
76 10D+2 0.00000 0.00000 -0.13612 0.00000 0.00000
77 10D-2 -0.24491 0.00000 0.00000 -0.13612 -0.51138
78 11D 0 0.00000 0.37312 0.00000 0.00000 0.00000
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80 11D-1 0.00000 0.00000 -0.10103 0.00000 0.00000
81 11D+2 0.00000 0.00000 0.56695 0.00000 0.00000
82 11D-2 0.60521 0.00000 0.00000 0.56695 1.73329
83 12D 0 0.00000 0.14906 0.00000 0.00000 0.00000
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85 12D-1 0.00000 0.00000 0.03953 0.00000 0.00000
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87 12D-2 0.52745 0.00000 0.00000 -0.82027 0.16384
88 13F 0 0.00000 -0.19939 0.00000 0.00000 0.00000
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90 13F-1 0.00000 0.00000 -0.03441 0.00000 0.00000
91 13F+2 0.00000 0.00000 -0.41698 0.00000 0.00000
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107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
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110 15G-4 0.46082 0.00000 0.00000 -0.50978 0.23708
111 3 H 1S 0.00000 -0.08223 0.23779 0.00000 0.00000
112 2S 0.00000 -1.08131 -0.60929 0.00000 0.00000
113 3S 0.00000 -2.81600 -1.16490 0.00000 0.00000
114 4S 0.00000 -0.04768 -0.21558 0.00000 0.00000
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119 6PY 0.00000 1.02778 -0.46132 0.00000 0.00000
120 6PZ 0.00000 0.18703 0.35706 0.00000 0.00000
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122 7PY 0.00000 0.92153 0.05720 0.00000 0.00000
123 7PZ 0.00000 0.13445 0.59880 0.00000 0.00000
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126 8D-1 0.00000 -0.04664 0.02772 0.00000 0.00000
127 8D+2 0.00000 0.04019 0.05079 0.00000 0.00000
128 8D-2 -0.07013 0.00000 0.00000 -0.07606 0.02984
129 9D 0 0.00000 0.20954 -0.40992 0.00000 0.00000
130 9D+1 0.17408 0.00000 0.00000 0.24973 0.08735
131 9D-1 0.00000 -0.02456 -0.15190 0.00000 0.00000
132 9D+2 0.00000 0.21387 -0.45243 0.00000 0.00000
133 9D-2 0.20103 0.00000 0.00000 0.42817 0.28020
134 10F 0 0.00000 0.11641 0.15448 0.00000 0.00000
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136 10F-1 0.00000 -0.17040 -0.01746 0.00000 0.00000
137 10F+2 0.00000 -0.23123 0.07300 0.00000 0.00000
138 10F-2 -0.04401 0.00000 0.00000 -0.26415 -0.08027
139 10F+3 -0.17373 0.00000 0.00000 -0.11269 0.11901
140 10F-3 0.00000 -0.02372 0.16077 0.00000 0.00000
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142 2S 1.03190 -1.08131 0.30465 0.52766 -0.39185
143 3S 1.79305 -2.81600 0.58245 1.00883 -1.20713
144 4S 0.10274 -0.04768 0.10779 0.18670 0.23308
145 5PX 0.07690 0.17813 0.04142 0.09460 0.03841
146 5PY -0.01735 0.10284 0.04678 0.04142 0.09763
147 5PZ -0.00694 -0.06091 -0.02930 -0.05075 -0.03909
148 6PX 0.07582 -0.89008 0.01856 -0.47203 -0.38193
149 6PY 0.20080 -0.51389 -0.49347 0.01856 -0.19043
150 6PZ -0.32792 0.18703 -0.17853 -0.30922 0.84953
151 7PX 0.33329 -0.79806 0.07292 0.01509 -0.40209
152 7PY 0.34129 -0.46076 -0.06911 0.07292 -0.08111
153 7PZ -0.18844 0.13445 -0.29940 -0.51858 0.38933
154 8D 0 -0.05497 0.01133 -0.04278 -0.07410 0.04694
155 8D+1 -0.04611 0.04039 0.02725 0.01198 0.01878
156 8D-1 0.00231 0.02332 -0.01949 0.02725 0.01068
157 8D+2 0.08440 -0.02010 -0.04434 0.05492 -0.05329
158 8D-2 0.07606 -0.03481 0.05492 0.01908 -0.06245
159 9D 0 0.12134 0.20954 0.20496 0.35500 -0.17869
160 9D+1 -0.04511 0.02127 -0.17391 -0.05149 0.58189
161 9D-1 -0.12655 0.01228 0.14932 -0.17391 0.28552
162 9D+2 -0.18420 -0.10694 0.20802 -0.38131 -0.14952
163 9D-2 -0.11803 -0.18522 -0.38131 -0.23228 0.02122
164 10F 0 -0.07859 0.11641 -0.07724 -0.13378 -0.08572
165 10F+1 0.01066 0.14757 -0.06232 0.01852 -0.02808
166 10F-1 -0.10963 0.08520 0.09049 -0.06232 0.07289
167 10F+2 -0.01688 0.11561 -0.17986 0.14599 0.18118
168 10F-2 -0.07325 0.20025 0.14599 -0.01129 0.23354
169 10F+3 0.08686 0.00000 -0.09759 0.05635 -0.05950
170 10F-3 0.01680 -0.02372 -0.08039 -0.13923 -0.17062
171 5 H 1S 0.12337 -0.08223 -0.11890 0.20593 0.14455
172 2S -1.03190 -1.08131 0.30465 -0.52766 0.39185
173 3S -1.79305 -2.81600 0.58245 -1.00883 1.20713
174 4S -0.10274 -0.04768 0.10779 -0.18670 -0.23308
175 5PX 0.07690 -0.17813 -0.04142 0.09460 0.03841
176 5PY 0.01735 0.10284 0.04678 -0.04142 -0.09763
177 5PZ 0.00694 -0.06091 -0.02930 0.05075 0.03909
178 6PX 0.07582 0.89008 -0.01856 -0.47203 -0.38193
179 6PY -0.20080 -0.51389 -0.49347 -0.01856 0.19043
180 6PZ 0.32792 0.18703 -0.17853 0.30922 -0.84953
181 7PX 0.33329 0.79806 -0.07292 0.01509 -0.40209
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188 8D-2 0.07606 0.03481 -0.05492 0.01908 -0.06245
189 9D 0 -0.12134 0.20954 0.20496 -0.35500 0.17869
190 9D+1 -0.04511 -0.02127 0.17391 -0.05149 0.58189
191 9D-1 0.12655 0.01228 0.14932 0.17391 -0.28552
192 9D+2 0.18420 -0.10694 0.20802 0.38131 0.14952
193 9D-2 -0.11803 0.18522 0.38131 -0.23228 0.02122
194 10F 0 0.07859 0.11641 -0.07724 0.13378 0.08572
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199 10F+3 0.08686 0.00000 0.09759 0.05635 -0.05950
200 10F-3 -0.01680 -0.02372 -0.08039 0.13923 0.17062
201 6 H 1S 0.00000 0.08223 0.23779 0.00000 0.00000
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206 5PY 0.00000 -0.20569 -0.11851 0.00000 0.00000
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214 8D 0 0.00000 -0.01133 0.08556 0.00000 0.00000
215 8D+1 0.05011 0.00000 0.00000 -0.03522 0.00028
216 8D-1 0.00000 0.04664 0.02772 0.00000 0.00000
217 8D+2 0.00000 -0.04019 0.05079 0.00000 0.00000
218 8D-2 0.07013 0.00000 0.00000 -0.07606 0.02984
219 9D 0 0.00000 -0.20954 -0.40992 0.00000 0.00000
220 9D+1 -0.17408 0.00000 0.00000 0.24973 0.08735
221 9D-1 0.00000 0.02456 -0.15190 0.00000 0.00000
222 9D+2 0.00000 -0.21387 -0.45243 0.00000 0.00000
223 9D-2 -0.20103 0.00000 0.00000 0.42817 0.28020
224 10F 0 0.00000 0.11641 -0.15448 0.00000 0.00000
225 10F+1 0.20056 0.00000 0.00000 -0.12647 0.15433
226 10F-1 0.00000 -0.17040 0.01746 0.00000 0.00000
227 10F+2 0.00000 -0.23123 -0.07300 0.00000 0.00000
228 10F-2 -0.04401 0.00000 0.00000 0.26415 0.08027
229 10F+3 -0.17373 0.00000 0.00000 0.11269 -0.11901
230 10F-3 0.00000 -0.02372 -0.16077 0.00000 0.00000
231 7 H 1S -0.12337 0.08223 -0.11890 0.20593 0.14455
232 2S 1.03190 1.08131 0.30465 -0.52766 0.39185
233 3S 1.79305 2.81600 0.58245 -1.00883 1.20713
234 4S 0.10274 0.04768 0.10779 -0.18670 -0.23308
235 5PX 0.07690 -0.17813 0.04142 -0.09460 -0.03841
236 5PY 0.01735 0.10284 -0.04678 0.04142 0.09763
237 5PZ 0.00694 -0.06091 0.02930 -0.05075 -0.03909
238 6PX 0.07582 0.89008 0.01856 0.47203 0.38193
239 6PY -0.20080 -0.51389 0.49347 0.01856 -0.19043
240 6PZ 0.32792 0.18703 0.17853 -0.30922 0.84953
241 7PX 0.33329 0.79806 0.07292 -0.01509 0.40209
242 7PY -0.34129 -0.46076 0.06911 0.07292 -0.08111
243 7PZ 0.18844 0.13445 0.29940 -0.51858 0.38933
244 8D 0 -0.05497 -0.01133 -0.04278 0.07410 -0.04694
245 8D+1 0.04611 0.04039 -0.02725 0.01198 0.01878
246 8D-1 0.00231 -0.02332 -0.01949 -0.02725 -0.01068
247 8D+2 0.08440 0.02010 -0.04434 -0.05492 0.05329
248 8D-2 -0.07606 -0.03481 -0.05492 0.01908 -0.06245
249 9D 0 0.12134 -0.20954 0.20496 -0.35500 0.17869
250 9D+1 0.04511 0.02127 0.17391 -0.05149 0.58189
251 9D-1 -0.12655 -0.01228 0.14932 0.17391 -0.28552
252 9D+2 -0.18420 0.10694 0.20802 0.38131 0.14952
253 9D-2 0.11803 -0.18522 0.38131 -0.23228 0.02122
254 10F 0 0.07859 0.11641 0.07724 -0.13378 -0.08572
255 10F+1 0.01066 -0.14757 -0.06232 -0.01852 0.02808
256 10F-1 0.10963 0.08520 -0.09049 -0.06232 0.07289
257 10F+2 0.01688 0.11561 0.17986 0.14599 0.18118
258 10F-2 -0.07325 -0.20025 0.14599 0.01129 -0.23354
259 10F+3 0.08686 0.00000 -0.09759 -0.05635 0.05950
260 10F-3 -0.01680 -0.02372 0.08039 -0.13923 -0.17062
261 8 H 1S 0.12337 0.08223 -0.11890 -0.20593 -0.14455
262 2S -1.03190 1.08131 0.30465 0.52766 -0.39185
263 3S -1.79305 2.81600 0.58245 1.00883 -1.20713
264 4S -0.10274 0.04768 0.10779 0.18670 0.23308
265 5PX 0.07690 0.17813 -0.04142 -0.09460 -0.03841
266 5PY -0.01735 0.10284 -0.04678 -0.04142 -0.09763
267 5PZ -0.00694 -0.06091 0.02930 0.05075 0.03909
268 6PX 0.07582 -0.89008 -0.01856 0.47203 0.38193
269 6PY 0.20080 -0.51389 0.49347 -0.01856 0.19043
270 6PZ -0.32792 0.18703 0.17853 0.30922 -0.84953
271 7PX 0.33329 -0.79806 -0.07292 -0.01509 0.40209
272 7PY 0.34129 -0.46076 0.06911 -0.07292 0.08111
273 7PZ -0.18844 0.13445 0.29940 0.51858 -0.38933
274 8D 0 0.05497 -0.01133 -0.04278 -0.07410 0.04694
275 8D+1 0.04611 -0.04039 0.02725 0.01198 0.01878
276 8D-1 -0.00231 -0.02332 -0.01949 0.02725 0.01068
277 8D+2 -0.08440 0.02010 -0.04434 0.05492 -0.05329
278 8D-2 -0.07606 0.03481 0.05492 0.01908 -0.06245
279 9D 0 -0.12134 -0.20954 0.20496 0.35500 -0.17869
280 9D+1 0.04511 -0.02127 -0.17391 -0.05149 0.58189
281 9D-1 0.12655 -0.01228 0.14932 -0.17391 0.28552
282 9D+2 0.18420 0.10694 0.20802 -0.38131 -0.14952
283 9D-2 0.11803 0.18522 -0.38131 -0.23228 0.02122
284 10F 0 -0.07859 0.11641 0.07724 0.13378 0.08572
285 10F+1 0.01066 0.14757 0.06232 -0.01852 0.02808
286 10F-1 -0.10963 0.08520 -0.09049 0.06232 -0.07289
287 10F+2 -0.01688 0.11561 0.17986 -0.14599 -0.18118
288 10F-2 -0.07325 0.20025 -0.14599 0.01129 -0.23354
289 10F+3 0.08686 0.00000 0.09759 -0.05635 0.05950
290 10F-3 0.01680 -0.02372 0.08039 0.13923 0.17062
181 182 183 184 185
(EG)--V (A1G)--V (A2G)--V (A1G)--V (A1G)--V
Eigenvalues -- 6.57937 6.58317 6.60904 6.67607 6.69512
1 1 C 1S 0.00000 0.03442 0.00000 -0.02120 0.00554
2 2S 0.00000 -0.09933 0.00000 0.13051 -0.09774
3 3S 0.00000 -1.91406 0.00000 1.36819 -0.94196
4 4S 0.00000 1.96068 0.00000 -0.37339 0.61261
5 5S 0.00000 0.27378 0.00000 0.47097 -1.39978
6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
7 6PY 0.19659 0.00000 0.00000 0.00000 0.00000
8 6PZ 0.00000 -0.27580 0.00000 -0.25886 0.07030
9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
10 7PY -1.15561 0.00000 0.00000 0.00000 0.00000
11 7PZ 0.00000 0.71253 0.00000 0.48917 -0.86796
12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
13 8PY 0.25330 0.00000 0.00000 0.00000 0.00000
14 8PZ 0.00000 -0.13614 0.00000 0.43092 2.03292
15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
16 9PY 0.49686 0.00000 0.00000 0.00000 0.00000
17 9PZ 0.00000 -0.34554 0.00000 0.02858 0.45818
18 10D 0 0.00000 0.34433 0.00000 -0.18182 -0.42926
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
20 10D-1 -0.04774 0.00000 0.00000 0.00000 0.00000
21 10D+2 -0.51138 0.00000 0.00000 0.00000 0.00000
22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
23 11D 0 0.00000 -1.06225 0.00000 0.68195 1.20072
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
25 11D-1 -0.28600 0.00000 0.00000 0.00000 0.00000
26 11D+2 1.73329 0.00000 0.00000 0.00000 0.00000
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
28 12D 0 0.00000 0.24706 0.00000 0.30049 -0.45427
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
30 12D-1 -0.85932 0.00000 0.00000 0.00000 0.00000
31 12D+2 0.16384 0.00000 0.00000 0.00000 0.00000
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
33 13F 0 0.00000 0.35930 0.00000 -0.21546 -0.13319
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
35 13F-1 0.02847 0.00000 0.00000 0.00000 0.00000
36 13F+2 0.11807 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.12924 0.00000 0.00000
39 13F-3 0.00000 0.20492 0.00000 -0.39755 0.43023
40 14F 0 0.00000 -1.15583 0.00000 0.26040 0.10671
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 1.49490 0.00000 0.00000 0.00000 0.00000
43 14F+2 -0.04393 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 1.97153 0.00000 0.00000
46 14F-3 0.00000 -1.35259 0.00000 1.04822 -0.33085
47 15G 0 0.00000 0.14550 0.00000 -0.51239 -0.55491
48 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
49 15G-1 -0.08640 0.00000 0.00000 0.00000 0.00000
50 15G+2 -0.47809 0.00000 0.00000 0.00000 0.00000
51 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.79204 0.00000 0.00000
53 15G-3 0.00000 -0.43951 0.00000 0.33106 -0.41617
54 15G+4 -0.23708 0.00000 0.00000 0.00000 0.00000
55 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 C 1S 0.00000 0.03442 0.00000 -0.02120 0.00554
57 2S 0.00000 -0.09933 0.00000 0.13051 -0.09774
58 3S 0.00000 -1.91406 0.00000 1.36819 -0.94196
59 4S 0.00000 1.96068 0.00000 -0.37339 0.61261
60 5S 0.00000 0.27378 0.00000 0.47097 -1.39978
61 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
62 6PY -0.19659 0.00000 0.00000 0.00000 0.00000
63 6PZ 0.00000 0.27580 0.00000 0.25886 -0.07030
64 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
65 7PY 1.15561 0.00000 0.00000 0.00000 0.00000
66 7PZ 0.00000 -0.71253 0.00000 -0.48917 0.86796
67 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
68 8PY -0.25330 0.00000 0.00000 0.00000 0.00000
69 8PZ 0.00000 0.13614 0.00000 -0.43092 -2.03292
70 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
71 9PY -0.49686 0.00000 0.00000 0.00000 0.00000
72 9PZ 0.00000 0.34554 0.00000 -0.02858 -0.45818
73 10D 0 0.00000 0.34433 0.00000 -0.18182 -0.42926
74 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
75 10D-1 -0.04774 0.00000 0.00000 0.00000 0.00000
76 10D+2 -0.51138 0.00000 0.00000 0.00000 0.00000
77 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
78 11D 0 0.00000 -1.06225 0.00000 0.68195 1.20072
79 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
80 11D-1 -0.28600 0.00000 0.00000 0.00000 0.00000
81 11D+2 1.73329 0.00000 0.00000 0.00000 0.00000
82 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
83 12D 0 0.00000 0.24706 0.00000 0.30049 -0.45427
84 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
85 12D-1 -0.85932 0.00000 0.00000 0.00000 0.00000
86 12D+2 0.16384 0.00000 0.00000 0.00000 0.00000
87 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
88 13F 0 0.00000 -0.35930 0.00000 0.21546 0.13319
89 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
90 13F-1 -0.02847 0.00000 0.00000 0.00000 0.00000
91 13F+2 -0.11807 0.00000 0.00000 0.00000 0.00000
92 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
93 13F+3 0.00000 0.00000 -0.12924 0.00000 0.00000
94 13F-3 0.00000 -0.20492 0.00000 0.39755 -0.43023
95 14F 0 0.00000 1.15583 0.00000 -0.26040 -0.10671
96 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
97 14F-1 -1.49490 0.00000 0.00000 0.00000 0.00000
98 14F+2 0.04393 0.00000 0.00000 0.00000 0.00000
99 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
100 14F+3 0.00000 0.00000 -1.97153 0.00000 0.00000
101 14F-3 0.00000 1.35259 0.00000 -1.04822 0.33085
102 15G 0 0.00000 0.14550 0.00000 -0.51239 -0.55491
103 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
104 15G-1 -0.08640 0.00000 0.00000 0.00000 0.00000
105 15G+2 -0.47809 0.00000 0.00000 0.00000 0.00000
106 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.79204 0.00000 0.00000
108 15G-3 0.00000 -0.43951 0.00000 0.33106 -0.41617
109 15G+4 -0.23708 0.00000 0.00000 0.00000 0.00000
110 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
111 3 H 1S 0.16692 -0.03696 0.00000 -0.12346 0.09007
112 2S 0.45247 -1.26836 0.00000 0.87866 -0.57750
113 3S 1.39387 0.00600 0.00000 -0.67557 0.78809
114 4S -0.26914 0.02543 0.00000 -0.02666 0.13430
115 5PX 0.00000 0.00000 -0.03184 0.00000 0.00000
116 5PY 0.09478 -0.02240 0.00000 -0.13413 0.00066
117 5PZ 0.04513 0.04974 0.00000 -0.03586 0.03710
118 6PX 0.00000 0.00000 0.94846 0.00000 0.00000
119 6PY -0.49187 0.37253 0.00000 0.19530 0.05404
120 6PZ -0.98096 0.25252 0.00000 -0.28411 -0.38212
121 7PX 0.00000 0.00000 0.54060 0.00000 0.00000
122 7PY -0.44891 -0.28286 0.00000 0.38231 -0.22158
123 7PZ -0.44956 0.09731 0.00000 -0.02391 -0.71554
124 8D 0 -0.05420 0.01857 0.00000 -0.07048 -0.01629
125 8D+1 0.00000 0.00000 -0.02446 0.00000 0.00000
126 8D-1 0.02494 -0.07902 0.00000 0.00921 -0.06091
127 8D+2 -0.09322 0.06438 0.00000 -0.07792 0.00406
128 8D-2 0.00000 0.00000 0.13466 0.00000 0.00000
129 9D 0 0.20634 -0.16265 0.00000 0.29254 0.19656
130 9D+1 0.00000 0.00000 -0.37061 0.00000 0.00000
131 9D-1 0.74674 -0.03874 0.00000 0.03406 0.60310
132 9D+2 -0.06510 -0.14887 0.00000 0.25173 0.01279
133 9D-2 0.00000 0.00000 -0.70746 0.00000 0.00000
134 10F 0 0.09898 0.08629 0.00000 0.15438 0.14173
135 10F+1 0.00000 0.00000 0.09321 0.00000 0.00000
136 10F-1 0.01400 -0.00360 0.00000 -0.14231 0.10620
137 10F+2 0.33814 -0.27046 0.00000 -0.14052 0.11115
138 10F-2 0.00000 0.00000 0.16495 0.00000 0.00000
139 10F+3 0.00000 0.00000 0.03354 0.00000 0.00000
140 10F-3 0.19702 0.06134 0.00000 0.01717 -0.00957
141 4 H 1S -0.08346 -0.03696 0.00000 -0.12346 0.09007
142 2S -0.22623 -1.26836 0.00000 0.87866 -0.57750
143 3S -0.69693 0.00600 0.00000 -0.67557 0.78809
144 4S 0.13457 0.02543 0.00000 -0.02666 0.13430
145 5PX 0.09763 0.01940 0.01592 0.11616 -0.00058
146 5PY -0.07433 0.01120 -0.02757 0.06707 -0.00033
147 5PZ -0.02257 0.04974 0.00000 -0.03586 0.03710
148 6PX -0.19043 -0.32262 -0.47423 -0.16913 -0.04680
149 6PY -0.16204 -0.18626 0.82139 -0.09765 -0.02702
150 6PZ 0.49048 0.25252 0.00000 -0.28411 -0.38212
151 7PX -0.08111 0.24497 -0.27030 -0.33109 0.19189
152 7PY -0.30843 0.14143 0.46817 -0.19116 0.11079
153 7PZ 0.22478 0.09731 0.00000 -0.02391 -0.71554
154 8D 0 0.02710 0.01857 0.00000 -0.07048 -0.01629
155 8D+1 0.01068 0.06843 0.01223 -0.00797 0.05275
156 8D-1 0.00644 0.03951 -0.02118 -0.00460 0.03045
157 8D+2 -0.00092 -0.03219 0.11662 0.03896 -0.00203
158 8D-2 -0.05329 -0.05576 -0.06733 0.06748 -0.00351
159 9D 0 -0.10317 -0.16265 0.00000 0.29254 0.19656
160 9D+1 0.28552 0.03355 0.18531 -0.02950 -0.52230
161 9D-1 0.25220 0.01937 -0.32096 -0.01703 -0.30155
162 9D+2 0.19388 0.07443 -0.61268 -0.12587 -0.00640
163 9D-2 -0.14952 0.12892 0.35373 -0.21801 -0.01108
164 10F 0 -0.04949 0.08629 0.00000 0.15438 0.14173
165 10F+1 0.07289 0.00311 -0.04661 0.12324 -0.09197
166 10F-1 -0.11224 0.00180 0.08072 0.07115 -0.05310
167 10F+2 0.02434 0.13523 0.14285 0.07026 -0.05557
168 10F-2 0.18118 0.23423 -0.08247 0.12170 -0.09626
169 10F+3 0.10306 0.00000 0.03354 0.00000 0.00000
170 10F-3 -0.09851 0.06134 0.00000 0.01717 -0.00957
171 5 H 1S -0.08346 -0.03696 0.00000 -0.12346 0.09007
172 2S -0.22623 -1.26836 0.00000 0.87866 -0.57750
173 3S -0.69693 0.00600 0.00000 -0.67557 0.78809
174 4S 0.13457 0.02543 0.00000 -0.02666 0.13430
175 5PX -0.09763 -0.01940 0.01592 -0.11616 0.00058
176 5PY -0.07433 0.01120 0.02757 0.06707 -0.00033
177 5PZ -0.02257 0.04974 0.00000 -0.03586 0.03710
178 6PX 0.19043 0.32262 -0.47423 0.16913 0.04680
179 6PY -0.16204 -0.18626 -0.82139 -0.09765 -0.02702
180 6PZ 0.49048 0.25252 0.00000 -0.28411 -0.38212
181 7PX 0.08111 -0.24497 -0.27030 0.33109 -0.19189
182 7PY -0.30843 0.14143 -0.46817 -0.19116 0.11079
183 7PZ 0.22478 0.09731 0.00000 -0.02391 -0.71554
184 8D 0 0.02710 0.01857 0.00000 -0.07048 -0.01629
185 8D+1 -0.01068 -0.06843 0.01223 0.00797 -0.05275
186 8D-1 0.00644 0.03951 0.02118 -0.00460 0.03045
187 8D+2 -0.00092 -0.03219 -0.11662 0.03896 -0.00203
188 8D-2 0.05329 0.05576 -0.06733 -0.06748 0.00351
189 9D 0 -0.10317 -0.16265 0.00000 0.29254 0.19656
190 9D+1 -0.28552 -0.03355 0.18531 0.02950 0.52230
191 9D-1 0.25220 0.01937 0.32096 -0.01703 -0.30155
192 9D+2 0.19388 0.07443 0.61268 -0.12587 -0.00640
193 9D-2 0.14952 -0.12892 0.35373 0.21801 0.01108
194 10F 0 -0.04949 0.08629 0.00000 0.15438 0.14173
195 10F+1 -0.07289 -0.00311 -0.04661 -0.12324 0.09197
196 10F-1 -0.11224 0.00180 -0.08072 0.07115 -0.05310
197 10F+2 0.02434 0.13523 -0.14285 0.07026 -0.05557
198 10F-2 -0.18118 -0.23423 -0.08247 -0.12170 0.09626
199 10F+3 -0.10306 0.00000 0.03354 0.00000 0.00000
200 10F-3 -0.09851 0.06134 0.00000 0.01717 -0.00957
201 6 H 1S 0.16692 -0.03696 0.00000 -0.12346 0.09007
202 2S 0.45247 -1.26836 0.00000 0.87866 -0.57750
203 3S 1.39387 0.00600 0.00000 -0.67557 0.78809
204 4S -0.26914 0.02543 0.00000 -0.02666 0.13430
205 5PX 0.00000 0.00000 0.03184 0.00000 0.00000
206 5PY -0.09478 0.02240 0.00000 0.13413 -0.00066
207 5PZ -0.04513 -0.04974 0.00000 0.03586 -0.03710
208 6PX 0.00000 0.00000 -0.94846 0.00000 0.00000
209 6PY 0.49187 -0.37253 0.00000 -0.19530 -0.05404
210 6PZ 0.98096 -0.25252 0.00000 0.28411 0.38212
211 7PX 0.00000 0.00000 -0.54060 0.00000 0.00000
212 7PY 0.44891 0.28286 0.00000 -0.38231 0.22158
213 7PZ 0.44956 -0.09731 0.00000 0.02391 0.71554
214 8D 0 -0.05420 0.01857 0.00000 -0.07048 -0.01629
215 8D+1 0.00000 0.00000 -0.02446 0.00000 0.00000
216 8D-1 0.02494 -0.07902 0.00000 0.00921 -0.06091
217 8D+2 -0.09322 0.06438 0.00000 -0.07792 0.00406
218 8D-2 0.00000 0.00000 0.13466 0.00000 0.00000
219 9D 0 0.20634 -0.16265 0.00000 0.29254 0.19656
220 9D+1 0.00000 0.00000 -0.37061 0.00000 0.00000
221 9D-1 0.74674 -0.03874 0.00000 0.03406 0.60310
222 9D+2 -0.06510 -0.14887 0.00000 0.25173 0.01279
223 9D-2 0.00000 0.00000 -0.70746 0.00000 0.00000
224 10F 0 -0.09898 -0.08629 0.00000 -0.15438 -0.14173
225 10F+1 0.00000 0.00000 -0.09321 0.00000 0.00000
226 10F-1 -0.01400 0.00360 0.00000 0.14231 -0.10620
227 10F+2 -0.33814 0.27046 0.00000 0.14052 -0.11115
228 10F-2 0.00000 0.00000 -0.16495 0.00000 0.00000
229 10F+3 0.00000 0.00000 -0.03354 0.00000 0.00000
230 10F-3 -0.19702 -0.06134 0.00000 -0.01717 0.00957
231 7 H 1S -0.08346 -0.03696 0.00000 -0.12346 0.09007
232 2S -0.22623 -1.26836 0.00000 0.87866 -0.57750
233 3S -0.69693 0.00600 0.00000 -0.67557 0.78809
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186 187 188 189 190
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275 8D+1 0.02643 -0.02375 0.04743 -0.01846 0.02458
276 8D-1 -0.05427 0.02643 -0.01846 0.06875 -0.04258
277 8D+2 0.04892 -0.01982 0.01232 0.01146 0.02371
278 8D-2 -0.01982 0.02603 0.02568 0.01232 -0.01369
279 9D 0 -0.07326 -0.12689 0.44956 0.25955 0.00000
280 9D+1 0.21736 0.17500 -0.52935 -0.22715 0.00667
281 9D-1 -0.07598 0.21736 -0.22715 -0.26706 -0.01156
282 9D+2 -0.18185 0.20327 0.12820 -0.47056 0.23998
283 9D-2 0.20327 0.05287 -0.32253 0.12820 -0.13856
284 10F 0 0.08818 0.15273 -0.05461 -0.03153 0.00000
285 10F+1 0.06418 -0.00226 -0.14704 -0.16467 0.15886
286 10F-1 -0.07636 0.06418 -0.16467 0.04310 -0.27515
287 10F+2 -0.06443 0.03769 0.04317 -0.01404 -0.21111
288 10F-2 0.03769 -0.02091 0.03582 0.04317 0.12189
289 10F+3 -0.01926 0.01112 -0.07762 0.13444 -0.23323
290 10F-3 -0.07020 -0.12159 -0.03407 -0.01967 0.00000
196 197 198 199 200
(A1G)--V (EU)--V (EU)--V (EG)--V (EG)--V
Eigenvalues -- 7.10347 7.26625 7.26625 7.30505 7.30505
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2 2S 0.06468 0.00000 0.00000 0.00000 0.00000
3 3S -1.36895 0.00000 0.00000 0.00000 0.00000
4 4S 10.37019 0.00000 0.00000 0.00000 0.00000
5 5S 3.52595 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 -0.42159 0.00000 -0.60299 0.00000
7 6PY 0.00000 0.00000 0.42159 0.00000 0.60299
8 6PZ -0.27560 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 1.43009 0.00000 1.26687 0.00000
10 7PY 0.00000 0.00000 -1.43009 0.00000 -1.26687
11 7PZ 0.77382 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 1.75783 0.00000 2.23664 0.00000
13 8PY 0.00000 0.00000 -1.75783 0.00000 -2.23664
14 8PZ 2.89934 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 0.61705 0.00000 0.32216 0.00000
16 9PY 0.00000 0.00000 -0.61705 0.00000 -0.32216
17 9PZ 0.24777 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.24901 0.00000 0.00000 0.00000 0.00000
19 10D+1 0.00000 0.17725 0.00000 -0.23529 0.00000
20 10D-1 0.00000 0.00000 -0.17725 0.00000 0.23529
21 10D+2 0.00000 0.00000 0.09737 0.00000 0.29465
22 10D-2 0.00000 -0.09737 0.00000 -0.29465 0.00000
23 11D 0 -0.95643 0.00000 0.00000 0.00000 0.00000
24 11D+1 0.00000 0.36432 0.00000 0.56808 0.00000
25 11D-1 0.00000 0.00000 -0.36432 0.00000 -0.56808
26 11D+2 0.00000 0.00000 0.07233 0.00000 -0.15226
27 11D-2 0.00000 -0.07233 0.00000 0.15226 0.00000
28 12D 0 -0.39455 0.00000 0.00000 0.00000 0.00000
29 12D+1 0.00000 -0.44131 0.00000 1.27614 0.00000
30 12D-1 0.00000 0.00000 0.44131 0.00000 -1.27614
31 12D+2 0.00000 0.00000 -0.72840 0.00000 -0.24116
32 12D-2 0.00000 0.72840 0.00000 0.24116 0.00000
33 13F 0 -0.27618 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 -0.29548 0.00000 0.16124 0.00000
35 13F-1 0.00000 0.00000 0.29548 0.00000 -0.16124
36 13F+2 0.00000 0.00000 0.49463 0.00000 0.22182
37 13F-2 0.00000 -0.49463 0.00000 -0.22182 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 -0.45144 0.00000 0.00000 0.00000 0.00000
40 14F 0 -0.46670 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 -0.00520 0.00000 -0.06948 0.00000
42 14F-1 0.00000 0.00000 0.00520 0.00000 0.06948
43 14F+2 0.00000 0.00000 -1.67932 0.00000 -0.47413
44 14F-2 0.00000 1.67932 0.00000 0.47413 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 -0.27239 0.00000 0.00000 0.00000 0.00000
47 15G 0 -0.00223 0.00000 0.00000 0.00000 0.00000
48 15G+1 0.00000 -0.12806 0.00000 -0.07508 0.00000
49 15G-1 0.00000 0.00000 0.12806 0.00000 0.07508
50 15G+2 0.00000 0.00000 -0.11250 0.00000 -0.04845
51 15G-2 0.00000 0.11250 0.00000 0.04845 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 -0.62309 0.00000 0.00000 0.00000 0.00000
54 15G+4 0.00000 0.00000 -0.36550 0.00000 -0.39302
55 15G-4 0.00000 -0.36550 0.00000 -0.39302 0.00000
56 2 C 1S -0.01624 0.00000 0.00000 0.00000 0.00000
57 2S 0.06468 0.00000 0.00000 0.00000 0.00000
58 3S -1.36895 0.00000 0.00000 0.00000 0.00000
59 4S 10.37019 0.00000 0.00000 0.00000 0.00000
60 5S 3.52595 0.00000 0.00000 0.00000 0.00000
61 6PX 0.00000 -0.42159 0.00000 0.60299 0.00000
62 6PY 0.00000 0.00000 0.42159 0.00000 -0.60299
63 6PZ 0.27560 0.00000 0.00000 0.00000 0.00000
64 7PX 0.00000 1.43009 0.00000 -1.26687 0.00000
65 7PY 0.00000 0.00000 -1.43009 0.00000 1.26687
66 7PZ -0.77382 0.00000 0.00000 0.00000 0.00000
67 8PX 0.00000 1.75783 0.00000 -2.23664 0.00000
68 8PY 0.00000 0.00000 -1.75783 0.00000 2.23664
69 8PZ -2.89934 0.00000 0.00000 0.00000 0.00000
70 9PX 0.00000 0.61705 0.00000 -0.32216 0.00000
71 9PY 0.00000 0.00000 -0.61705 0.00000 0.32216
72 9PZ -0.24777 0.00000 0.00000 0.00000 0.00000
73 10D 0 0.24901 0.00000 0.00000 0.00000 0.00000
74 10D+1 0.00000 -0.17725 0.00000 -0.23529 0.00000
75 10D-1 0.00000 0.00000 0.17725 0.00000 0.23529
76 10D+2 0.00000 0.00000 -0.09737 0.00000 0.29465
77 10D-2 0.00000 0.09737 0.00000 -0.29465 0.00000
78 11D 0 -0.95643 0.00000 0.00000 0.00000 0.00000
79 11D+1 0.00000 -0.36432 0.00000 0.56808 0.00000
80 11D-1 0.00000 0.00000 0.36432 0.00000 -0.56808
81 11D+2 0.00000 0.00000 -0.07233 0.00000 -0.15226
82 11D-2 0.00000 0.07233 0.00000 0.15226 0.00000
83 12D 0 -0.39455 0.00000 0.00000 0.00000 0.00000
84 12D+1 0.00000 0.44131 0.00000 1.27614 0.00000
85 12D-1 0.00000 0.00000 -0.44131 0.00000 -1.27614
86 12D+2 0.00000 0.00000 0.72840 0.00000 -0.24116
87 12D-2 0.00000 -0.72840 0.00000 0.24116 0.00000
88 13F 0 0.27618 0.00000 0.00000 0.00000 0.00000
89 13F+1 0.00000 -0.29548 0.00000 -0.16124 0.00000
90 13F-1 0.00000 0.00000 0.29548 0.00000 0.16124
91 13F+2 0.00000 0.00000 0.49463 0.00000 -0.22182
92 13F-2 0.00000 -0.49463 0.00000 0.22182 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
94 13F-3 0.45144 0.00000 0.00000 0.00000 0.00000
95 14F 0 0.46670 0.00000 0.00000 0.00000 0.00000
96 14F+1 0.00000 -0.00520 0.00000 0.06948 0.00000
97 14F-1 0.00000 0.00000 0.00520 0.00000 -0.06948
98 14F+2 0.00000 0.00000 -1.67932 0.00000 0.47413
99 14F-2 0.00000 1.67932 0.00000 -0.47413 0.00000
100 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
101 14F-3 0.27239 0.00000 0.00000 0.00000 0.00000
102 15G 0 -0.00223 0.00000 0.00000 0.00000 0.00000
103 15G+1 0.00000 0.12806 0.00000 -0.07508 0.00000
104 15G-1 0.00000 0.00000 -0.12806 0.00000 0.07508
105 15G+2 0.00000 0.00000 0.11250 0.00000 -0.04845
106 15G-2 0.00000 -0.11250 0.00000 0.04845 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
108 15G-3 -0.62309 0.00000 0.00000 0.00000 0.00000
109 15G+4 0.00000 0.00000 0.36550 0.00000 -0.39302
110 15G-4 0.00000 0.36550 0.00000 -0.39302 0.00000
111 3 H 1S -0.11692 0.00000 0.23452 0.00000 0.20614
112 2S -0.56863 0.00000 -0.91002 0.00000 -0.27484
113 3S -4.20858 0.00000 2.40426 0.00000 3.17863
114 4S -0.32027 0.00000 0.35936 0.00000 0.01644
115 5PX 0.00000 -0.11598 0.00000 0.01950 0.00000
116 5PY -0.29483 0.00000 0.27087 0.00000 0.26344
117 5PZ -0.11125 0.00000 0.12806 0.00000 0.12110
118 6PX 0.00000 -0.44721 0.00000 -0.41253 0.00000
119 6PY 1.14543 0.00000 -0.60807 0.00000 -0.67843
120 6PZ 0.32066 0.00000 -0.60959 0.00000 -0.34325
121 7PX 0.00000 -0.77517 0.00000 -0.66887 0.00000
122 7PY 1.43360 0.00000 -1.01459 0.00000 -1.30105
123 7PZ 0.62198 0.00000 -0.99103 0.00000 -0.16051
124 8D 0 -0.01531 0.00000 0.00327 0.00000 0.02420
125 8D+1 0.00000 -0.00012 0.00000 -0.07936 0.00000
126 8D-1 -0.05992 0.00000 -0.11280 0.00000 -0.00366
127 8D+2 0.00170 0.00000 0.07903 0.00000 0.07624
128 8D-2 0.00000 -0.08862 0.00000 -0.05930 0.00000
129 9D 0 0.20751 0.00000 0.05982 0.00000 -0.12834
130 9D+1 0.00000 0.02318 0.00000 0.10448 0.00000
131 9D-1 -0.26128 0.00000 0.65541 0.00000 0.23843
132 9D+2 0.35125 0.00000 -0.44927 0.00000 -0.40547
133 9D-2 0.00000 0.59770 0.00000 0.45870 0.00000
134 10F 0 -0.21402 0.00000 -0.16246 0.00000 -0.27099
135 10F+1 0.00000 0.17094 0.00000 -0.01360 0.00000
136 10F-1 0.01994 0.00000 0.10731 0.00000 -0.10933
137 10F+2 0.04537 0.00000 0.21316 0.00000 0.06773
138 10F-2 0.00000 0.05573 0.00000 0.05289 0.00000
139 10F+3 0.00000 0.14172 0.00000 -0.00026 0.00000
140 10F-3 -0.03565 0.00000 0.03141 0.00000 0.03332
141 4 H 1S -0.11692 0.20310 -0.11726 0.17852 -0.10307
142 2S -0.56863 -0.78810 0.45501 -0.23802 0.13742
143 3S -4.20858 2.08215 -1.20213 2.75277 -1.58932
144 4S -0.32027 0.31121 -0.17968 0.01423 -0.00822
145 5PX 0.25533 -0.23215 0.06707 -0.19270 0.12252
146 5PY 0.14742 -0.06707 0.15470 -0.12252 0.05123
147 5PZ -0.11125 0.11090 -0.06403 0.10487 -0.06055
148 6PX -0.99197 0.34425 -0.45695 0.40569 -0.47240
149 6PY -0.57271 0.45695 0.18339 0.47240 0.13979
150 6PZ 0.32066 -0.52792 0.30480 -0.29726 0.17163
151 7PX -1.24154 0.56715 -0.77499 0.80857 -0.85300
152 7PY -0.71680 0.77499 0.32773 0.85300 0.17639
153 7PZ 0.62198 -0.85825 0.49551 -0.13901 0.08026
154 8D 0 -0.01531 0.00284 -0.00164 0.02096 -0.01210
155 8D+1 0.05189 0.08457 -0.04890 -0.01710 -0.03595
156 8D-1 0.02996 0.04890 -0.02811 0.03595 0.05860
157 8D+2 -0.00085 0.00415 0.08622 -0.00733 0.06354
158 8D-2 -0.00147 -0.08143 -0.00415 -0.07201 0.00733
159 9D 0 0.20751 0.05180 -0.02991 -0.11115 0.06417
160 9D+1 0.22627 -0.48576 0.29384 -0.15270 0.14848
161 9D-1 0.13064 -0.29384 0.14646 -0.14848 -0.01875
162 9D+2 -0.17562 -0.06427 -0.56059 -0.02305 -0.44539
163 9D-2 -0.30419 0.48638 0.06427 0.41878 0.02305
164 10F 0 -0.21402 -0.14070 0.08123 -0.23468 0.13550
165 10F+1 -0.01727 -0.03775 0.12049 0.07860 -0.05323
166 10F-1 -0.00997 -0.12049 -0.10138 0.05323 -0.01713
167 10F+2 -0.02269 -0.11643 0.01149 -0.05223 -0.02273
168 10F-2 -0.03929 -0.14593 0.11643 -0.03758 0.05223
169 10F+3 0.00000 -0.07086 -0.12273 0.00013 0.00023
170 10F-3 -0.03565 0.02720 -0.01571 0.02886 -0.01666
171 5 H 1S -0.11692 -0.20310 -0.11726 -0.17852 -0.10307
172 2S -0.56863 0.78810 0.45501 0.23802 0.13742
173 3S -4.20858 -2.08215 -1.20213 -2.75277 -1.58932
174 4S -0.32027 -0.31121 -0.17968 -0.01423 -0.00822
175 5PX -0.25533 -0.23215 -0.06707 -0.19270 -0.12252
176 5PY 0.14742 0.06707 0.15470 0.12252 0.05123
177 5PZ -0.11125 -0.11090 -0.06403 -0.10487 -0.06055
178 6PX 0.99197 0.34425 0.45695 0.40569 0.47240
179 6PY -0.57271 -0.45695 0.18339 -0.47240 0.13979
180 6PZ 0.32066 0.52792 0.30480 0.29726 0.17163
181 7PX 1.24154 0.56715 0.77499 0.80857 0.85300
182 7PY -0.71680 -0.77499 0.32773 -0.85300 0.17639
183 7PZ 0.62198 0.85825 0.49551 0.13901 0.08026
184 8D 0 -0.01531 -0.00284 -0.00164 -0.02096 -0.01210
185 8D+1 -0.05189 0.08457 0.04890 -0.01710 0.03595
186 8D-1 0.02996 -0.04890 -0.02811 -0.03595 0.05860
187 8D+2 -0.00085 -0.00415 0.08622 0.00733 0.06354
188 8D-2 0.00147 -0.08143 0.00415 -0.07201 -0.00733
189 9D 0 0.20751 -0.05180 -0.02991 0.11115 0.06417
190 9D+1 -0.22627 -0.48576 -0.29384 -0.15270 -0.14848
191 9D-1 0.13064 0.29384 0.14646 0.14848 -0.01875
192 9D+2 -0.17562 0.06427 -0.56059 0.02305 -0.44539
193 9D-2 0.30419 0.48638 -0.06427 0.41878 -0.02305
194 10F 0 -0.21402 0.14070 0.08123 0.23468 0.13550
195 10F+1 0.01727 -0.03775 -0.12049 0.07860 0.05323
196 10F-1 -0.00997 0.12049 -0.10138 -0.05323 -0.01713
197 10F+2 -0.02269 0.11643 0.01149 0.05223 -0.02273
198 10F-2 0.03929 -0.14593 -0.11643 -0.03758 -0.05223
199 10F+3 0.00000 -0.07086 0.12273 0.00013 -0.00023
200 10F-3 -0.03565 -0.02720 -0.01571 -0.02886 -0.01666
201 6 H 1S -0.11692 0.00000 -0.23452 0.00000 0.20614
202 2S -0.56863 0.00000 0.91002 0.00000 -0.27484
203 3S -4.20858 0.00000 -2.40426 0.00000 3.17863
204 4S -0.32027 0.00000 -0.35936 0.00000 0.01644
205 5PX 0.00000 -0.11598 0.00000 -0.01950 0.00000
206 5PY 0.29483 0.00000 0.27087 0.00000 -0.26344
207 5PZ 0.11125 0.00000 0.12806 0.00000 -0.12110
208 6PX 0.00000 -0.44721 0.00000 0.41253 0.00000
209 6PY -1.14543 0.00000 -0.60807 0.00000 0.67843
210 6PZ -0.32066 0.00000 -0.60959 0.00000 0.34325
211 7PX 0.00000 -0.77517 0.00000 0.66887 0.00000
212 7PY -1.43360 0.00000 -1.01459 0.00000 1.30105
213 7PZ -0.62198 0.00000 -0.99103 0.00000 0.16051
214 8D 0 -0.01531 0.00000 -0.00327 0.00000 0.02420
215 8D+1 0.00000 0.00012 0.00000 -0.07936 0.00000
216 8D-1 -0.05992 0.00000 0.11280 0.00000 -0.00366
217 8D+2 0.00170 0.00000 -0.07903 0.00000 0.07624
218 8D-2 0.00000 0.08862 0.00000 -0.05930 0.00000
219 9D 0 0.20751 0.00000 -0.05982 0.00000 -0.12834
220 9D+1 0.00000 -0.02318 0.00000 0.10448 0.00000
221 9D-1 -0.26128 0.00000 -0.65541 0.00000 0.23843
222 9D+2 0.35125 0.00000 0.44927 0.00000 -0.40547
223 9D-2 0.00000 -0.59770 0.00000 0.45870 0.00000
224 10F 0 0.21402 0.00000 -0.16246 0.00000 0.27099
225 10F+1 0.00000 0.17094 0.00000 0.01360 0.00000
226 10F-1 -0.01994 0.00000 0.10731 0.00000 0.10933
227 10F+2 -0.04537 0.00000 0.21316 0.00000 -0.06773
228 10F-2 0.00000 0.05573 0.00000 -0.05289 0.00000
229 10F+3 0.00000 0.14172 0.00000 0.00026 0.00000
230 10F-3 0.03565 0.00000 0.03141 0.00000 -0.03332
231 7 H 1S -0.11692 0.20310 0.11726 -0.17852 -0.10307
232 2S -0.56863 -0.78810 -0.45501 0.23802 0.13742
233 3S -4.20858 2.08215 1.20213 -2.75277 -1.58932
234 4S -0.32027 0.31121 0.17968 -0.01423 -0.00822
235 5PX 0.25533 -0.23215 -0.06707 0.19270 0.12252
236 5PY -0.14742 0.06707 0.15470 -0.12252 -0.05123
237 5PZ 0.11125 -0.11090 -0.06403 0.10487 0.06055
238 6PX -0.99197 0.34425 0.45695 -0.40569 -0.47240
239 6PY 0.57271 -0.45695 0.18339 0.47240 -0.13979
240 6PZ -0.32066 0.52792 0.30480 -0.29726 -0.17163
241 7PX -1.24154 0.56715 0.77499 -0.80857 -0.85300
242 7PY 0.71680 -0.77499 0.32773 0.85300 -0.17639
243 7PZ -0.62198 0.85825 0.49551 -0.13901 -0.08026
244 8D 0 -0.01531 0.00284 0.00164 -0.02096 -0.01210
245 8D+1 -0.05189 -0.08457 -0.04890 -0.01710 0.03595
246 8D-1 0.02996 0.04890 0.02811 -0.03595 0.05860
247 8D+2 -0.00085 0.00415 -0.08622 0.00733 0.06354
248 8D-2 0.00147 0.08143 -0.00415 -0.07201 -0.00733
249 9D 0 0.20751 0.05180 0.02991 0.11115 0.06417
250 9D+1 -0.22627 0.48576 0.29384 -0.15270 -0.14848
251 9D-1 0.13064 -0.29384 -0.14646 0.14848 -0.01875
252 9D+2 -0.17562 -0.06427 0.56059 0.02305 -0.44539
253 9D-2 0.30419 -0.48638 0.06427 0.41878 -0.02305
254 10F 0 0.21402 0.14070 0.08123 -0.23468 -0.13550
255 10F+1 -0.01727 -0.03775 -0.12049 -0.07860 -0.05323
256 10F-1 0.00997 0.12049 -0.10138 0.05323 0.01713
257 10F+2 0.02269 0.11643 0.01149 -0.05223 0.02273
258 10F-2 -0.03929 -0.14593 -0.11643 0.03758 0.05223
259 10F+3 0.00000 -0.07086 0.12273 -0.00013 0.00023
260 10F-3 0.03565 -0.02720 -0.01571 0.02886 0.01666
261 8 H 1S -0.11692 -0.20310 0.11726 0.17852 -0.10307
262 2S -0.56863 0.78810 -0.45501 -0.23802 0.13742
263 3S -4.20858 -2.08215 1.20213 2.75277 -1.58932
264 4S -0.32027 -0.31121 0.17968 0.01423 -0.00822
265 5PX -0.25533 -0.23215 0.06707 0.19270 -0.12252
266 5PY -0.14742 -0.06707 0.15470 0.12252 -0.05123
267 5PZ 0.11125 0.11090 -0.06403 -0.10487 0.06055
268 6PX 0.99197 0.34425 -0.45695 -0.40569 0.47240
269 6PY 0.57271 0.45695 0.18339 -0.47240 -0.13979
270 6PZ -0.32066 -0.52792 0.30480 0.29726 -0.17163
271 7PX 1.24154 0.56715 -0.77499 -0.80857 0.85300
272 7PY 0.71680 0.77499 0.32773 -0.85300 -0.17639
273 7PZ -0.62198 -0.85825 0.49551 0.13901 -0.08026
274 8D 0 -0.01531 -0.00284 0.00164 0.02096 -0.01210
275 8D+1 0.05189 -0.08457 0.04890 -0.01710 -0.03595
276 8D-1 0.02996 -0.04890 0.02811 0.03595 0.05860
277 8D+2 -0.00085 -0.00415 -0.08622 -0.00733 0.06354
278 8D-2 -0.00147 0.08143 0.00415 -0.07201 0.00733
279 9D 0 0.20751 -0.05180 0.02991 -0.11115 0.06417
280 9D+1 0.22627 0.48576 -0.29384 -0.15270 0.14848
281 9D-1 0.13064 0.29384 -0.14646 -0.14848 -0.01875
282 9D+2 -0.17562 0.06427 0.56059 -0.02305 -0.44539
283 9D-2 -0.30419 -0.48638 -0.06427 0.41878 0.02305
284 10F 0 0.21402 -0.14070 0.08123 0.23468 -0.13550
285 10F+1 0.01727 -0.03775 0.12049 -0.07860 0.05323
286 10F-1 0.00997 -0.12049 -0.10138 -0.05323 0.01713
287 10F+2 0.02269 -0.11643 0.01149 0.05223 0.02273
288 10F-2 0.03929 -0.14593 0.11643 0.03758 -0.05223
289 10F+3 0.00000 -0.07086 -0.12273 -0.00013 -0.00023
290 10F-3 0.03565 0.02720 -0.01571 -0.02886 0.01666
201 202 203 204 205
(A2U)--V (A2G)--V (EG)--V (EG)--V (A1G)--V
Eigenvalues -- 7.40789 7.61302 7.61914 7.61914 7.66258
1 1 C 1S 0.01280 0.00000 0.00000 0.00000 -0.05603
2 2S -0.02529 0.00000 0.00000 0.00000 0.16451
3 3S 0.17118 0.00000 0.00000 0.00000 1.59402
4 4S -0.97583 0.00000 0.00000 0.00000 -0.80819
5 5S 0.32204 0.00000 0.00000 0.00000 -0.21325
6 6PX 0.00000 0.00000 0.00000 -0.01802 0.00000
7 6PY 0.00000 0.00000 -0.01802 0.00000 0.00000
8 6PZ -0.14537 0.00000 0.00000 0.00000 0.36340
9 7PX 0.00000 0.00000 0.00000 -0.43622 0.00000
10 7PY 0.00000 0.00000 -0.43622 0.00000 0.00000
11 7PZ 0.13406 0.00000 0.00000 0.00000 -0.71526
12 8PX 0.00000 0.00000 0.00000 2.72395 0.00000
13 8PY 0.00000 0.00000 2.72395 0.00000 0.00000
14 8PZ 0.49278 0.00000 0.00000 0.00000 0.73979
15 9PX 0.00000 0.00000 0.00000 0.01436 0.00000
16 9PY 0.00000 0.00000 0.01436 0.00000 0.00000
17 9PZ 0.00624 0.00000 0.00000 0.00000 0.01554
18 10D 0 -0.64539 0.00000 0.00000 0.00000 0.02590
19 10D+1 0.00000 0.00000 0.00000 0.16145 0.00000
20 10D-1 0.00000 0.00000 0.16145 0.00000 0.00000
21 10D+2 0.00000 0.00000 0.42819 0.00000 0.00000
22 10D-2 0.00000 0.00000 0.00000 0.42819 0.00000
23 11D 0 1.40412 0.00000 0.00000 0.00000 0.05723
24 11D+1 0.00000 0.00000 0.00000 -0.57027 0.00000
25 11D-1 0.00000 0.00000 -0.57027 0.00000 0.00000
26 11D+2 0.00000 0.00000 -0.96510 0.00000 0.00000
27 11D-2 0.00000 0.00000 0.00000 -0.96510 0.00000
28 12D 0 0.58604 0.00000 0.00000 0.00000 -0.01149
29 12D+1 0.00000 0.00000 0.00000 -0.74242 0.00000
30 12D-1 0.00000 0.00000 -0.74242 0.00000 0.00000
31 12D+2 0.00000 0.00000 -0.80537 0.00000 0.00000
32 12D-2 0.00000 0.00000 0.00000 -0.80537 0.00000
33 13F 0 0.15518 0.00000 0.00000 0.00000 -0.37899
34 13F+1 0.00000 0.00000 0.00000 -0.24392 0.00000
35 13F-1 0.00000 0.00000 -0.24392 0.00000 0.00000
36 13F+2 0.00000 0.00000 -0.11982 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 -0.11982 0.00000
38 13F+3 0.00000 -0.07749 0.00000 0.00000 0.00000
39 13F-3 0.14489 0.00000 0.00000 0.00000 -0.01510
40 14F 0 -0.51883 0.00000 0.00000 0.00000 0.31438
41 14F+1 0.00000 0.00000 0.00000 0.66115 0.00000
42 14F-1 0.00000 0.00000 0.66115 0.00000 0.00000
43 14F+2 0.00000 0.00000 -0.58022 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 -0.58022 0.00000
45 14F+3 0.00000 0.51203 0.00000 0.00000 0.00000
46 14F-3 0.72153 0.00000 0.00000 0.00000 0.64236
47 15G 0 -0.60285 0.00000 0.00000 0.00000 -0.31677
48 15G+1 0.00000 0.00000 0.00000 -0.41747 0.00000
49 15G-1 0.00000 0.00000 -0.41747 0.00000 0.00000
50 15G+2 0.00000 0.00000 -0.23450 0.00000 0.00000
51 15G-2 0.00000 0.00000 0.00000 -0.23450 0.00000
52 15G+3 0.00000 0.80543 0.00000 0.00000 0.00000
53 15G-3 0.08252 0.00000 0.00000 0.00000 -0.02161
54 15G+4 0.00000 0.00000 -0.06246 0.00000 0.00000
55 15G-4 0.00000 0.00000 0.00000 0.06246 0.00000
56 2 C 1S -0.01280 0.00000 0.00000 0.00000 -0.05603
57 2S 0.02529 0.00000 0.00000 0.00000 0.16451
58 3S -0.17118 0.00000 0.00000 0.00000 1.59402
59 4S 0.97583 0.00000 0.00000 0.00000 -0.80819
60 5S -0.32204 0.00000 0.00000 0.00000 -0.21325
61 6PX 0.00000 0.00000 0.00000 0.01802 0.00000
62 6PY 0.00000 0.00000 0.01802 0.00000 0.00000
63 6PZ -0.14537 0.00000 0.00000 0.00000 -0.36340
64 7PX 0.00000 0.00000 0.00000 0.43622 0.00000
65 7PY 0.00000 0.00000 0.43622 0.00000 0.00000
66 7PZ 0.13406 0.00000 0.00000 0.00000 0.71526
67 8PX 0.00000 0.00000 0.00000 -2.72395 0.00000
68 8PY 0.00000 0.00000 -2.72395 0.00000 0.00000
69 8PZ 0.49278 0.00000 0.00000 0.00000 -0.73979
70 9PX 0.00000 0.00000 0.00000 -0.01436 0.00000
71 9PY 0.00000 0.00000 -0.01436 0.00000 0.00000
72 9PZ 0.00624 0.00000 0.00000 0.00000 -0.01554
73 10D 0 0.64539 0.00000 0.00000 0.00000 0.02590
74 10D+1 0.00000 0.00000 0.00000 0.16145 0.00000
75 10D-1 0.00000 0.00000 0.16145 0.00000 0.00000
76 10D+2 0.00000 0.00000 0.42819 0.00000 0.00000
77 10D-2 0.00000 0.00000 0.00000 0.42819 0.00000
78 11D 0 -1.40412 0.00000 0.00000 0.00000 0.05723
79 11D+1 0.00000 0.00000 0.00000 -0.57027 0.00000
80 11D-1 0.00000 0.00000 -0.57027 0.00000 0.00000
81 11D+2 0.00000 0.00000 -0.96510 0.00000 0.00000
82 11D-2 0.00000 0.00000 0.00000 -0.96510 0.00000
83 12D 0 -0.58604 0.00000 0.00000 0.00000 -0.01149
84 12D+1 0.00000 0.00000 0.00000 -0.74242 0.00000
85 12D-1 0.00000 0.00000 -0.74242 0.00000 0.00000
86 12D+2 0.00000 0.00000 -0.80537 0.00000 0.00000
87 12D-2 0.00000 0.00000 0.00000 -0.80537 0.00000
88 13F 0 0.15518 0.00000 0.00000 0.00000 0.37899
89 13F+1 0.00000 0.00000 0.00000 0.24392 0.00000
90 13F-1 0.00000 0.00000 0.24392 0.00000 0.00000
91 13F+2 0.00000 0.00000 0.11982 0.00000 0.00000
92 13F-2 0.00000 0.00000 0.00000 0.11982 0.00000
93 13F+3 0.00000 0.07749 0.00000 0.00000 0.00000
94 13F-3 0.14489 0.00000 0.00000 0.00000 0.01510
95 14F 0 -0.51883 0.00000 0.00000 0.00000 -0.31438
96 14F+1 0.00000 0.00000 0.00000 -0.66115 0.00000
97 14F-1 0.00000 0.00000 -0.66115 0.00000 0.00000
98 14F+2 0.00000 0.00000 0.58022 0.00000 0.00000
99 14F-2 0.00000 0.00000 0.00000 0.58022 0.00000
100 14F+3 0.00000 -0.51203 0.00000 0.00000 0.00000
101 14F-3 0.72153 0.00000 0.00000 0.00000 -0.64236
102 15G 0 0.60285 0.00000 0.00000 0.00000 -0.31677
103 15G+1 0.00000 0.00000 0.00000 -0.41747 0.00000
104 15G-1 0.00000 0.00000 -0.41747 0.00000 0.00000
105 15G+2 0.00000 0.00000 -0.23450 0.00000 0.00000
106 15G-2 0.00000 0.00000 0.00000 -0.23450 0.00000
107 15G+3 0.00000 0.80543 0.00000 0.00000 0.00000
108 15G-3 -0.08252 0.00000 0.00000 0.00000 -0.02161
109 15G+4 0.00000 0.00000 -0.06246 0.00000 0.00000
110 15G-4 0.00000 0.00000 0.00000 0.06246 0.00000
111 3 H 1S 0.01695 0.00000 -0.02116 0.00000 0.06695
112 2S 0.32198 0.00000 -0.62411 0.00000 0.24577
113 3S 0.31947 0.00000 -1.37811 0.00000 0.06062
114 4S -0.05505 0.00000 0.25411 0.00000 -0.01617
115 5PX 0.00000 -0.21182 0.00000 0.13612 0.00000
116 5PY 0.15526 0.00000 -0.46583 0.00000 0.07234
117 5PZ 0.04027 0.00000 0.13239 0.00000 0.21072
118 6PX 0.00000 0.54836 0.00000 0.09375 0.00000
119 6PY -0.18480 0.00000 0.79848 0.00000 -0.05318
120 6PZ -0.54529 0.00000 -0.11674 0.00000 -0.34370
121 7PX 0.00000 0.11764 0.00000 0.48348 0.00000
122 7PY 0.11244 0.00000 0.01418 0.00000 0.19812
123 7PZ -0.45423 0.00000 0.41658 0.00000 -0.04775
124 8D 0 -0.06753 0.00000 0.01739 0.00000 0.05514
125 8D+1 0.00000 0.03208 0.00000 0.02293 0.00000
126 8D-1 -0.06117 0.00000 -0.02371 0.00000 -0.08359
127 8D+2 -0.11549 0.00000 0.11578 0.00000 -0.08269
128 8D-2 0.00000 0.03479 0.00000 0.01291 0.00000
129 9D 0 0.39351 0.00000 -0.05910 0.00000 0.21004
130 9D+1 0.00000 0.00517 0.00000 0.01910 0.00000
131 9D-1 0.39251 0.00000 0.02804 0.00000 -0.00989
132 9D+2 0.08781 0.00000 -0.13192 0.00000 0.12479
133 9D-2 0.00000 -0.37606 0.00000 -0.34568 0.00000
134 10F 0 0.03434 0.00000 -0.05752 0.00000 -0.28328
135 10F+1 0.00000 -0.29679 0.00000 -0.19186 0.00000
136 10F-1 -0.19886 0.00000 0.06364 0.00000 -0.11477
137 10F+2 -0.09568 0.00000 0.06035 0.00000 -0.19312
138 10F-2 0.00000 -0.21736 0.00000 -0.19899 0.00000
139 10F+3 0.00000 -0.20970 0.00000 -0.23540 0.00000
140 10F-3 0.14402 0.00000 0.25513 0.00000 0.04767
141 4 H 1S 0.01695 0.00000 0.01058 0.01832 0.06695
142 2S 0.32198 0.00000 0.31205 0.54049 0.24577
143 3S 0.31947 0.00000 0.68906 1.19348 0.06062
144 4S -0.05505 0.00000 -0.12706 -0.22007 -0.01617
145 5PX -0.13445 0.10591 -0.26065 -0.31535 -0.06265
146 5PY -0.07763 -0.18344 -0.01437 -0.26065 -0.03617
147 5PZ 0.04027 0.00000 -0.06619 -0.11465 0.21072
148 6PX 0.16004 -0.27418 0.30516 0.62230 0.04606
149 6PY 0.09240 0.47489 0.26993 0.30516 0.02659
150 6PZ -0.54529 0.00000 0.05837 0.10110 -0.34370
151 7PX -0.09738 -0.05882 -0.20321 0.13150 -0.17158
152 7PY -0.05622 0.10188 0.36615 -0.20321 -0.09906
153 7PZ -0.45423 0.00000 -0.20829 -0.36077 -0.04775
154 8D 0 -0.06753 0.00000 -0.00869 -0.01506 0.05514
155 8D+1 0.05298 -0.01604 -0.02020 -0.01205 0.07240
156 8D-1 0.03059 0.02778 0.01127 -0.02020 0.04180
157 8D+2 0.05775 0.03013 0.03863 0.04454 0.04134
158 8D-2 0.10002 -0.01739 0.04454 0.09006 0.07161
159 9D 0 0.39351 0.00000 0.02955 0.05118 0.21004
160 9D+1 -0.33993 -0.00259 0.00387 0.02580 0.00856
161 9D-1 -0.19626 0.00448 0.02133 0.00387 0.00494
162 9D+2 -0.04391 -0.32568 -0.29224 0.09256 -0.06240
163 9D-2 -0.07605 0.18803 0.09256 -0.18536 -0.10807
164 10F 0 0.03434 0.00000 0.02876 0.04981 -0.28328
165 10F+1 0.17221 0.14839 0.11063 -0.00024 0.09940
166 10F-1 0.09943 -0.25702 -0.12798 0.11063 0.05739
167 10F+2 0.04784 -0.18824 -0.13415 0.11230 0.09656
168 10F-2 0.08286 0.10868 0.11230 -0.00448 0.16724
169 10F+3 0.00000 -0.20970 -0.20386 0.11770 0.00000
170 10F-3 0.14402 0.00000 -0.12756 -0.22095 0.04767
171 5 H 1S 0.01695 0.00000 0.01058 -0.01832 0.06695
172 2S 0.32198 0.00000 0.31205 -0.54049 0.24577
173 3S 0.31947 0.00000 0.68906 -1.19348 0.06062
174 4S -0.05505 0.00000 -0.12706 0.22007 -0.01617
175 5PX 0.13445 0.10591 0.26065 -0.31535 0.06265
176 5PY -0.07763 0.18344 -0.01437 0.26065 -0.03617
177 5PZ 0.04027 0.00000 -0.06619 0.11465 0.21072
178 6PX -0.16004 -0.27418 -0.30516 0.62230 -0.04606
179 6PY 0.09240 -0.47489 0.26993 -0.30516 0.02659
180 6PZ -0.54529 0.00000 0.05837 -0.10110 -0.34370
181 7PX 0.09738 -0.05882 0.20321 0.13150 0.17158
182 7PY -0.05622 -0.10188 0.36615 0.20321 -0.09906
183 7PZ -0.45423 0.00000 -0.20829 0.36077 -0.04775
184 8D 0 -0.06753 0.00000 -0.00869 0.01506 0.05514
185 8D+1 -0.05298 -0.01604 0.02020 -0.01205 -0.07240
186 8D-1 0.03059 -0.02778 0.01127 0.02020 0.04180
187 8D+2 0.05775 -0.03013 0.03863 -0.04454 0.04134
188 8D-2 -0.10002 -0.01739 -0.04454 0.09006 -0.07161
189 9D 0 0.39351 0.00000 0.02955 -0.05118 0.21004
190 9D+1 0.33993 -0.00259 -0.00387 0.02580 -0.00856
191 9D-1 -0.19626 -0.00448 0.02133 -0.00387 0.00494
192 9D+2 -0.04391 0.32568 -0.29224 -0.09256 -0.06240
193 9D-2 0.07605 0.18803 -0.09256 -0.18536 0.10807
194 10F 0 0.03434 0.00000 0.02876 -0.04981 -0.28328
195 10F+1 -0.17221 0.14839 -0.11063 -0.00024 -0.09940
196 10F-1 0.09943 0.25702 -0.12798 -0.11063 0.05739
197 10F+2 0.04784 0.18824 -0.13415 -0.11230 0.09656
198 10F-2 -0.08286 0.10868 -0.11230 -0.00448 -0.16724
199 10F+3 0.00000 -0.20970 0.20386 0.11770 0.00000
200 10F-3 0.14402 0.00000 -0.12756 0.22095 0.04767
201 6 H 1S -0.01695 0.00000 -0.02116 0.00000 0.06695
202 2S -0.32198 0.00000 -0.62411 0.00000 0.24577
203 3S -0.31947 0.00000 -1.37811 0.00000 0.06062
204 4S 0.05505 0.00000 0.25411 0.00000 -0.01617
205 5PX 0.00000 0.21182 0.00000 -0.13612 0.00000
206 5PY 0.15526 0.00000 0.46583 0.00000 -0.07234
207 5PZ 0.04027 0.00000 -0.13239 0.00000 -0.21072
208 6PX 0.00000 -0.54836 0.00000 -0.09375 0.00000
209 6PY -0.18480 0.00000 -0.79848 0.00000 0.05318
210 6PZ -0.54529 0.00000 0.11674 0.00000 0.34370
211 7PX 0.00000 -0.11764 0.00000 -0.48348 0.00000
212 7PY 0.11244 0.00000 -0.01418 0.00000 -0.19812
213 7PZ -0.45423 0.00000 -0.41658 0.00000 0.04775
214 8D 0 0.06753 0.00000 0.01739 0.00000 0.05514
215 8D+1 0.00000 0.03208 0.00000 0.02293 0.00000
216 8D-1 0.06117 0.00000 -0.02371 0.00000 -0.08359
217 8D+2 0.11549 0.00000 0.11578 0.00000 -0.08269
218 8D-2 0.00000 0.03479 0.00000 0.01291 0.00000
219 9D 0 -0.39351 0.00000 -0.05910 0.00000 0.21004
220 9D+1 0.00000 0.00517 0.00000 0.01910 0.00000
221 9D-1 -0.39251 0.00000 0.02804 0.00000 -0.00989
222 9D+2 -0.08781 0.00000 -0.13192 0.00000 0.12479
223 9D-2 0.00000 -0.37606 0.00000 -0.34568 0.00000
224 10F 0 0.03434 0.00000 0.05752 0.00000 0.28328
225 10F+1 0.00000 0.29679 0.00000 0.19186 0.00000
226 10F-1 -0.19886 0.00000 -0.06364 0.00000 0.11477
227 10F+2 -0.09568 0.00000 -0.06035 0.00000 0.19312
228 10F-2 0.00000 0.21736 0.00000 0.19899 0.00000
229 10F+3 0.00000 0.20970 0.00000 0.23540 0.00000
230 10F-3 0.14402 0.00000 -0.25513 0.00000 -0.04767
231 7 H 1S -0.01695 0.00000 0.01058 -0.01832 0.06695
232 2S -0.32198 0.00000 0.31205 -0.54049 0.24577
233 3S -0.31947 0.00000 0.68906 -1.19348 0.06062
234 4S 0.05505 0.00000 -0.12706 0.22007 -0.01617
235 5PX 0.13445 -0.10591 -0.26065 0.31535 -0.06265
236 5PY -0.07763 -0.18344 0.01437 -0.26065 0.03617
237 5PZ 0.04027 0.00000 0.06619 -0.11465 -0.21072
238 6PX -0.16004 0.27418 0.30516 -0.62230 0.04606
239 6PY 0.09240 0.47489 -0.26993 0.30516 -0.02659
240 6PZ -0.54529 0.00000 -0.05837 0.10110 0.34370
241 7PX 0.09738 0.05882 -0.20321 -0.13150 -0.17158
242 7PY -0.05622 0.10188 -0.36615 -0.20321 0.09906
243 7PZ -0.45423 0.00000 0.20829 -0.36077 0.04775
244 8D 0 0.06753 0.00000 -0.00869 0.01506 0.05514
245 8D+1 0.05298 -0.01604 0.02020 -0.01205 -0.07240
246 8D-1 -0.03059 -0.02778 0.01127 0.02020 0.04180
247 8D+2 -0.05775 -0.03013 0.03863 -0.04454 0.04134
248 8D-2 0.10002 -0.01739 -0.04454 0.09006 -0.07161
249 9D 0 -0.39351 0.00000 0.02955 -0.05118 0.21004
250 9D+1 -0.33993 -0.00259 -0.00387 0.02580 -0.00856
251 9D-1 0.19626 -0.00448 0.02133 -0.00387 0.00494
252 9D+2 0.04391 0.32568 -0.29224 -0.09256 -0.06240
253 9D-2 -0.07605 0.18803 -0.09256 -0.18536 0.10807
254 10F 0 0.03434 0.00000 -0.02876 0.04981 0.28328
255 10F+1 -0.17221 -0.14839 0.11063 0.00024 0.09940
256 10F-1 0.09943 -0.25702 0.12798 0.11063 -0.05739
257 10F+2 0.04784 -0.18824 0.13415 0.11230 -0.09656
258 10F-2 -0.08286 -0.10868 0.11230 0.00448 0.16724
259 10F+3 0.00000 0.20970 -0.20386 -0.11770 0.00000
260 10F-3 0.14402 0.00000 0.12756 -0.22095 -0.04767
261 8 H 1S -0.01695 0.00000 0.01058 0.01832 0.06695
262 2S -0.32198 0.00000 0.31205 0.54049 0.24577
263 3S -0.31947 0.00000 0.68906 1.19348 0.06062
264 4S 0.05505 0.00000 -0.12706 -0.22007 -0.01617
265 5PX -0.13445 -0.10591 0.26065 0.31535 0.06265
266 5PY -0.07763 0.18344 0.01437 0.26065 0.03617
267 5PZ 0.04027 0.00000 0.06619 0.11465 -0.21072
268 6PX 0.16004 0.27418 -0.30516 -0.62230 -0.04606
269 6PY 0.09240 -0.47489 -0.26993 -0.30516 -0.02659
270 6PZ -0.54529 0.00000 -0.05837 -0.10110 0.34370
271 7PX -0.09738 0.05882 0.20321 -0.13150 0.17158
272 7PY -0.05622 -0.10188 -0.36615 0.20321 0.09906
273 7PZ -0.45423 0.00000 0.20829 0.36077 0.04775
274 8D 0 0.06753 0.00000 -0.00869 -0.01506 0.05514
275 8D+1 -0.05298 -0.01604 -0.02020 -0.01205 0.07240
276 8D-1 -0.03059 0.02778 0.01127 -0.02020 0.04180
277 8D+2 -0.05775 0.03013 0.03863 0.04454 0.04134
278 8D-2 -0.10002 -0.01739 0.04454 0.09006 0.07161
279 9D 0 -0.39351 0.00000 0.02955 0.05118 0.21004
280 9D+1 0.33993 -0.00259 0.00387 0.02580 0.00856
281 9D-1 0.19626 0.00448 0.02133 0.00387 0.00494
282 9D+2 0.04391 -0.32568 -0.29224 0.09256 -0.06240
283 9D-2 0.07605 0.18803 0.09256 -0.18536 -0.10807
284 10F 0 0.03434 0.00000 -0.02876 -0.04981 0.28328
285 10F+1 0.17221 -0.14839 -0.11063 0.00024 -0.09940
286 10F-1 0.09943 0.25702 0.12798 -0.11063 -0.05739
287 10F+2 0.04784 0.18824 0.13415 -0.11230 -0.09656
288 10F-2 0.08286 -0.10868 -0.11230 0.00448 -0.16724
289 10F+3 0.00000 0.20970 0.20386 -0.11770 0.00000
290 10F-3 0.14402 0.00000 0.12756 0.22095 -0.04767
206 207 208 209 210
(EU)--V (EU)--V (EU)--V (EU)--V (A1U)--V
Eigenvalues -- 7.69051 7.69051 7.80494 7.80494 7.81738
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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 6PX 0.00000 -0.04031 0.00000 0.03401 0.00000
7 6PY -0.04031 0.00000 -0.03401 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 -0.17538 0.00000 -0.26182 0.00000
10 7PY -0.17538 0.00000 0.26182 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 1.04853 0.00000 -0.23361 0.00000
13 8PY 1.04853 0.00000 0.23361 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 -0.08419 0.00000 0.17672 0.00000
16 9PY -0.08419 0.00000 -0.17672 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
19 10D+1 0.00000 -0.19312 0.00000 0.27685 0.00000
20 10D-1 -0.19312 0.00000 -0.27685 0.00000 0.00000
21 10D+2 0.30939 0.00000 -0.26936 0.00000 0.00000
22 10D-2 0.00000 0.30939 0.00000 0.26936 0.00000
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140 10F-3 0.30720 0.00000 -0.18528 0.00000 0.00000
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142 2S 0.28784 0.49856 -0.09786 0.16949 0.00000
143 3S 0.51433 0.89085 0.28364 -0.49127 0.00000
144 4S -0.10151 -0.17582 -0.02545 0.04408 0.00000
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146 5PY -0.05579 -0.19301 0.33564 0.25442 0.41886
147 5PZ -0.00259 -0.00448 -0.07389 0.12798 0.00000
148 6PX 0.26635 0.65919 0.39818 -0.13445 0.18673
149 6PY 0.35164 0.26635 -0.32532 -0.39818 -0.32342
150 6PZ 0.09543 0.16529 0.14877 -0.25768 0.00000
151 7PX 0.03868 0.20400 0.19883 -0.45288 -0.16570
152 7PY 0.15934 0.03868 0.22329 -0.19883 0.28701
153 7PZ 0.10819 0.18740 -0.09304 0.16114 0.00000
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156 8D-1 -0.00654 -0.04803 -0.12228 -0.03321 0.16884
157 8D+2 0.06673 0.01335 -0.01378 0.07228 0.09321
158 8D-2 0.01335 0.08215 -0.07228 0.09724 -0.05382
159 9D 0 -0.17546 -0.30391 -0.03898 0.06751 0.00000
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162 9D+2 -0.24947 0.13270 0.05823 -0.21724 -0.24465
163 9D-2 0.13270 -0.09623 0.21724 -0.30907 0.14125
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166 10F-1 -0.08610 -0.07703 -0.10712 -0.13100 -0.03552
167 10F+2 -0.15379 0.17519 0.00473 0.02753 0.13535
168 10F-2 0.17519 0.04850 -0.02753 0.02705 -0.07814
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170 10F-3 -0.15360 -0.26604 0.09264 -0.16046 0.00000
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172 2S 0.28784 -0.49856 -0.09786 -0.16949 0.00000
173 3S 0.51433 -0.89085 0.28364 0.49127 0.00000
174 4S -0.10151 0.17582 -0.02545 -0.04408 0.00000
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176 5PY -0.05579 0.19301 0.33564 -0.25442 -0.41886
177 5PZ -0.00259 0.00448 -0.07389 -0.12798 0.00000
178 6PX -0.26635 0.65919 -0.39818 -0.13445 0.18673
179 6PY 0.35164 -0.26635 -0.32532 0.39818 0.32342
180 6PZ 0.09543 -0.16529 0.14877 0.25768 0.00000
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182 7PY 0.15934 -0.03868 0.22329 0.19883 -0.28701
183 7PZ 0.10819 -0.18740 -0.09304 -0.16114 0.00000
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186 8D-1 -0.00654 0.04803 -0.12228 0.03321 -0.16884
187 8D+2 0.06673 -0.01335 -0.01378 -0.07228 -0.09321
188 8D-2 -0.01335 0.08215 0.07228 0.09724 -0.05382
189 9D 0 -0.17546 0.30391 -0.03898 -0.06751 0.00000
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191 9D-1 0.09680 -0.08832 0.10646 -0.02153 0.12820
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193 9D-2 -0.13270 -0.09623 -0.21724 -0.30907 0.14125
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196 10F-1 -0.08610 0.07703 -0.10712 0.13100 0.03552
197 10F+2 -0.15379 -0.17519 0.00473 -0.02753 -0.13535
198 10F-2 -0.17519 0.04850 0.02753 0.02705 -0.07814
199 10F+3 0.24003 0.13858 0.23759 -0.13717 -0.18725
200 10F-3 -0.15360 0.26604 0.09264 0.16046 0.00000
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203 3S 1.02866 0.00000 0.56727 0.00000 0.00000
204 4S -0.20302 0.00000 -0.05090 0.00000 0.00000
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206 5PY -0.39009 0.00000 -0.10503 0.00000 0.00000
207 5PZ 0.00518 0.00000 0.14778 0.00000 0.00000
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218 8D-2 0.00000 -0.05902 0.00000 0.02795 -0.10763
219 9D 0 -0.35093 0.00000 -0.07796 0.00000 0.00000
220 9D+1 0.00000 -0.04581 0.00000 0.11889 0.14803
221 9D-1 -0.24978 0.00000 -0.06916 0.00000 0.00000
222 9D+2 0.01962 0.00000 -0.43449 0.00000 0.00000
223 9D-2 0.00000 0.32608 0.00000 -0.06719 0.28250
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226 10F-1 -0.21952 0.00000 0.11979 0.00000 0.00000
227 10F+2 0.14965 0.00000 -0.04294 0.00000 0.00000
228 10F-2 0.00000 -0.25493 0.00000 -0.02063 0.15629
229 10F+3 0.00000 -0.27717 0.00000 0.27434 -0.18725
230 10F-3 0.30720 0.00000 -0.18528 0.00000 0.00000
231 7 H 1S -0.01277 0.02212 0.00212 0.00367 0.00000
232 2S -0.28784 0.49856 0.09786 0.16949 0.00000
233 3S -0.51433 0.89085 -0.28364 -0.49127 0.00000
234 4S 0.10151 -0.17582 0.02545 0.04408 0.00000
235 5PX 0.19301 -0.27866 0.25442 -0.04186 -0.24183
236 5PY -0.05579 0.19301 0.33564 -0.25442 -0.41886
237 5PZ -0.00259 0.00448 -0.07389 -0.12798 0.00000
238 6PX -0.26635 0.65919 -0.39818 -0.13445 0.18673
239 6PY 0.35164 -0.26635 -0.32532 0.39818 0.32342
240 6PZ 0.09543 -0.16529 0.14877 0.25768 0.00000
241 7PX -0.03868 0.20400 -0.19883 -0.45288 -0.16570
242 7PY 0.15934 -0.03868 0.22329 0.19883 -0.28701
243 7PZ 0.10819 -0.18740 -0.09304 -0.16114 0.00000
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246 8D-1 0.00654 -0.04803 0.12228 -0.03321 0.16884
247 8D+2 -0.06673 0.01335 0.01378 0.07228 0.09321
248 8D-2 0.01335 -0.08215 -0.07228 -0.09724 0.05382
249 9D 0 0.17546 -0.30391 0.03898 0.06751 0.00000
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251 9D-1 -0.09680 0.08832 -0.10646 0.02153 -0.12820
252 9D+2 0.24947 0.13270 -0.05823 -0.21724 -0.24465
253 9D-2 0.13270 0.09623 0.21724 0.30907 -0.14125
254 10F 0 0.06408 -0.11099 -0.11373 -0.19698 0.00000
255 10F+1 0.07703 -0.17505 -0.13100 -0.04415 0.02051
256 10F-1 -0.08610 0.07703 -0.10712 0.13100 0.03552
257 10F+2 -0.15379 -0.17519 0.00473 -0.02753 -0.13535
258 10F-2 -0.17519 0.04850 0.02753 0.02705 -0.07814
259 10F+3 0.24003 0.13858 0.23759 -0.13717 -0.18725
260 10F-3 -0.15360 0.26604 0.09264 0.16046 0.00000
261 8 H 1S -0.01277 -0.02212 0.00212 -0.00367 0.00000
262 2S -0.28784 -0.49856 0.09786 -0.16949 0.00000
263 3S -0.51433 -0.89085 -0.28364 0.49127 0.00000
264 4S 0.10151 0.17582 0.02545 -0.04408 0.00000
265 5PX -0.19301 -0.27866 -0.25442 -0.04186 -0.24183
266 5PY -0.05579 -0.19301 0.33564 0.25442 0.41886
267 5PZ -0.00259 -0.00448 -0.07389 0.12798 0.00000
268 6PX 0.26635 0.65919 0.39818 -0.13445 0.18673
269 6PY 0.35164 0.26635 -0.32532 -0.39818 -0.32342
270 6PZ 0.09543 0.16529 0.14877 -0.25768 0.00000
271 7PX 0.03868 0.20400 0.19883 -0.45288 -0.16570
272 7PY 0.15934 0.03868 0.22329 -0.19883 0.28701
273 7PZ 0.10819 0.18740 -0.09304 0.16114 0.00000
274 8D 0 -0.01248 -0.02162 -0.01553 0.02690 0.00000
275 8D+1 0.04803 0.06200 -0.03321 -0.08393 0.09748
276 8D-1 0.00654 0.04803 0.12228 0.03321 -0.16884
277 8D+2 -0.06673 -0.01335 0.01378 -0.07228 -0.09321
278 8D-2 -0.01335 -0.08215 0.07228 -0.09724 0.05382
279 9D 0 0.17546 0.30391 0.03898 -0.06751 0.00000
280 9D+1 -0.08832 -0.19879 0.02153 0.08159 -0.07402
281 9D-1 -0.09680 -0.08832 -0.10646 -0.02153 0.12820
282 9D+2 0.24947 -0.13270 -0.05823 0.21724 0.24465
283 9D-2 -0.13270 0.09623 -0.21724 0.30907 -0.14125
284 10F 0 0.06408 0.11099 -0.11373 0.19698 0.00000
285 10F+1 -0.07703 -0.17505 0.13100 -0.04415 0.02051
286 10F-1 -0.08610 -0.07703 -0.10712 -0.13100 -0.03552
287 10F+2 -0.15379 0.17519 0.00473 0.02753 0.13535
288 10F-2 0.17519 0.04850 -0.02753 0.02705 -0.07814
289 10F+3 -0.24003 0.13858 -0.23759 -0.13717 -0.18725
290 10F-3 -0.15360 -0.26604 0.09264 -0.16046 0.00000
211 212 213 214 215
(EG)--V (EG)--V (A2U)--V (EG)--V (EG)--V
Eigenvalues -- 7.86998 7.86998 7.91873 7.93316 7.93316
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10 7PY 0.00000 -0.53625 0.00000 0.00000 -0.55995
11 7PZ 0.00000 0.00000 -0.47683 0.00000 0.00000
12 8PX 2.21960 0.00000 0.00000 0.95527 0.00000
13 8PY 0.00000 2.21960 0.00000 0.00000 0.95527
14 8PZ 0.00000 0.00000 -1.36128 0.00000 0.00000
15 9PX -0.14388 0.00000 0.00000 -0.11493 0.00000
16 9PY 0.00000 -0.14388 0.00000 0.00000 -0.11493
17 9PZ 0.00000 0.00000 -0.54940 0.00000 0.00000
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21 10D+2 0.00000 -0.10148 0.00000 0.00000 0.30408
22 10D-2 -0.10148 0.00000 0.00000 0.30408 0.00000
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24 11D+1 -1.50587 0.00000 0.00000 -0.45303 0.00000
25 11D-1 0.00000 -1.50587 0.00000 0.00000 -0.45303
26 11D+2 0.00000 -0.19722 0.00000 0.00000 -0.06308
27 11D-2 -0.19722 0.00000 0.00000 -0.06308 0.00000
28 12D 0 0.00000 0.00000 0.49174 0.00000 0.00000
29 12D+1 -1.05459 0.00000 0.00000 -0.89654 0.00000
30 12D-1 0.00000 -1.05459 0.00000 0.00000 -0.89654
31 12D+2 0.00000 -0.32083 0.00000 0.00000 -0.39468
32 12D-2 -0.32083 0.00000 0.00000 -0.39468 0.00000
33 13F 0 0.00000 0.00000 0.27604 0.00000 0.00000
34 13F+1 -0.18896 0.00000 0.00000 0.04427 0.00000
35 13F-1 0.00000 -0.18896 0.00000 0.00000 0.04427
36 13F+2 0.00000 0.02630 0.00000 0.00000 -0.08654
37 13F-2 0.02630 0.00000 0.00000 -0.08654 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.02045 0.00000 0.00000
40 14F 0 0.00000 0.00000 -0.35746 0.00000 0.00000
41 14F+1 1.20650 0.00000 0.00000 0.35393 0.00000
42 14F-1 0.00000 1.20650 0.00000 0.00000 0.35393
43 14F+2 0.00000 0.16435 0.00000 0.00000 -0.13353
44 14F-2 0.16435 0.00000 0.00000 -0.13353 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 -0.31169 0.00000 0.00000
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55 15G-4 -0.06448 0.00000 0.00000 -0.30295 0.00000
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81 11D+2 0.00000 -0.19722 0.00000 0.00000 -0.06308
82 11D-2 -0.19722 0.00000 0.00000 -0.06308 0.00000
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87 12D-2 -0.32083 0.00000 0.00000 -0.39468 0.00000
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89 13F+1 0.18896 0.00000 0.00000 -0.04427 0.00000
90 13F-1 0.00000 0.18896 0.00000 0.00000 -0.04427
91 13F+2 0.00000 -0.02630 0.00000 0.00000 0.08654
92 13F-2 -0.02630 0.00000 0.00000 0.08654 0.00000
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96 14F+1 -1.20650 0.00000 0.00000 -0.35393 0.00000
97 14F-1 0.00000 -1.20650 0.00000 0.00000 -0.35393
98 14F+2 0.00000 -0.16435 0.00000 0.00000 0.13353
99 14F-2 -0.16435 0.00000 0.00000 0.13353 0.00000
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101 14F-3 0.00000 0.00000 -0.31169 0.00000 0.00000
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103 15G+1 -0.24018 0.00000 0.00000 0.37194 0.00000
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106 15G-2 0.15399 0.00000 0.00000 -0.17596 0.00000
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113 3S 0.00000 -0.47724 -0.00409 0.00000 0.10030
114 4S 0.00000 -0.03609 0.17018 0.00000 0.08439
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118 6PX -0.24278 0.00000 0.00000 -0.19095 0.00000
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120 6PZ 0.00000 -0.37391 -0.16725 0.00000 0.10043
121 7PX 0.35538 0.00000 0.00000 0.37035 0.00000
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123 7PZ 0.00000 0.61428 -0.16344 0.00000 0.08236
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128 8D-2 0.01659 0.00000 0.00000 0.01866 0.00000
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130 9D+1 -0.14237 0.00000 0.00000 0.20791 0.00000
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132 9D+2 0.00000 -0.01265 -0.11610 0.00000 0.13602
133 9D-2 -0.10928 0.00000 0.00000 -0.06582 0.00000
134 10F 0 0.00000 0.08325 0.36912 0.00000 0.34709
135 10F+1 -0.07816 0.00000 0.00000 -0.21792 0.00000
136 10F-1 0.00000 0.26640 0.16087 0.00000 0.02966
137 10F+2 0.00000 -0.14986 0.21950 0.00000 0.23812
138 10F-2 0.29870 0.00000 0.00000 -0.19667 0.00000
139 10F+3 -0.04390 0.00000 0.00000 0.06138 0.00000
140 10F-3 0.00000 -0.02809 0.00970 0.00000 -0.29672
141 4 H 1S -0.16108 -0.09300 -0.02908 -0.05735 -0.03311
142 2S 0.01380 0.00797 -0.17613 0.09491 0.05480
143 3S 0.41330 0.23862 -0.00409 -0.08686 -0.05015
144 4S 0.03125 0.01804 0.17018 -0.07308 -0.04219
145 5PX 0.18196 -0.05070 0.14015 0.10131 -0.04493
146 5PY -0.05070 0.24049 0.08092 -0.04493 0.15319
147 5PZ -0.30450 -0.17580 0.02733 0.17582 0.10151
148 6PX -0.25765 -0.00859 -0.10343 -0.15167 0.02268
149 6PY -0.00859 -0.24774 -0.05972 0.02268 -0.17786
150 6PZ 0.32382 0.18696 -0.16725 -0.08698 -0.05022
151 7PX 0.31401 -0.02389 0.16293 0.01914 -0.20277
152 7PY -0.02389 0.34159 0.09407 -0.20277 0.25328
153 7PZ -0.53198 -0.30714 -0.16344 -0.07133 -0.04118
154 8D 0 0.12865 0.07428 -0.09069 -0.08267 -0.04773
155 8D+1 0.14992 0.12329 0.01493 -0.13524 0.00816
156 8D-1 0.12329 0.00757 0.00862 0.00816 -0.14466
157 8D+2 0.00299 0.01832 -0.01820 -0.06192 -0.01709
158 8D-2 0.02177 0.00299 -0.03152 -0.08859 -0.06192
159 9D 0 0.19342 0.11167 -0.07235 0.20299 0.11720
160 9D+1 -0.21343 -0.04103 -0.32434 0.29925 0.05274
161 9D-1 -0.04103 -0.16606 -0.18726 0.05274 0.23835
162 9D+2 0.04184 -0.08512 0.05805 0.08740 -0.01536
163 9D-2 -0.03681 0.04184 0.10054 0.08556 0.08740
164 10F 0 -0.07209 -0.04162 0.36912 -0.30059 -0.17355
165 10F+1 0.18026 0.14920 -0.13931 -0.03224 0.10721
166 10F-1 0.14920 0.00798 -0.08043 0.10721 -0.15603
167 10F+2 -0.19424 0.18656 -0.10975 0.18827 -0.08797
168 10F-2 -0.03772 -0.19424 -0.19009 0.12942 0.18827
169 10F+3 0.02195 -0.03802 0.00000 -0.03069 0.05316
170 10F-3 0.02433 0.01405 0.00970 0.25697 0.14836
171 5 H 1S 0.16108 -0.09300 -0.02908 0.05735 -0.03311
172 2S -0.01380 0.00797 -0.17613 -0.09491 0.05480
173 3S -0.41330 0.23862 -0.00409 0.08686 -0.05015
174 4S -0.03125 0.01804 0.17018 0.07308 -0.04219
175 5PX 0.18196 0.05070 -0.14015 0.10131 0.04493
176 5PY 0.05070 0.24049 0.08092 0.04493 0.15319
177 5PZ 0.30450 -0.17580 0.02733 -0.17582 0.10151
178 6PX -0.25765 0.00859 0.10343 -0.15167 -0.02268
179 6PY 0.00859 -0.24774 -0.05972 -0.02268 -0.17786
180 6PZ -0.32382 0.18696 -0.16725 0.08698 -0.05022
181 7PX 0.31401 0.02389 -0.16293 0.01914 0.20277
182 7PY 0.02389 0.34159 0.09407 0.20277 0.25328
183 7PZ 0.53198 -0.30714 -0.16344 0.07133 -0.04118
184 8D 0 -0.12865 0.07428 -0.09069 0.08267 -0.04773
185 8D+1 0.14992 -0.12329 -0.01493 -0.13524 -0.00816
186 8D-1 -0.12329 0.00757 0.00862 -0.00816 -0.14466
187 8D+2 -0.00299 0.01832 -0.01820 0.06192 -0.01709
188 8D-2 0.02177 -0.00299 0.03152 -0.08859 0.06192
189 9D 0 -0.19342 0.11167 -0.07235 -0.20299 0.11720
190 9D+1 -0.21343 0.04103 0.32434 0.29925 -0.05274
191 9D-1 0.04103 -0.16606 -0.18726 -0.05274 0.23835
192 9D+2 -0.04184 -0.08512 0.05805 -0.08740 -0.01536
193 9D-2 -0.03681 -0.04184 -0.10054 0.08556 -0.08740
194 10F 0 0.07209 -0.04162 0.36912 0.30059 -0.17355
195 10F+1 0.18026 -0.14920 0.13931 -0.03224 -0.10721
196 10F-1 -0.14920 0.00798 -0.08043 -0.10721 -0.15603
197 10F+2 0.19424 0.18656 -0.10975 -0.18827 -0.08797
198 10F-2 -0.03772 0.19424 0.19009 0.12942 -0.18827
199 10F+3 0.02195 0.03802 0.00000 -0.03069 -0.05316
200 10F-3 -0.02433 0.01405 0.00970 -0.25697 0.14836
201 6 H 1S 0.00000 0.18600 0.02908 0.00000 0.06623
202 2S 0.00000 -0.01593 0.17613 0.00000 -0.10960
203 3S 0.00000 -0.47724 0.00409 0.00000 0.10030
204 4S 0.00000 -0.03609 -0.17018 0.00000 0.08439
205 5PX -0.26976 0.00000 0.00000 -0.17913 0.00000
206 5PY 0.00000 -0.15269 -0.16184 0.00000 -0.07536
207 5PZ 0.00000 -0.35161 0.02733 0.00000 0.20302
208 6PX 0.24278 0.00000 0.00000 0.19095 0.00000
209 6PY 0.00000 0.26261 0.11943 0.00000 0.13858
210 6PZ 0.00000 0.37391 -0.16725 0.00000 -0.10043
211 7PX -0.35538 0.00000 0.00000 -0.37035 0.00000
212 7PY 0.00000 -0.30022 -0.18814 0.00000 0.09793
213 7PZ 0.00000 -0.61428 -0.16344 0.00000 -0.08236
214 8D 0 0.00000 -0.14856 0.09069 0.00000 0.09546
215 8D+1 -0.06361 0.00000 0.00000 -0.14938 0.00000
216 8D-1 0.00000 0.22110 0.01724 0.00000 -0.13053
217 8D+2 0.00000 0.02350 -0.03640 0.00000 -0.12434
218 8D-2 0.01659 0.00000 0.00000 0.01866 0.00000
219 9D 0 0.00000 -0.22334 0.07235 0.00000 -0.23439
220 9D+1 -0.14237 0.00000 0.00000 0.20791 0.00000
221 9D-1 0.00000 -0.23712 -0.37451 0.00000 0.32970
222 9D+2 0.00000 -0.01265 0.11610 0.00000 0.13602
223 9D-2 -0.10928 0.00000 0.00000 -0.06582 0.00000
224 10F 0 0.00000 -0.08325 0.36912 0.00000 -0.34709
225 10F+1 0.07816 0.00000 0.00000 0.21792 0.00000
226 10F-1 0.00000 -0.26640 0.16087 0.00000 -0.02966
227 10F+2 0.00000 0.14986 0.21950 0.00000 -0.23812
228 10F-2 -0.29870 0.00000 0.00000 0.19667 0.00000
229 10F+3 0.04390 0.00000 0.00000 -0.06138 0.00000
230 10F-3 0.00000 0.02809 0.00970 0.00000 0.29672
231 7 H 1S 0.16108 -0.09300 0.02908 0.05735 -0.03311
232 2S -0.01380 0.00797 0.17613 -0.09491 0.05480
233 3S -0.41330 0.23862 0.00409 0.08686 -0.05015
234 4S -0.03125 0.01804 -0.17018 0.07308 -0.04219
235 5PX -0.18196 -0.05070 -0.14015 -0.10131 -0.04493
236 5PY -0.05070 -0.24049 0.08092 -0.04493 -0.15319
237 5PZ -0.30450 0.17580 0.02733 0.17582 -0.10151
238 6PX 0.25765 -0.00859 0.10343 0.15167 0.02268
239 6PY -0.00859 0.24774 -0.05972 0.02268 0.17786
240 6PZ 0.32382 -0.18696 -0.16725 -0.08698 0.05022
241 7PX -0.31401 -0.02389 -0.16293 -0.01914 -0.20277
242 7PY -0.02389 -0.34159 0.09407 -0.20277 -0.25328
243 7PZ -0.53198 0.30714 -0.16344 -0.07133 0.04118
244 8D 0 -0.12865 0.07428 0.09069 0.08267 -0.04773
245 8D+1 0.14992 -0.12329 0.01493 -0.13524 -0.00816
246 8D-1 -0.12329 0.00757 -0.00862 -0.00816 -0.14466
247 8D+2 -0.00299 0.01832 0.01820 0.06192 -0.01709
248 8D-2 0.02177 -0.00299 -0.03152 -0.08859 0.06192
249 9D 0 -0.19342 0.11167 0.07235 -0.20299 0.11720
250 9D+1 -0.21343 0.04103 -0.32434 0.29925 -0.05274
251 9D-1 0.04103 -0.16606 0.18726 -0.05274 0.23835
252 9D+2 -0.04184 -0.08512 -0.05805 -0.08740 -0.01536
253 9D-2 -0.03681 -0.04184 0.10054 0.08556 -0.08740
254 10F 0 -0.07209 0.04162 0.36912 -0.30059 0.17355
255 10F+1 -0.18026 0.14920 0.13931 0.03224 0.10721
256 10F-1 0.14920 -0.00798 -0.08043 0.10721 0.15603
257 10F+2 -0.19424 -0.18656 -0.10975 0.18827 0.08797
258 10F-2 0.03772 -0.19424 0.19009 -0.12942 0.18827
259 10F+3 -0.02195 -0.03802 0.00000 0.03069 0.05316
260 10F-3 0.02433 -0.01405 0.00970 0.25697 -0.14836
261 8 H 1S -0.16108 -0.09300 0.02908 -0.05735 -0.03311
262 2S 0.01380 0.00797 0.17613 0.09491 0.05480
263 3S 0.41330 0.23862 0.00409 -0.08686 -0.05015
264 4S 0.03125 0.01804 -0.17018 -0.07308 -0.04219
265 5PX -0.18196 0.05070 0.14015 -0.10131 0.04493
266 5PY 0.05070 -0.24049 0.08092 0.04493 -0.15319
267 5PZ 0.30450 0.17580 0.02733 -0.17582 -0.10151
268 6PX 0.25765 0.00859 -0.10343 0.15167 -0.02268
269 6PY 0.00859 0.24774 -0.05972 -0.02268 0.17786
270 6PZ -0.32382 -0.18696 -0.16725 0.08698 0.05022
271 7PX -0.31401 0.02389 0.16293 -0.01914 0.20277
272 7PY 0.02389 -0.34159 0.09407 0.20277 -0.25328
273 7PZ 0.53198 0.30714 -0.16344 0.07133 0.04118
274 8D 0 0.12865 0.07428 0.09069 -0.08267 -0.04773
275 8D+1 0.14992 0.12329 -0.01493 -0.13524 0.00816
276 8D-1 0.12329 0.00757 -0.00862 0.00816 -0.14466
277 8D+2 0.00299 0.01832 0.01820 -0.06192 -0.01709
278 8D-2 0.02177 0.00299 0.03152 -0.08859 -0.06192
279 9D 0 0.19342 0.11167 0.07235 0.20299 0.11720
280 9D+1 -0.21343 -0.04103 0.32434 0.29925 0.05274
281 9D-1 -0.04103 -0.16606 0.18726 0.05274 0.23835
282 9D+2 0.04184 -0.08512 -0.05805 0.08740 -0.01536
283 9D-2 -0.03681 0.04184 -0.10054 0.08556 0.08740
284 10F 0 0.07209 0.04162 0.36912 0.30059 0.17355
285 10F+1 -0.18026 -0.14920 -0.13931 0.03224 -0.10721
286 10F-1 -0.14920 -0.00798 -0.08043 -0.10721 0.15603
287 10F+2 0.19424 -0.18656 -0.10975 -0.18827 0.08797
288 10F-2 0.03772 0.19424 -0.19009 -0.12942 -0.18827
289 10F+3 -0.02195 0.03802 0.00000 0.03069 -0.05316
290 10F-3 -0.02433 -0.01405 0.00970 -0.25697 -0.14836
216 217 218 219 220
(A1G)--V (EG)--V (EG)--V (A1G)--V (EU)--V
Eigenvalues -- 7.97209 8.02846 8.02846 8.07044 8.12791
1 1 C 1S -0.05116 0.00000 0.00000 -0.08810 0.00000
2 2S 0.10615 0.00000 0.00000 0.17855 0.00000
3 3S 0.39320 0.00000 0.00000 1.46573 0.00000
4 4S 4.14419 0.00000 0.00000 -0.37157 0.00000
5 5S 1.70736 0.00000 0.00000 -0.64905 0.00000
6 6PX 0.00000 -0.19610 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 -0.19610 0.00000 -0.03553
8 6PZ 0.27052 0.00000 0.00000 0.14870 0.00000
9 7PX 0.00000 0.00077 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.00077 0.00000 0.05255
11 7PZ -0.65158 0.00000 0.00000 -0.38101 0.00000
12 8PX 0.00000 1.34385 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 1.34385 0.00000 -0.13079
14 8PZ 1.06134 0.00000 0.00000 1.18006 0.00000
15 9PX 0.00000 0.68511 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 0.68511 0.00000 -0.01737
17 9PZ -0.16261 0.00000 0.00000 0.56169 0.00000
18 10D 0 0.21686 0.00000 0.00000 0.28509 0.00000
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20 10D-1 0.00000 0.00000 0.33178 0.00000 0.15616
21 10D+2 0.00000 0.00000 0.37408 0.00000 0.15164
22 10D-2 0.00000 0.37408 0.00000 0.00000 0.00000
23 11D 0 -0.45404 0.00000 0.00000 0.47667 0.00000
24 11D+1 0.00000 -0.57982 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.57982 0.00000 0.07612
26 11D+2 0.00000 0.00000 -0.10261 0.00000 0.42867
27 11D-2 0.00000 -0.10261 0.00000 0.00000 0.00000
28 12D 0 -0.78411 0.00000 0.00000 -0.41673 0.00000
29 12D+1 0.00000 -0.07342 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 -0.07342 0.00000 0.05501
31 12D+2 0.00000 0.00000 -0.04459 0.00000 -0.16691
32 12D-2 0.00000 -0.04459 0.00000 0.00000 0.00000
33 13F 0 -0.06307 0.00000 0.00000 -0.33159 0.00000
34 13F+1 0.00000 0.08301 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.08301 0.00000 0.34040
36 13F+2 0.00000 0.00000 0.35749 0.00000 -0.03256
37 13F-2 0.00000 0.35749 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 -0.40040 0.00000 0.00000 0.11454 0.00000
40 14F 0 0.54665 0.00000 0.00000 0.63087 0.00000
41 14F+1 0.00000 0.55477 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.55477 0.00000 -0.14735
43 14F+2 0.00000 0.00000 -0.12544 0.00000 0.03548
44 14F-2 0.00000 -0.12544 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 -0.41082 0.00000 0.00000 -0.35027 0.00000
47 15G 0 -0.05930 0.00000 0.00000 -0.39148 0.00000
48 15G+1 0.00000 -0.23809 0.00000 0.00000 0.00000
49 15G-1 0.00000 0.00000 -0.23809 0.00000 0.15696
50 15G+2 0.00000 0.00000 0.11106 0.00000 -0.29717
51 15G-2 0.00000 0.11106 0.00000 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 -0.07928 0.00000 0.00000 -0.25283 0.00000
54 15G+4 0.00000 0.00000 0.07081 0.00000 0.22369
55 15G-4 0.00000 -0.07081 0.00000 0.00000 0.00000
56 2 C 1S -0.05116 0.00000 0.00000 -0.08810 0.00000
57 2S 0.10615 0.00000 0.00000 0.17855 0.00000
58 3S 0.39320 0.00000 0.00000 1.46573 0.00000
59 4S 4.14419 0.00000 0.00000 -0.37157 0.00000
60 5S 1.70736 0.00000 0.00000 -0.64905 0.00000
61 6PX 0.00000 0.19610 0.00000 0.00000 0.00000
62 6PY 0.00000 0.00000 0.19610 0.00000 -0.03553
63 6PZ -0.27052 0.00000 0.00000 -0.14870 0.00000
64 7PX 0.00000 -0.00077 0.00000 0.00000 0.00000
65 7PY 0.00000 0.00000 -0.00077 0.00000 0.05255
66 7PZ 0.65158 0.00000 0.00000 0.38101 0.00000
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290 10F-3 0.25117 0.03818 0.02204 0.38916 0.12619
221 222 223 224 225
(EU)--V (EG)--V (EG)--V (A2U)--V (EU)--V
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280 9D+1 -0.41800 0.01234 0.15935 -0.35839 0.31706
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289 10F+3 -0.05675 -0.07512 0.13012 0.00000 0.09581
290 10F-3 0.21857 0.11623 0.06711 -0.18338 0.03160
226 227 228 229 230
(EU)--V (A2G)--V (A2U)--V (EG)--V (EG)--V
Eigenvalues -- 8.21979 8.24779 8.29978 8.47133 8.47133
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290 10F-3 -0.01825 0.00000 -0.37666 -0.17831 0.10295
231 232 233 234 235
(A1G)--V (EU)--V (EU)--V (EU)--V (EU)--V
Eigenvalues -- 8.47613 8.55649 8.55649 8.65470 8.65470
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55 15G-4 0.00000 -0.27774 0.00000 -0.03978 0.00000
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60 5S 1.34694 0.00000 0.00000 0.00000 0.00000
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131 9D-1 -0.45919 0.00000 -0.20578 0.00000 0.22959
132 9D+2 0.45220 0.00000 0.30586 0.00000 0.12063
133 9D-2 0.00000 0.50514 0.00000 -0.36079 0.00000
134 10F 0 -0.13200 0.00000 -0.17357 0.00000 -0.09857
135 10F+1 0.00000 -0.18744 0.00000 -0.00186 0.00000
136 10F-1 -0.00886 0.00000 -0.03613 0.00000 0.06302
137 10F+2 -0.20136 0.00000 -0.14198 0.00000 -0.14325
138 10F-2 0.00000 -0.51498 0.00000 0.02099 0.00000
139 10F+3 0.00000 0.17928 0.00000 -0.03066 0.00000
140 10F-3 -0.20900 0.00000 -0.16021 0.00000 -0.05997
141 4 H 1S 0.16972 0.01183 0.00683 -0.03224 0.01862
142 2S -0.75712 0.30960 0.17875 0.13308 -0.07683
143 3S -1.53695 0.54075 0.31220 0.71938 -0.41533
144 4S -0.22564 0.22632 0.13066 0.06023 -0.03478
145 5PX -0.19864 0.04563 0.03367 0.05216 -0.06717
146 5PY -0.11468 0.03367 0.00675 0.06717 0.02540
147 5PZ -0.08565 -0.29511 -0.17038 0.16899 -0.09756
148 6PX -0.22317 0.23044 0.17701 -0.00755 0.07502
149 6PY -0.12885 0.17701 0.02604 -0.07502 -0.07907
150 6PZ 0.29327 0.41004 0.23674 -0.47213 0.27259
151 7PX -0.79494 0.31555 0.68832 0.22126 0.04651
152 7PY -0.45896 0.68832 -0.47925 -0.04651 -0.27497
153 7PZ 0.32224 -0.04045 -0.02336 -0.44262 0.25554
154 8D 0 -0.15353 0.19122 0.11040 0.10248 -0.05917
155 8D+1 -0.20575 0.05920 0.18308 -0.05275 -0.25995
156 8D-1 -0.11879 0.18308 -0.15220 0.25995 0.35292
157 8D+2 0.06822 0.12483 -0.19243 -0.09438 -0.27749
158 8D-2 0.11816 -0.04829 0.12483 0.16851 0.09438
159 9D 0 0.20459 -0.34754 -0.20065 0.05609 -0.03238
160 9D+1 0.39767 0.01146 -0.37627 -0.09645 0.23060
161 9D-1 0.22959 -0.37627 0.44594 -0.23060 -0.16982
162 9D+2 -0.22610 -0.08629 0.45532 0.10399 0.30075
163 9D-2 -0.39162 0.35568 -0.08629 -0.18067 -0.10399
164 10F 0 -0.13200 0.15032 0.08678 -0.08536 0.04928
165 10F+1 0.00767 -0.07396 0.06552 -0.04773 0.02649
166 10F-1 0.00443 0.06552 -0.14961 -0.02649 0.01715
167 10F+2 0.10068 0.16151 -0.42173 0.05294 -0.05155
168 10F-2 0.17438 -0.23523 0.16151 0.11268 -0.05294
169 10F+3 0.00000 -0.08964 0.15526 0.01533 0.02655
170 10F-3 -0.20900 0.13875 0.08011 -0.05194 0.02999
171 5 H 1S 0.16972 -0.01183 0.00683 0.03224 0.01862
172 2S -0.75712 -0.30960 0.17875 -0.13308 -0.07683
173 3S -1.53695 -0.54075 0.31220 -0.71938 -0.41533
174 4S -0.22564 -0.22632 0.13066 -0.06023 -0.03478
175 5PX 0.19864 0.04563 -0.03367 0.05216 0.06717
176 5PY -0.11468 -0.03367 0.00675 -0.06717 0.02540
177 5PZ -0.08565 0.29511 -0.17038 -0.16899 -0.09756
178 6PX 0.22317 0.23044 -0.17701 -0.00755 -0.07502
179 6PY -0.12885 -0.17701 0.02604 0.07502 -0.07907
180 6PZ 0.29327 -0.41004 0.23674 0.47213 0.27259
181 7PX 0.79494 0.31555 -0.68832 0.22126 -0.04651
182 7PY -0.45896 -0.68832 -0.47925 0.04651 -0.27497
183 7PZ 0.32224 0.04045 -0.02336 0.44262 0.25554
184 8D 0 -0.15353 -0.19122 0.11040 -0.10248 -0.05917
185 8D+1 0.20575 0.05920 -0.18308 -0.05275 0.25995
186 8D-1 -0.11879 -0.18308 -0.15220 -0.25995 0.35292
187 8D+2 0.06822 -0.12483 -0.19243 0.09438 -0.27749
188 8D-2 -0.11816 -0.04829 -0.12483 0.16851 -0.09438
189 9D 0 0.20459 0.34754 -0.20065 -0.05609 -0.03238
190 9D+1 -0.39767 0.01146 0.37627 -0.09645 -0.23060
191 9D-1 0.22959 0.37627 0.44594 0.23060 -0.16982
192 9D+2 -0.22610 0.08629 0.45532 -0.10399 0.30075
193 9D-2 0.39162 0.35568 0.08629 -0.18067 0.10399
194 10F 0 -0.13200 -0.15032 0.08678 0.08536 0.04928
195 10F+1 -0.00767 -0.07396 -0.06552 -0.04773 -0.02649
196 10F-1 0.00443 -0.06552 -0.14961 0.02649 0.01715
197 10F+2 0.10068 -0.16151 -0.42173 -0.05294 -0.05155
198 10F-2 -0.17438 -0.23523 -0.16151 0.11268 0.05294
199 10F+3 0.00000 -0.08964 -0.15526 0.01533 -0.02655
200 10F-3 -0.20900 -0.13875 0.08011 0.05194 0.02999
201 6 H 1S 0.16972 0.00000 0.01366 0.00000 0.03723
202 2S -0.75712 0.00000 0.35750 0.00000 -0.15366
203 3S -1.53695 0.00000 0.62441 0.00000 -0.83066
204 4S -0.22564 0.00000 0.26133 0.00000 -0.06955
205 5PX 0.00000 -0.01269 0.00000 -0.06418 0.00000
206 5PY -0.22937 0.00000 0.06506 0.00000 -0.09094
207 5PZ 0.08565 0.00000 0.34076 0.00000 0.19513
208 6PX 0.00000 -0.07616 0.00000 0.12238 0.00000
209 6PY -0.25769 0.00000 0.33264 0.00000 0.05087
210 6PZ -0.29327 0.00000 -0.47348 0.00000 -0.54517
211 7PX 0.00000 -0.87666 0.00000 0.30182 0.00000
212 7PY -0.91792 0.00000 0.71296 0.00000 -0.19440
213 7PZ -0.32224 0.00000 0.04671 0.00000 -0.51109
214 8D 0 -0.15353 0.00000 0.22080 0.00000 -0.11833
215 8D+1 0.00000 0.25791 0.00000 0.50300 0.00000
216 8D-1 0.23758 0.00000 -0.16490 0.00000 0.09733
217 8D+2 -0.13643 0.00000 -0.02378 0.00000 0.11402
218 8D-2 0.00000 0.26449 0.00000 -0.33198 0.00000
219 9D 0 0.20459 0.00000 -0.40130 0.00000 -0.06476
220 9D+1 0.00000 -0.66318 0.00000 -0.30296 0.00000
221 9D-1 -0.45919 0.00000 0.20578 0.00000 -0.22959
222 9D+2 0.45220 0.00000 -0.30586 0.00000 -0.12063
223 9D-2 0.00000 -0.50514 0.00000 0.36079 0.00000
224 10F 0 0.13200 0.00000 -0.17357 0.00000 -0.09857
225 10F+1 0.00000 -0.18744 0.00000 -0.00186 0.00000
226 10F-1 0.00886 0.00000 -0.03613 0.00000 0.06302
227 10F+2 0.20136 0.00000 -0.14198 0.00000 -0.14325
228 10F-2 0.00000 -0.51498 0.00000 0.02099 0.00000
229 10F+3 0.00000 0.17928 0.00000 -0.03066 0.00000
230 10F-3 0.20900 0.00000 -0.16021 0.00000 -0.05997
231 7 H 1S 0.16972 0.01183 -0.00683 -0.03224 -0.01862
232 2S -0.75712 0.30960 -0.17875 0.13308 0.07683
233 3S -1.53695 0.54075 -0.31220 0.71938 0.41533
234 4S -0.22564 0.22632 -0.13066 0.06023 0.03478
235 5PX -0.19864 0.04563 -0.03367 0.05216 0.06717
236 5PY 0.11468 -0.03367 0.00675 -0.06717 0.02540
237 5PZ 0.08565 0.29511 -0.17038 -0.16899 -0.09756
238 6PX -0.22317 0.23044 -0.17701 -0.00755 -0.07502
239 6PY 0.12885 -0.17701 0.02604 0.07502 -0.07907
240 6PZ -0.29327 -0.41004 0.23674 0.47213 0.27259
241 7PX -0.79494 0.31555 -0.68832 0.22126 -0.04651
242 7PY 0.45896 -0.68832 -0.47925 0.04651 -0.27497
243 7PZ -0.32224 0.04045 -0.02336 0.44262 0.25554
244 8D 0 -0.15353 0.19122 -0.11040 0.10248 0.05917
245 8D+1 0.20575 -0.05920 0.18308 0.05275 -0.25995
246 8D-1 -0.11879 0.18308 0.15220 0.25995 -0.35292
247 8D+2 0.06822 0.12483 0.19243 -0.09438 0.27749
248 8D-2 -0.11816 0.04829 0.12483 -0.16851 0.09438
249 9D 0 0.20459 -0.34754 0.20065 0.05609 0.03238
250 9D+1 -0.39767 -0.01146 -0.37627 0.09645 0.23060
251 9D-1 0.22959 -0.37627 -0.44594 -0.23060 0.16982
252 9D+2 -0.22610 -0.08629 -0.45532 0.10399 -0.30075
253 9D-2 0.39162 -0.35568 -0.08629 0.18067 -0.10399
254 10F 0 0.13200 -0.15032 0.08678 0.08536 0.04928
255 10F+1 0.00767 -0.07396 -0.06552 -0.04773 -0.02649
256 10F-1 -0.00443 -0.06552 -0.14961 0.02649 0.01715
257 10F+2 -0.10068 -0.16151 -0.42173 -0.05294 -0.05155
258 10F-2 0.17438 -0.23523 -0.16151 0.11268 0.05294
259 10F+3 0.00000 -0.08964 -0.15526 0.01533 -0.02655
260 10F-3 0.20900 -0.13875 0.08011 0.05194 0.02999
261 8 H 1S 0.16972 -0.01183 -0.00683 0.03224 -0.01862
262 2S -0.75712 -0.30960 -0.17875 -0.13308 0.07683
263 3S -1.53695 -0.54075 -0.31220 -0.71938 0.41533
264 4S -0.22564 -0.22632 -0.13066 -0.06023 0.03478
265 5PX 0.19864 0.04563 0.03367 0.05216 -0.06717
266 5PY 0.11468 0.03367 0.00675 0.06717 0.02540
267 5PZ 0.08565 -0.29511 -0.17038 0.16899 -0.09756
268 6PX 0.22317 0.23044 0.17701 -0.00755 0.07502
269 6PY 0.12885 0.17701 0.02604 -0.07502 -0.07907
270 6PZ -0.29327 0.41004 0.23674 -0.47213 0.27259
271 7PX 0.79494 0.31555 0.68832 0.22126 0.04651
272 7PY 0.45896 0.68832 -0.47925 -0.04651 -0.27497
273 7PZ -0.32224 -0.04045 -0.02336 -0.44262 0.25554
274 8D 0 -0.15353 -0.19122 -0.11040 -0.10248 0.05917
275 8D+1 -0.20575 -0.05920 -0.18308 0.05275 0.25995
276 8D-1 -0.11879 -0.18308 0.15220 -0.25995 -0.35292
277 8D+2 0.06822 -0.12483 0.19243 0.09438 0.27749
278 8D-2 0.11816 0.04829 -0.12483 -0.16851 -0.09438
279 9D 0 0.20459 0.34754 0.20065 -0.05609 0.03238
280 9D+1 0.39767 -0.01146 0.37627 0.09645 -0.23060
281 9D-1 0.22959 0.37627 -0.44594 0.23060 0.16982
282 9D+2 -0.22610 0.08629 -0.45532 -0.10399 -0.30075
283 9D-2 -0.39162 -0.35568 0.08629 0.18067 0.10399
284 10F 0 0.13200 0.15032 0.08678 -0.08536 0.04928
285 10F+1 -0.00767 -0.07396 0.06552 -0.04773 0.02649
286 10F-1 -0.00443 0.06552 -0.14961 -0.02649 0.01715
287 10F+2 -0.10068 0.16151 -0.42173 0.05294 -0.05155
288 10F-2 -0.17438 -0.23523 0.16151 0.11268 -0.05294
289 10F+3 0.00000 -0.08964 0.15526 0.01533 0.02655
290 10F-3 0.20900 0.13875 0.08011 -0.05194 0.02999
236 237 238 239 240
(A1G)--V (A2U)--V (A1U)--V (EG)--V (EG)--V
Eigenvalues -- 8.67551 8.68728 8.72194 8.81959 8.81959
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2 2S -0.05433 -0.16235 0.00000 0.00000 0.00000
3 3S -1.44496 -3.24745 0.00000 0.00000 0.00000
4 4S 5.82612 11.00739 0.00000 0.00000 0.00000
5 5S 1.75580 1.77501 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.00000 0.00000 0.21852
7 6PY 0.00000 0.00000 0.00000 0.21852 0.00000
8 6PZ -0.19529 -0.04898 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 0.00000 0.00000 -0.50452
10 7PY 0.00000 0.00000 0.00000 -0.50452 0.00000
11 7PZ 0.25683 -0.03020 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 0.00000 0.00000 -0.56322
13 8PY 0.00000 0.00000 0.00000 -0.56322 0.00000
14 8PZ 1.30474 0.69507 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 0.00000 0.00000 -0.02053
16 9PY 0.00000 0.00000 0.00000 -0.02053 0.00000
17 9PZ 0.09632 0.18039 0.00000 0.00000 0.00000
18 10D 0 0.41443 0.24604 0.00000 0.00000 0.00000
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.01453
20 10D-1 0.00000 0.00000 0.00000 0.01453 0.00000
21 10D+2 0.00000 0.00000 0.00000 -0.30158 0.00000
22 10D-2 0.00000 0.00000 0.00000 0.00000 -0.30158
23 11D 0 -0.83245 -0.10146 0.00000 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.00000 -0.02800
25 11D-1 0.00000 0.00000 0.00000 -0.02800 0.00000
26 11D+2 0.00000 0.00000 0.00000 1.11555 0.00000
27 11D-2 0.00000 0.00000 0.00000 0.00000 1.11555
28 12D 0 -0.10010 0.11883 0.00000 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00000 1.81599
30 12D-1 0.00000 0.00000 0.00000 1.81599 0.00000
31 12D+2 0.00000 0.00000 0.00000 0.55358 0.00000
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.55358
33 13F 0 -0.15528 -0.18186 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 0.00000 0.00000 -0.06610
35 13F-1 0.00000 0.00000 0.00000 -0.06610 0.00000
36 13F+2 0.00000 0.00000 0.00000 -0.04528 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 -0.04528
38 13F+3 0.00000 0.00000 -0.12983 0.00000 0.00000
39 13F-3 0.04795 0.04303 0.00000 0.00000 0.00000
40 14F 0 -0.03858 -0.64107 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.19010
42 14F-1 0.00000 0.00000 0.00000 0.19010 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.42160 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.42160
45 14F+3 0.00000 0.00000 0.82650 0.00000 0.00000
46 14F-3 -1.11737 -0.89630 0.00000 0.00000 0.00000
47 15G 0 0.00981 0.15893 0.00000 0.00000 0.00000
48 15G+1 0.00000 0.00000 0.00000 0.00000 0.38990
49 15G-1 0.00000 0.00000 0.00000 0.38990 0.00000
50 15G+2 0.00000 0.00000 0.00000 -0.09550 0.00000
51 15G-2 0.00000 0.00000 0.00000 0.00000 -0.09550
52 15G+3 0.00000 0.00000 0.13760 0.00000 0.00000
53 15G-3 -0.14527 -0.21674 0.00000 0.00000 0.00000
54 15G+4 0.00000 0.00000 0.00000 0.13911 0.00000
55 15G-4 0.00000 0.00000 0.00000 0.00000 -0.13911
56 2 C 1S 0.00272 -0.05205 0.00000 0.00000 0.00000
57 2S -0.05433 0.16235 0.00000 0.00000 0.00000
58 3S -1.44496 3.24745 0.00000 0.00000 0.00000
59 4S 5.82612 -11.00739 0.00000 0.00000 0.00000
60 5S 1.75580 -1.77501 0.00000 0.00000 0.00000
61 6PX 0.00000 0.00000 0.00000 0.00000 -0.21852
62 6PY 0.00000 0.00000 0.00000 -0.21852 0.00000
63 6PZ 0.19529 -0.04898 0.00000 0.00000 0.00000
64 7PX 0.00000 0.00000 0.00000 0.00000 0.50452
65 7PY 0.00000 0.00000 0.00000 0.50452 0.00000
66 7PZ -0.25683 -0.03020 0.00000 0.00000 0.00000
67 8PX 0.00000 0.00000 0.00000 0.00000 0.56322
68 8PY 0.00000 0.00000 0.00000 0.56322 0.00000
69 8PZ -1.30474 0.69507 0.00000 0.00000 0.00000
70 9PX 0.00000 0.00000 0.00000 0.00000 0.02053
71 9PY 0.00000 0.00000 0.00000 0.02053 0.00000
72 9PZ -0.09632 0.18039 0.00000 0.00000 0.00000
73 10D 0 0.41443 -0.24604 0.00000 0.00000 0.00000
74 10D+1 0.00000 0.00000 0.00000 0.00000 0.01453
75 10D-1 0.00000 0.00000 0.00000 0.01453 0.00000
76 10D+2 0.00000 0.00000 0.00000 -0.30158 0.00000
77 10D-2 0.00000 0.00000 0.00000 0.00000 -0.30158
78 11D 0 -0.83245 0.10146 0.00000 0.00000 0.00000
79 11D+1 0.00000 0.00000 0.00000 0.00000 -0.02800
80 11D-1 0.00000 0.00000 0.00000 -0.02800 0.00000
81 11D+2 0.00000 0.00000 0.00000 1.11555 0.00000
82 11D-2 0.00000 0.00000 0.00000 0.00000 1.11555
83 12D 0 -0.10010 -0.11883 0.00000 0.00000 0.00000
84 12D+1 0.00000 0.00000 0.00000 0.00000 1.81599
85 12D-1 0.00000 0.00000 0.00000 1.81599 0.00000
86 12D+2 0.00000 0.00000 0.00000 0.55358 0.00000
87 12D-2 0.00000 0.00000 0.00000 0.00000 0.55358
88 13F 0 0.15528 -0.18186 0.00000 0.00000 0.00000
89 13F+1 0.00000 0.00000 0.00000 0.00000 0.06610
90 13F-1 0.00000 0.00000 0.00000 0.06610 0.00000
91 13F+2 0.00000 0.00000 0.00000 0.04528 0.00000
92 13F-2 0.00000 0.00000 0.00000 0.00000 0.04528
93 13F+3 0.00000 0.00000 -0.12983 0.00000 0.00000
94 13F-3 -0.04795 0.04303 0.00000 0.00000 0.00000
95 14F 0 0.03858 -0.64107 0.00000 0.00000 0.00000
96 14F+1 0.00000 0.00000 0.00000 0.00000 -0.19010
97 14F-1 0.00000 0.00000 0.00000 -0.19010 0.00000
98 14F+2 0.00000 0.00000 0.00000 -0.42160 0.00000
99 14F-2 0.00000 0.00000 0.00000 0.00000 -0.42160
100 14F+3 0.00000 0.00000 0.82650 0.00000 0.00000
101 14F-3 1.11737 -0.89630 0.00000 0.00000 0.00000
102 15G 0 0.00981 -0.15893 0.00000 0.00000 0.00000
103 15G+1 0.00000 0.00000 0.00000 0.00000 0.38990
104 15G-1 0.00000 0.00000 0.00000 0.38990 0.00000
105 15G+2 0.00000 0.00000 0.00000 -0.09550 0.00000
106 15G-2 0.00000 0.00000 0.00000 0.00000 -0.09550
107 15G+3 0.00000 0.00000 -0.13760 0.00000 0.00000
108 15G-3 -0.14527 0.21674 0.00000 0.00000 0.00000
109 15G+4 0.00000 0.00000 0.00000 0.13911 0.00000
110 15G-4 0.00000 0.00000 0.00000 0.00000 -0.13911
111 3 H 1S 0.18606 0.31181 0.00000 -0.19877 0.00000
112 2S -0.93736 -1.28292 0.00000 0.85539 0.00000
113 3S -1.82218 -2.27628 0.00000 -0.26696 0.00000
114 4S -0.22415 -0.24693 0.00000 0.05119 0.00000
115 5PX 0.00000 0.00000 -0.31393 0.00000 0.14413
116 5PY 0.11058 0.08871 0.00000 -0.08305 0.00000
117 5PZ -0.12378 0.04323 0.00000 0.10029 0.00000
118 6PX 0.00000 0.00000 0.60649 0.00000 -0.36552
119 6PY 0.26497 0.38867 0.00000 -0.31104 0.00000
120 6PZ 0.42225 0.20898 0.00000 -0.38198 0.00000
121 7PX 0.00000 0.00000 0.07322 0.00000 -0.71276
122 7PY 0.73527 1.06761 0.00000 0.05606 0.00000
123 7PZ 0.32674 0.33997 0.00000 -0.61656 0.00000
124 8D 0 0.33795 0.07966 0.00000 -0.10556 0.00000
125 8D+1 0.00000 0.00000 0.47040 0.00000 0.46276
126 8D-1 0.00239 0.03407 0.00000 -0.11295 0.00000
127 8D+2 -0.28927 -0.36607 0.00000 0.15984 0.00000
128 8D-2 0.00000 0.00000 -0.07131 0.00000 -0.41794
129 9D 0 -0.36354 -0.06507 0.00000 0.02066 0.00000
130 9D+1 0.00000 0.00000 -0.45854 0.00000 -0.26086
131 9D-1 -0.09522 -0.04104 0.00000 0.39614 0.00000
132 9D+2 0.33483 0.31838 0.00000 -0.13371 0.00000
133 9D-2 0.00000 0.00000 -0.13171 0.00000 0.63487
134 10F 0 0.13490 0.12658 0.00000 0.14145 0.00000
135 10F+1 0.00000 0.00000 0.08382 0.00000 -0.06630
136 10F-1 0.04578 -0.01536 0.00000 0.05526 0.00000
137 10F+2 0.03774 0.13935 0.00000 0.05189 0.00000
138 10F-2 0.00000 0.00000 0.08130 0.00000 -0.00923
139 10F+3 0.00000 0.00000 0.01510 0.00000 0.06159
140 10F-3 -0.04551 0.08944 0.00000 -0.11770 0.00000
141 4 H 1S 0.18606 0.31181 0.00000 0.09938 0.17214
142 2S -0.93736 -1.28292 0.00000 -0.42770 -0.74079
143 3S -1.82218 -2.27628 0.00000 0.13348 0.23120
144 4S -0.22415 -0.24693 0.00000 -0.02560 -0.04433
145 5PX -0.09577 -0.07682 0.15697 -0.09837 -0.02626
146 5PY -0.05529 -0.04435 -0.27187 0.08733 -0.09837
147 5PZ -0.12378 0.04323 0.00000 -0.05015 -0.08686
148 6PX -0.22947 -0.33660 -0.30325 0.02359 -0.32466
149 6PY -0.13249 -0.19434 0.52524 -0.35190 0.02359
150 6PZ 0.42225 0.20898 0.00000 0.19099 0.33080
151 7PX -0.63676 -0.92457 -0.03661 0.33291 -0.13615
152 7PY -0.36763 -0.53380 0.06341 -0.52056 0.33291
153 7PZ 0.32674 0.33997 0.00000 0.30828 0.53395
154 8D 0 0.33795 0.07966 0.00000 0.05278 0.09141
155 8D+1 -0.00207 -0.02950 -0.23520 -0.24929 0.03098
156 8D-1 -0.00119 -0.01703 0.40738 0.31884 -0.24929
157 8D+2 0.14463 0.18304 -0.06176 -0.27350 0.25018
158 8D-2 0.25051 0.31703 0.03565 0.25018 0.01539
159 9D 0 -0.36354 -0.06507 0.00000 -0.01033 -0.01790
160 9D+1 0.08246 0.03554 0.22927 0.28449 0.23189
161 9D-1 0.04761 0.02052 -0.39711 -0.09661 0.28449
162 9D+2 -0.16741 -0.15919 -0.11407 0.44273 -0.33281
163 9D-2 -0.28997 -0.27573 0.06586 -0.33281 0.05844
164 10F 0 0.13490 0.12658 0.00000 -0.07073 -0.12250
165 10F+1 -0.03964 0.01330 -0.04191 0.05263 0.02487
166 10F-1 -0.02289 0.00768 0.07259 -0.03591 0.05263
167 10F+2 -0.01887 -0.06967 0.07041 0.00605 0.02647
168 10F-2 -0.03268 -0.12068 -0.04065 0.02647 0.03661
169 10F+3 0.00000 0.00000 0.01510 0.05334 -0.03080
170 10F-3 -0.04551 0.08944 0.00000 0.05885 0.10193
171 5 H 1S 0.18606 0.31181 0.00000 0.09938 -0.17214
172 2S -0.93736 -1.28292 0.00000 -0.42770 0.74079
173 3S -1.82218 -2.27628 0.00000 0.13348 -0.23120
174 4S -0.22415 -0.24693 0.00000 -0.02560 0.04433
175 5PX 0.09577 0.07682 0.15697 0.09837 -0.02626
176 5PY -0.05529 -0.04435 0.27187 0.08733 0.09837
177 5PZ -0.12378 0.04323 0.00000 -0.05015 0.08686
178 6PX 0.22947 0.33660 -0.30325 -0.02359 -0.32466
179 6PY -0.13249 -0.19434 -0.52524 -0.35190 -0.02359
180 6PZ 0.42225 0.20898 0.00000 0.19099 -0.33080
181 7PX 0.63676 0.92457 -0.03661 -0.33291 -0.13615
182 7PY -0.36763 -0.53380 -0.06341 -0.52056 -0.33291
183 7PZ 0.32674 0.33997 0.00000 0.30828 -0.53395
184 8D 0 0.33795 0.07966 0.00000 0.05278 -0.09141
185 8D+1 0.00207 0.02950 -0.23520 0.24929 0.03098
186 8D-1 -0.00119 -0.01703 -0.40738 0.31884 0.24929
187 8D+2 0.14463 0.18304 0.06176 -0.27350 -0.25018
188 8D-2 -0.25051 -0.31703 0.03565 -0.25018 0.01539
189 9D 0 -0.36354 -0.06507 0.00000 -0.01033 0.01790
190 9D+1 -0.08246 -0.03554 0.22927 -0.28449 0.23189
191 9D-1 0.04761 0.02052 0.39711 -0.09661 -0.28449
192 9D+2 -0.16741 -0.15919 0.11407 0.44273 0.33281
193 9D-2 0.28997 0.27573 0.06586 0.33281 0.05844
194 10F 0 0.13490 0.12658 0.00000 -0.07073 0.12250
195 10F+1 0.03964 -0.01330 -0.04191 -0.05263 0.02487
196 10F-1 -0.02289 0.00768 -0.07259 -0.03591 -0.05263
197 10F+2 -0.01887 -0.06967 -0.07041 0.00605 -0.02647
198 10F-2 0.03268 0.12068 -0.04065 -0.02647 0.03661
199 10F+3 0.00000 0.00000 0.01510 -0.05334 -0.03080
200 10F-3 -0.04551 0.08944 0.00000 0.05885 -0.10193
201 6 H 1S 0.18606 -0.31181 0.00000 -0.19877 0.00000
202 2S -0.93736 1.28292 0.00000 0.85539 0.00000
203 3S -1.82218 2.27628 0.00000 -0.26696 0.00000
204 4S -0.22415 0.24693 0.00000 0.05119 0.00000
205 5PX 0.00000 0.00000 -0.31393 0.00000 -0.14413
206 5PY -0.11058 0.08871 0.00000 0.08305 0.00000
207 5PZ 0.12378 0.04323 0.00000 -0.10029 0.00000
208 6PX 0.00000 0.00000 0.60649 0.00000 0.36552
209 6PY -0.26497 0.38867 0.00000 0.31104 0.00000
210 6PZ -0.42225 0.20898 0.00000 0.38198 0.00000
211 7PX 0.00000 0.00000 0.07322 0.00000 0.71276
212 7PY -0.73527 1.06761 0.00000 -0.05606 0.00000
213 7PZ -0.32674 0.33997 0.00000 0.61656 0.00000
214 8D 0 0.33795 -0.07966 0.00000 -0.10556 0.00000
215 8D+1 0.00000 0.00000 -0.47040 0.00000 0.46276
216 8D-1 0.00239 -0.03407 0.00000 -0.11295 0.00000
217 8D+2 -0.28927 0.36607 0.00000 0.15984 0.00000
218 8D-2 0.00000 0.00000 0.07131 0.00000 -0.41794
219 9D 0 -0.36354 0.06507 0.00000 0.02066 0.00000
220 9D+1 0.00000 0.00000 0.45854 0.00000 -0.26086
221 9D-1 -0.09522 0.04104 0.00000 0.39614 0.00000
222 9D+2 0.33483 -0.31838 0.00000 -0.13371 0.00000
223 9D-2 0.00000 0.00000 0.13171 0.00000 0.63487
224 10F 0 -0.13490 0.12658 0.00000 -0.14145 0.00000
225 10F+1 0.00000 0.00000 0.08382 0.00000 0.06630
226 10F-1 -0.04578 -0.01536 0.00000 -0.05526 0.00000
227 10F+2 -0.03774 0.13935 0.00000 -0.05189 0.00000
228 10F-2 0.00000 0.00000 0.08130 0.00000 0.00923
229 10F+3 0.00000 0.00000 0.01510 0.00000 -0.06159
230 10F-3 0.04551 0.08944 0.00000 0.11770 0.00000
231 7 H 1S 0.18606 -0.31181 0.00000 0.09938 -0.17214
232 2S -0.93736 1.28292 0.00000 -0.42770 0.74079
233 3S -1.82218 2.27628 0.00000 0.13348 -0.23120
234 4S -0.22415 0.24693 0.00000 -0.02560 0.04433
235 5PX -0.09577 0.07682 0.15697 -0.09837 0.02626
236 5PY 0.05529 -0.04435 0.27187 -0.08733 -0.09837
237 5PZ 0.12378 0.04323 0.00000 0.05015 -0.08686
238 6PX -0.22947 0.33660 -0.30325 0.02359 0.32466
239 6PY 0.13249 -0.19434 -0.52524 0.35190 0.02359
240 6PZ -0.42225 0.20898 0.00000 -0.19099 0.33080
241 7PX -0.63676 0.92457 -0.03661 0.33291 0.13615
242 7PY 0.36763 -0.53380 -0.06341 0.52056 0.33291
243 7PZ -0.32674 0.33997 0.00000 -0.30828 0.53395
244 8D 0 0.33795 -0.07966 0.00000 0.05278 -0.09141
245 8D+1 0.00207 -0.02950 0.23520 0.24929 0.03098
246 8D-1 -0.00119 0.01703 0.40738 0.31884 0.24929
247 8D+2 0.14463 -0.18304 -0.06176 -0.27350 -0.25018
248 8D-2 -0.25051 0.31703 -0.03565 -0.25018 0.01539
249 9D 0 -0.36354 0.06507 0.00000 -0.01033 0.01790
250 9D+1 -0.08246 0.03554 -0.22927 -0.28449 0.23189
251 9D-1 0.04761 -0.02052 -0.39711 -0.09661 -0.28449
252 9D+2 -0.16741 0.15919 -0.11407 0.44273 0.33281
253 9D-2 0.28997 -0.27573 -0.06586 0.33281 0.05844
254 10F 0 -0.13490 0.12658 0.00000 0.07073 -0.12250
255 10F+1 -0.03964 -0.01330 -0.04191 0.05263 -0.02487
256 10F-1 0.02289 0.00768 -0.07259 0.03591 0.05263
257 10F+2 0.01887 -0.06967 -0.07041 -0.00605 0.02647
258 10F-2 -0.03268 0.12068 -0.04065 0.02647 -0.03661
259 10F+3 0.00000 0.00000 0.01510 0.05334 0.03080
260 10F-3 0.04551 0.08944 0.00000 -0.05885 0.10193
261 8 H 1S 0.18606 -0.31181 0.00000 0.09938 0.17214
262 2S -0.93736 1.28292 0.00000 -0.42770 -0.74079
263 3S -1.82218 2.27628 0.00000 0.13348 0.23120
264 4S -0.22415 0.24693 0.00000 -0.02560 -0.04433
265 5PX 0.09577 -0.07682 0.15697 0.09837 0.02626
266 5PY 0.05529 -0.04435 -0.27187 -0.08733 0.09837
267 5PZ 0.12378 0.04323 0.00000 0.05015 0.08686
268 6PX 0.22947 -0.33660 -0.30325 -0.02359 0.32466
269 6PY 0.13249 -0.19434 0.52524 0.35190 -0.02359
270 6PZ -0.42225 0.20898 0.00000 -0.19099 -0.33080
271 7PX 0.63676 -0.92457 -0.03661 -0.33291 0.13615
272 7PY 0.36763 -0.53380 0.06341 0.52056 -0.33291
273 7PZ -0.32674 0.33997 0.00000 -0.30828 -0.53395
274 8D 0 0.33795 -0.07966 0.00000 0.05278 0.09141
275 8D+1 -0.00207 0.02950 0.23520 -0.24929 0.03098
276 8D-1 -0.00119 0.01703 -0.40738 0.31884 -0.24929
277 8D+2 0.14463 -0.18304 0.06176 -0.27350 0.25018
278 8D-2 0.25051 -0.31703 -0.03565 0.25018 0.01539
279 9D 0 -0.36354 0.06507 0.00000 -0.01033 -0.01790
280 9D+1 0.08246 -0.03554 -0.22927 0.28449 0.23189
281 9D-1 0.04761 -0.02052 0.39711 -0.09661 0.28449
282 9D+2 -0.16741 0.15919 0.11407 0.44273 -0.33281
283 9D-2 -0.28997 0.27573 -0.06586 -0.33281 0.05844
284 10F 0 -0.13490 0.12658 0.00000 0.07073 0.12250
285 10F+1 0.03964 0.01330 -0.04191 -0.05263 -0.02487
286 10F-1 0.02289 0.00768 0.07259 0.03591 -0.05263
287 10F+2 0.01887 -0.06967 0.07041 -0.00605 -0.02647
288 10F-2 0.03268 -0.12068 -0.04065 -0.02647 -0.03661
289 10F+3 0.00000 0.00000 0.01510 -0.05334 0.03080
290 10F-3 0.04551 0.08944 0.00000 -0.05885 -0.10193
241 242 243 244 245
(A2U)--V (A2G)--V (EG)--V (EG)--V (EU)--V
Eigenvalues -- 8.83084 8.83213 8.86713 8.86713 8.99881
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2 2S -0.11869 0.00000 0.00000 0.00000 0.00000
3 3S -2.08309 0.00000 0.00000 0.00000 0.00000
4 4S 5.72234 0.00000 0.00000 0.00000 0.00000
5 5S 0.96324 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.04474 0.00000 0.00000
7 6PY 0.00000 0.00000 0.00000 0.04474 0.08501
8 6PZ 0.18269 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 -0.32620 0.00000 0.00000
10 7PY 0.00000 0.00000 0.00000 -0.32620 -0.56206
11 7PZ -0.87221 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 2.72126 0.00000 0.00000
13 8PY 0.00000 0.00000 0.00000 2.72126 0.76263
14 8PZ 0.87254 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 0.43527 0.00000 0.00000
16 9PY 0.00000 0.00000 0.00000 0.43527 -0.10372
17 9PZ 0.19338 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.20208 0.00000 0.00000 0.00000 0.00000
19 10D+1 0.00000 0.00000 0.04140 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.04140 0.05233
21 10D+2 0.00000 0.00000 0.00000 0.27141 0.04972
22 10D-2 0.00000 0.00000 0.27141 0.00000 0.00000
23 11D 0 -0.69214 0.00000 0.00000 0.00000 0.00000
24 11D+1 0.00000 0.00000 -0.16462 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 -0.16462 -0.40952
26 11D+2 0.00000 0.00000 0.00000 -1.33649 0.42060
27 11D-2 0.00000 0.00000 -1.33649 0.00000 0.00000
28 12D 0 -0.75330 0.00000 0.00000 0.00000 0.00000
29 12D+1 0.00000 0.00000 -0.43879 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 -0.43879 0.87036
31 12D+2 0.00000 0.00000 0.00000 -1.57699 0.14156
32 12D-2 0.00000 0.00000 -1.57699 0.00000 0.00000
33 13F 0 0.06867 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 -0.00206 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.00000 -0.00206 0.37866
36 13F+2 0.00000 0.00000 0.00000 0.00076 -0.24394
37 13F-2 0.00000 0.00000 0.00076 0.00000 0.00000
38 13F+3 0.00000 -0.55456 0.00000 0.00000 0.00000
39 13F-3 -0.00348 0.00000 0.00000 0.00000 0.00000
40 14F 0 -0.95398 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.62334 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.62334 -0.45693
43 14F+2 0.00000 0.00000 0.00000 -0.50232 1.03663
44 14F-2 0.00000 0.00000 -0.50232 0.00000 0.00000
45 14F+3 0.00000 1.27241 0.00000 0.00000 0.00000
46 14F-3 -0.25754 0.00000 0.00000 0.00000 0.00000
47 15G 0 0.11467 0.00000 0.00000 0.00000 0.00000
48 15G+1 0.00000 0.00000 -0.07703 0.00000 0.00000
49 15G-1 0.00000 0.00000 0.00000 -0.07703 0.21638
50 15G+2 0.00000 0.00000 0.00000 0.02134 -0.01686
51 15G-2 0.00000 0.00000 0.02134 0.00000 0.00000
52 15G+3 0.00000 0.04050 0.00000 0.00000 0.00000
53 15G-3 -0.04525 0.00000 0.00000 0.00000 0.00000
54 15G+4 0.00000 0.00000 0.00000 0.04629 0.04119
55 15G-4 0.00000 0.00000 -0.04629 0.00000 0.00000
56 2 C 1S -0.03923 0.00000 0.00000 0.00000 0.00000
57 2S 0.11869 0.00000 0.00000 0.00000 0.00000
58 3S 2.08309 0.00000 0.00000 0.00000 0.00000
59 4S -5.72234 0.00000 0.00000 0.00000 0.00000
60 5S -0.96324 0.00000 0.00000 0.00000 0.00000
61 6PX 0.00000 0.00000 -0.04474 0.00000 0.00000
62 6PY 0.00000 0.00000 0.00000 -0.04474 0.08501
63 6PZ 0.18269 0.00000 0.00000 0.00000 0.00000
64 7PX 0.00000 0.00000 0.32620 0.00000 0.00000
65 7PY 0.00000 0.00000 0.00000 0.32620 -0.56206
66 7PZ -0.87221 0.00000 0.00000 0.00000 0.00000
67 8PX 0.00000 0.00000 -2.72126 0.00000 0.00000
68 8PY 0.00000 0.00000 0.00000 -2.72126 0.76263
69 8PZ 0.87254 0.00000 0.00000 0.00000 0.00000
70 9PX 0.00000 0.00000 -0.43527 0.00000 0.00000
71 9PY 0.00000 0.00000 0.00000 -0.43527 -0.10372
72 9PZ 0.19338 0.00000 0.00000 0.00000 0.00000
73 10D 0 -0.20208 0.00000 0.00000 0.00000 0.00000
74 10D+1 0.00000 0.00000 0.04140 0.00000 0.00000
75 10D-1 0.00000 0.00000 0.00000 0.04140 -0.05233
76 10D+2 0.00000 0.00000 0.00000 0.27141 -0.04972
77 10D-2 0.00000 0.00000 0.27141 0.00000 0.00000
78 11D 0 0.69214 0.00000 0.00000 0.00000 0.00000
79 11D+1 0.00000 0.00000 -0.16462 0.00000 0.00000
80 11D-1 0.00000 0.00000 0.00000 -0.16462 0.40952
81 11D+2 0.00000 0.00000 0.00000 -1.33649 -0.42060
82 11D-2 0.00000 0.00000 -1.33649 0.00000 0.00000
83 12D 0 0.75330 0.00000 0.00000 0.00000 0.00000
84 12D+1 0.00000 0.00000 -0.43879 0.00000 0.00000
85 12D-1 0.00000 0.00000 0.00000 -0.43879 -0.87036
86 12D+2 0.00000 0.00000 0.00000 -1.57699 -0.14156
87 12D-2 0.00000 0.00000 -1.57699 0.00000 0.00000
88 13F 0 0.06867 0.00000 0.00000 0.00000 0.00000
89 13F+1 0.00000 0.00000 0.00206 0.00000 0.00000
90 13F-1 0.00000 0.00000 0.00000 0.00206 0.37866
91 13F+2 0.00000 0.00000 0.00000 -0.00076 -0.24394
92 13F-2 0.00000 0.00000 -0.00076 0.00000 0.00000
93 13F+3 0.00000 0.55456 0.00000 0.00000 0.00000
94 13F-3 -0.00348 0.00000 0.00000 0.00000 0.00000
95 14F 0 -0.95398 0.00000 0.00000 0.00000 0.00000
96 14F+1 0.00000 0.00000 -0.62334 0.00000 0.00000
97 14F-1 0.00000 0.00000 0.00000 -0.62334 -0.45693
98 14F+2 0.00000 0.00000 0.00000 0.50232 1.03663
99 14F-2 0.00000 0.00000 0.50232 0.00000 0.00000
100 14F+3 0.00000 -1.27241 0.00000 0.00000 0.00000
101 14F-3 -0.25754 0.00000 0.00000 0.00000 0.00000
102 15G 0 -0.11467 0.00000 0.00000 0.00000 0.00000
103 15G+1 0.00000 0.00000 -0.07703 0.00000 0.00000
104 15G-1 0.00000 0.00000 0.00000 -0.07703 -0.21638
105 15G+2 0.00000 0.00000 0.00000 0.02134 0.01686
106 15G-2 0.00000 0.00000 0.02134 0.00000 0.00000
107 15G+3 0.00000 0.04050 0.00000 0.00000 0.00000
108 15G-3 0.04525 0.00000 0.00000 0.00000 0.00000
109 15G+4 0.00000 0.00000 0.00000 0.04629 -0.04119
110 15G-4 0.00000 0.00000 -0.04629 0.00000 0.00000
111 3 H 1S 0.18947 0.00000 0.00000 0.26734 0.07207
112 2S -0.84768 0.00000 0.00000 -0.92100 0.21588
113 3S -1.44968 0.00000 0.00000 -2.52587 0.07898
114 4S -0.13831 0.00000 0.00000 -0.13726 0.13025
115 5PX 0.00000 -0.30051 -0.29933 0.00000 0.00000
116 5PY 0.05144 0.00000 0.00000 -0.18049 0.09987
117 5PZ -0.05119 0.00000 0.00000 0.07235 -0.27541
118 6PX 0.00000 0.69157 0.53123 0.00000 0.00000
119 6PY 0.19413 0.00000 0.00000 0.65349 -0.50760
120 6PZ 0.19789 0.00000 0.00000 -0.03394 0.50141
121 7PX 0.00000 -0.03778 0.82722 0.00000 0.00000
122 7PY 0.42206 0.00000 0.00000 0.60931 -0.03785
123 7PZ 0.44997 0.00000 0.00000 0.70964 -0.61484
124 8D 0 -0.21528 0.00000 0.00000 0.27656 -0.50208
125 8D+1 0.00000 0.34408 0.46977 0.00000 0.00000
126 8D-1 0.32226 0.00000 0.00000 0.01319 0.01262
127 8D+2 0.18121 0.00000 0.00000 -0.28049 0.20223
128 8D-2 0.00000 -0.20372 0.24820 0.00000 0.00000
129 9D 0 0.15550 0.00000 0.00000 -0.29770 0.27901
130 9D+1 0.00000 -0.39404 -0.57571 0.00000 0.00000
131 9D-1 -0.41415 0.00000 0.00000 -0.02910 0.17013
132 9D+2 -0.39087 0.00000 0.00000 0.35856 -0.34808
133 9D-2 0.00000 0.12474 -0.61237 0.00000 0.00000
134 10F 0 -0.06503 0.00000 0.00000 0.13176 0.10761
135 10F+1 0.00000 0.13195 -0.00733 0.00000 0.00000
136 10F-1 0.05997 0.00000 0.00000 0.08135 -0.09198
137 10F+2 -0.03970 0.00000 0.00000 0.00771 0.16535
138 10F-2 0.00000 -0.01267 0.25272 0.00000 0.00000
139 10F+3 0.00000 0.24292 -0.12727 0.00000 0.00000
140 10F-3 0.34958 0.00000 0.00000 -0.06823 0.03015
141 4 H 1S 0.18947 0.00000 -0.23152 -0.13367 -0.03604
142 2S -0.84768 0.00000 0.79761 0.46050 -0.10794
143 3S -1.44968 0.00000 2.18747 1.26293 -0.03949
144 4S -0.13831 0.00000 0.11887 0.06863 -0.06512
145 5PX -0.04455 0.15025 -0.21020 0.05146 -0.05567
146 5PY -0.02572 -0.26025 0.05146 -0.26962 0.19630
147 5PZ -0.05119 0.00000 -0.06266 -0.03618 0.13771
148 6PX -0.16812 -0.34578 0.62293 0.05294 -0.00735
149 6PY -0.09706 0.59892 0.05294 0.56180 -0.49487
150 6PZ 0.19789 0.00000 0.02939 0.01697 -0.25070
151 7PX -0.36551 0.01889 0.66379 -0.09436 0.14391
152 7PY -0.21103 -0.03272 -0.09436 0.77274 -0.28712
153 7PZ 0.44997 0.00000 -0.61457 -0.35482 0.30742
154 8D 0 -0.21528 0.00000 -0.23951 -0.13828 0.25104
155 8D+1 -0.27908 -0.17204 0.12734 -0.19771 -0.08780
156 8D-1 -0.16113 0.29798 -0.19771 0.35563 0.16469
157 8D+2 -0.09061 -0.17643 -0.22893 0.11603 -0.16957
158 8D-2 -0.15694 0.10186 -0.14832 -0.22893 0.21466
159 9D 0 0.15550 0.00000 0.25782 0.14885 -0.13951
160 9D+1 0.35866 0.19702 -0.16576 0.23669 0.16969
161 9D-1 0.20707 -0.34125 0.23669 -0.43906 -0.12379
162 9D+2 0.19544 0.10803 0.42043 -0.36964 0.25517
163 9D-2 0.33851 -0.06237 0.11583 0.42043 -0.34829
164 10F 0 -0.06503 0.00000 -0.11411 -0.06588 -0.05380
165 10F+1 -0.05194 -0.06597 0.05918 0.03840 -0.08164
166 10F-1 -0.02999 0.11427 0.03840 0.01484 0.04943
167 10F+2 0.01985 -0.01097 -0.10609 0.19147 0.08021
168 10F-2 0.03438 0.00634 0.06896 -0.10609 0.04916
169 10F+3 0.00000 0.24292 0.06364 -0.11022 -0.02636
170 10F-3 0.34958 0.00000 0.05909 0.03411 -0.01507
171 5 H 1S 0.18947 0.00000 0.23152 -0.13367 -0.03604
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264 4S 0.13831 0.00000 0.11887 0.06863 0.06512
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266 5PY -0.02572 0.26025 -0.05146 0.26962 0.19630
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269 6PY -0.09706 -0.59892 -0.05294 -0.56180 -0.49487
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276 8D-1 0.16113 0.29798 -0.19771 0.35563 -0.16469
277 8D+2 0.09061 -0.17643 -0.22893 0.11603 0.16957
278 8D-2 0.15694 0.10186 -0.14832 -0.22893 -0.21466
279 9D 0 -0.15550 0.00000 0.25782 0.14885 0.13951
280 9D+1 -0.35866 0.19702 -0.16576 0.23669 -0.16969
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282 9D+2 -0.19544 0.10803 0.42043 -0.36964 -0.25517
283 9D-2 -0.33851 -0.06237 0.11583 0.42043 0.34829
284 10F 0 -0.06503 0.00000 0.11411 0.06588 -0.05380
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286 10F-1 -0.02999 -0.11427 -0.03840 -0.01484 0.04943
287 10F+2 0.01985 0.01097 0.10609 -0.19147 0.08021
288 10F-2 0.03438 -0.00634 -0.06896 0.10609 0.04916
289 10F+3 0.00000 -0.24292 -0.06364 0.11022 -0.02636
290 10F-3 0.34958 0.00000 -0.05909 -0.03411 -0.01507
246 247 248 249 250
(EU)--V (A1G)--V (EU)--V (EU)--V (EG)--V
Eigenvalues -- 8.99881 9.00769 9.05060 9.05060 9.08743
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55 15G-4 -0.04119 0.00000 0.00000 -0.10697 0.38095
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173 3S 0.06840 -1.52477 2.42277 -4.19636 1.33879
174 4S 0.11280 -0.11089 0.21647 -0.37494 0.18749
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189 9D 0 0.24163 -0.11398 -0.14655 0.25384 0.07793
190 9D+1 0.07216 -0.39962 -0.00333 -0.17680 0.50706
191 9D-1 -0.16969 0.23072 -0.18064 -0.00333 -0.42015
192 9D+2 0.34829 0.16738 -0.01827 -0.37212 0.06971
193 9D-2 -0.14700 -0.28990 -0.37212 0.41142 -0.00137
194 10F 0 0.09319 -0.01234 -0.03396 0.05881 -0.00878
195 10F+1 -0.04484 0.09533 -0.05435 0.05188 -0.11692
196 10F-1 0.08164 -0.05504 -0.01088 -0.05435 0.14364
197 10F+2 -0.04916 0.03067 0.04931 -0.01535 0.09238
198 10F-2 0.13697 -0.05312 -0.01535 0.06704 0.09019
199 10F+3 0.01522 0.00000 -0.04009 -0.02315 -0.01734
200 10F-3 0.02611 0.24410 0.00771 -0.01336 0.07256
201 6 H 1S 0.00000 0.20924 -0.56897 0.00000 0.00000
202 2S 0.00000 -0.76778 2.15522 0.00000 0.00000
203 3S 0.00000 -1.52477 4.84554 0.00000 0.00000
204 4S 0.00000 -0.11089 0.43295 0.00000 0.00000
205 5PX 0.22845 0.00000 0.00000 -0.16681 -0.03407
206 5PY 0.00000 -0.02861 -0.10952 0.00000 0.00000
207 5PZ 0.00000 0.24497 0.11531 0.00000 0.00000
208 6PX -0.49062 0.00000 0.00000 0.38539 -0.02879
209 6PY 0.00000 -0.22820 1.19107 0.00000 0.00000
210 6PZ 0.00000 -0.47491 0.05850 0.00000 0.00000
211 7PX -0.37020 0.00000 0.00000 0.18749 0.15355
212 7PY 0.00000 -0.30100 1.89282 0.00000 0.00000
213 7PZ 0.00000 -0.54477 0.42940 0.00000 0.00000
214 8D 0 0.00000 0.00004 0.13725 0.00000 0.00000
215 8D+1 -0.21539 0.00000 0.00000 -0.19732 -0.10534
216 8D-1 0.00000 0.31106 -0.16001 0.00000 0.00000
217 8D+2 0.00000 0.22570 0.34328 0.00000 0.00000
218 8D-2 0.29351 0.00000 0.00000 -0.06552 -0.12377
219 9D 0 0.00000 -0.11398 -0.29311 0.00000 0.00000
220 9D+1 0.22176 0.00000 0.00000 0.18256 -0.22067
221 9D-1 0.00000 -0.46145 0.17488 0.00000 0.00000
222 9D+2 0.00000 -0.33475 -0.62626 0.00000 0.00000
223 9D-2 -0.45626 0.00000 0.00000 0.23312 0.11937
224 10F 0 0.00000 0.01234 0.06791 0.00000 0.00000
225 10F+1 0.09656 0.00000 0.00000 -0.04226 -0.13187
226 10F-1 0.00000 -0.11007 0.08326 0.00000 0.00000
227 10F+2 0.00000 0.06134 0.07590 0.00000 0.00000
228 10F-2 0.05182 0.00000 0.00000 0.04045 -0.25020
229 10F+3 -0.03044 0.00000 0.00000 0.04630 -0.03467
230 10F-3 0.00000 -0.24410 -0.01543 0.00000 0.00000
231 7 H 1S -0.06242 0.20924 0.28448 -0.49274 -0.19122
232 2S -0.18696 -0.76778 -1.07761 1.86647 0.69342
233 3S -0.06840 -1.52477 -2.42277 4.19636 1.33879
234 4S -0.11280 -0.11089 -0.21647 0.37494 0.18749
235 5PX 0.13202 -0.02478 -0.02481 -0.12384 0.05412
236 5PY 0.05567 0.01430 -0.15249 -0.02481 -0.05092
237 5PZ -0.23852 0.24497 -0.05766 0.09987 -0.26400
238 6PX -0.50336 -0.19763 -0.34887 0.98965 0.19309
239 6PY 0.00735 0.11410 0.58681 -0.34887 -0.12810
240 6PZ 0.43423 -0.47491 -0.02925 0.05066 0.63347
241 7PX -0.12094 -0.26068 -0.73843 1.46649 0.47587
242 7PY -0.14391 0.15050 0.61382 -0.73843 -0.18609
243 7PZ -0.53247 -0.54477 -0.21470 0.37187 0.56766
244 8D 0 0.43482 0.00004 -0.06862 0.11886 0.11661
245 8D+1 -0.06331 0.26938 -0.01616 -0.16934 -0.40485
246 8D-1 -0.08780 -0.15553 -0.18799 -0.01616 0.17292
247 8D+2 0.21466 -0.11285 0.03668 -0.17702 0.01375
248 8D-2 -0.07829 0.19546 -0.17702 0.24108 -0.14759
249 9D 0 -0.24163 -0.11398 0.14655 -0.25384 0.07793
250 9D+1 -0.07216 -0.39962 0.00333 0.17680 0.50706
251 9D-1 0.16969 0.23072 0.18064 0.00333 -0.42015
252 9D+2 -0.34829 0.16738 0.01827 0.37212 0.06971
253 9D-2 0.14700 -0.28990 0.37212 -0.41142 -0.00137
254 10F 0 0.09319 0.01234 -0.03396 0.05881 0.00878
255 10F+1 -0.04484 -0.09533 -0.05435 0.05188 0.11692
256 10F-1 0.08164 0.05504 -0.01088 -0.05435 -0.14364
257 10F+2 -0.04916 -0.03067 0.04931 -0.01535 -0.09238
258 10F-2 0.13697 0.05312 -0.01535 0.06704 -0.09019
259 10F+3 0.01522 0.00000 -0.04009 -0.02315 0.01734
260 10F-3 0.02611 -0.24410 0.00771 -0.01336 -0.07256
261 8 H 1S 0.06242 0.20924 0.28448 0.49274 0.19122
262 2S 0.18696 -0.76778 -1.07761 -1.86647 -0.69342
263 3S 0.06840 -1.52477 -2.42277 -4.19636 -1.33879
264 4S 0.11280 -0.11089 -0.21647 -0.37494 -0.18749
265 5PX 0.13202 0.02478 0.02481 -0.12384 0.05412
266 5PY -0.05567 0.01430 -0.15249 0.02481 0.05092
267 5PZ 0.23852 0.24497 -0.05766 -0.09987 0.26400
268 6PX -0.50336 0.19763 0.34887 0.98965 0.19309
269 6PY -0.00735 0.11410 0.58681 0.34887 0.12810
270 6PZ -0.43423 -0.47491 -0.02925 -0.05066 -0.63347
271 7PX -0.12094 0.26068 0.73843 1.46649 0.47587
272 7PY 0.14391 0.15050 0.61382 0.73843 0.18609
273 7PZ 0.53247 -0.54477 -0.21470 -0.37187 -0.56766
274 8D 0 -0.43482 0.00004 -0.06862 -0.11886 -0.11661
275 8D+1 -0.06331 -0.26938 0.01616 -0.16934 -0.40485
276 8D-1 0.08780 -0.15553 -0.18799 0.01616 -0.17292
277 8D+2 -0.21466 -0.11285 0.03668 0.17702 -0.01375
278 8D-2 -0.07829 -0.19546 0.17702 0.24108 -0.14759
279 9D 0 0.24163 -0.11398 0.14655 0.25384 -0.07793
280 9D+1 -0.07216 0.39962 -0.00333 0.17680 0.50706
281 9D-1 -0.16969 0.23072 0.18064 -0.00333 0.42015
282 9D+2 0.34829 0.16738 0.01827 -0.37212 -0.06971
283 9D-2 0.14700 0.28990 -0.37212 -0.41142 -0.00137
284 10F 0 -0.09319 0.01234 -0.03396 -0.05881 -0.00878
285 10F+1 -0.04484 0.09533 0.05435 0.05188 0.11692
286 10F-1 -0.08164 0.05504 -0.01088 0.05435 0.14364
287 10F+2 0.04916 -0.03067 0.04931 0.01535 0.09238
288 10F-2 0.13697 -0.05312 0.01535 0.06704 -0.09019
289 10F+3 0.01522 0.00000 0.04009 -0.02315 0.01734
290 10F-3 -0.02611 -0.24410 0.00771 0.01336 0.07256
251 252 253 254 255
(EG)--V (A1U)--V (EG)--V (EG)--V (A2U)--V
Eigenvalues -- 9.08743 9.21337 9.24051 9.24051 9.31856
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2 2S 0.00000 0.00000 0.00000 0.00000 -0.11429
3 3S 0.00000 0.00000 0.00000 0.00000 -2.84958
4 4S 0.00000 0.00000 0.00000 0.00000 8.17170
5 5S 0.00000 0.00000 0.00000 0.00000 3.65670
6 6PX 0.00000 0.00000 -0.10711 0.00000 0.00000
7 6PY 0.14280 0.00000 0.00000 -0.10711 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.81147
9 7PX 0.00000 0.00000 -0.15932 0.00000 0.00000
10 7PY -0.67940 0.00000 0.00000 -0.15932 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.00000 -1.17456
12 8PX 0.00000 0.00000 3.35239 0.00000 0.00000
13 8PY -0.86042 0.00000 0.00000 3.35239 0.00000
14 8PZ 0.00000 0.00000 0.00000 0.00000 -7.15719
15 9PX 0.00000 0.00000 0.30270 0.00000 0.00000
16 9PY -0.25268 0.00000 0.00000 0.30270 0.00000
17 9PZ 0.00000 0.00000 0.00000 0.00000 -1.63832
18 10D 0 0.00000 0.00000 0.00000 0.00000 -0.81270
19 10D+1 0.00000 0.00000 0.12136 0.00000 0.00000
20 10D-1 0.40631 0.00000 0.00000 0.12136 0.00000
21 10D+2 -0.20313 0.00000 0.00000 0.08724 0.00000
22 10D-2 0.00000 0.00000 0.08724 0.00000 0.00000
23 11D 0 0.00000 0.00000 0.00000 0.00000 3.15288
24 11D+1 0.00000 0.00000 -0.91417 0.00000 0.00000
25 11D-1 -0.97970 0.00000 0.00000 -0.91417 0.00000
26 11D+2 0.69520 0.00000 0.00000 0.11220 0.00000
27 11D-2 0.00000 0.00000 0.11220 0.00000 0.00000
28 12D 0 0.00000 0.00000 0.00000 0.00000 2.03117
29 12D+1 0.00000 0.00000 0.14602 0.00000 0.00000
30 12D-1 -0.16086 0.00000 0.00000 0.14602 0.00000
31 12D+2 0.55305 0.00000 0.00000 -0.64997 0.00000
32 12D-2 0.00000 0.00000 -0.64997 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00000 -0.59345
34 13F+1 0.00000 0.00000 -0.18594 0.00000 0.00000
35 13F-1 0.12029 0.00000 0.00000 -0.18594 0.00000
36 13F+2 0.00504 0.00000 0.00000 0.22626 0.00000
37 13F-2 0.00000 0.00000 0.22626 0.00000 0.00000
38 13F+3 0.00000 -0.57197 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.08113
40 14F 0 0.00000 0.00000 0.00000 0.00000 -1.35211
41 14F+1 0.00000 0.00000 0.03706 0.00000 0.00000
42 14F-1 1.36324 0.00000 0.00000 0.03706 0.00000
43 14F+2 0.21465 0.00000 0.00000 0.37501 0.00000
44 14F-2 0.00000 0.00000 0.37501 0.00000 0.00000
45 14F+3 0.00000 -0.53726 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.10404
47 15G 0 0.00000 0.00000 0.00000 0.00000 0.65007
48 15G+1 0.00000 0.00000 -0.33427 0.00000 0.00000
49 15G-1 -0.53202 0.00000 0.00000 -0.33427 0.00000
50 15G+2 0.18034 0.00000 0.00000 0.19074 0.00000
51 15G-2 0.00000 0.00000 0.19074 0.00000 0.00000
52 15G+3 0.00000 -0.07943 0.00000 0.00000 0.00000
53 15G-3 0.00000 0.00000 0.00000 0.00000 0.03307
54 15G+4 -0.38095 0.00000 0.00000 -0.12403 0.00000
55 15G-4 0.00000 0.00000 0.12403 0.00000 0.00000
56 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.01925
57 2S 0.00000 0.00000 0.00000 0.00000 0.11429
58 3S 0.00000 0.00000 0.00000 0.00000 2.84958
59 4S 0.00000 0.00000 0.00000 0.00000 -8.17170
60 5S 0.00000 0.00000 0.00000 0.00000 -3.65670
61 6PX 0.00000 0.00000 0.10711 0.00000 0.00000
62 6PY -0.14280 0.00000 0.00000 0.10711 0.00000
63 6PZ 0.00000 0.00000 0.00000 0.00000 0.81147
64 7PX 0.00000 0.00000 0.15932 0.00000 0.00000
65 7PY 0.67940 0.00000 0.00000 0.15932 0.00000
66 7PZ 0.00000 0.00000 0.00000 0.00000 -1.17456
67 8PX 0.00000 0.00000 -3.35239 0.00000 0.00000
68 8PY 0.86042 0.00000 0.00000 -3.35239 0.00000
69 8PZ 0.00000 0.00000 0.00000 0.00000 -7.15719
70 9PX 0.00000 0.00000 -0.30270 0.00000 0.00000
71 9PY 0.25268 0.00000 0.00000 -0.30270 0.00000
72 9PZ 0.00000 0.00000 0.00000 0.00000 -1.63832
73 10D 0 0.00000 0.00000 0.00000 0.00000 0.81270
74 10D+1 0.00000 0.00000 0.12136 0.00000 0.00000
75 10D-1 0.40631 0.00000 0.00000 0.12136 0.00000
76 10D+2 -0.20313 0.00000 0.00000 0.08724 0.00000
77 10D-2 0.00000 0.00000 0.08724 0.00000 0.00000
78 11D 0 0.00000 0.00000 0.00000 0.00000 -3.15288
79 11D+1 0.00000 0.00000 -0.91417 0.00000 0.00000
80 11D-1 -0.97970 0.00000 0.00000 -0.91417 0.00000
81 11D+2 0.69520 0.00000 0.00000 0.11220 0.00000
82 11D-2 0.00000 0.00000 0.11220 0.00000 0.00000
83 12D 0 0.00000 0.00000 0.00000 0.00000 -2.03117
84 12D+1 0.00000 0.00000 0.14602 0.00000 0.00000
85 12D-1 -0.16086 0.00000 0.00000 0.14602 0.00000
86 12D+2 0.55305 0.00000 0.00000 -0.64997 0.00000
87 12D-2 0.00000 0.00000 -0.64997 0.00000 0.00000
88 13F 0 0.00000 0.00000 0.00000 0.00000 -0.59345
89 13F+1 0.00000 0.00000 0.18594 0.00000 0.00000
90 13F-1 -0.12029 0.00000 0.00000 0.18594 0.00000
91 13F+2 -0.00504 0.00000 0.00000 -0.22626 0.00000
92 13F-2 0.00000 0.00000 -0.22626 0.00000 0.00000
93 13F+3 0.00000 -0.57197 0.00000 0.00000 0.00000
94 13F-3 0.00000 0.00000 0.00000 0.00000 0.08113
95 14F 0 0.00000 0.00000 0.00000 0.00000 -1.35211
96 14F+1 0.00000 0.00000 -0.03706 0.00000 0.00000
97 14F-1 -1.36324 0.00000 0.00000 -0.03706 0.00000
98 14F+2 -0.21465 0.00000 0.00000 -0.37501 0.00000
99 14F-2 0.00000 0.00000 -0.37501 0.00000 0.00000
100 14F+3 0.00000 -0.53726 0.00000 0.00000 0.00000
101 14F-3 0.00000 0.00000 0.00000 0.00000 0.10404
102 15G 0 0.00000 0.00000 0.00000 0.00000 -0.65007
103 15G+1 0.00000 0.00000 -0.33427 0.00000 0.00000
104 15G-1 -0.53202 0.00000 0.00000 -0.33427 0.00000
105 15G+2 0.18034 0.00000 0.00000 0.19074 0.00000
106 15G-2 0.00000 0.00000 0.19074 0.00000 0.00000
107 15G+3 0.00000 0.07943 0.00000 0.00000 0.00000
108 15G-3 0.00000 0.00000 0.00000 0.00000 -0.03307
109 15G+4 -0.38095 0.00000 0.00000 -0.12403 0.00000
110 15G-4 0.00000 0.00000 0.12403 0.00000 0.00000
111 3 H 1S -0.22080 0.00000 0.00000 0.06406 0.02087
112 2S 0.80069 0.00000 0.00000 -0.07785 -0.08920
113 3S 1.54590 0.00000 0.00000 -2.08416 0.40726
114 4S 0.21650 0.00000 0.00000 -0.07542 0.15991
115 5PX 0.00000 0.41712 0.37811 0.00000 0.00000
116 5PY -0.08352 0.00000 0.00000 0.18429 -0.10326
117 5PZ 0.30484 0.00000 0.00000 -0.43029 0.04658
118 6PX 0.00000 -0.65441 -0.54417 0.00000 0.00000
119 6PY -0.26704 0.00000 0.00000 -0.32422 0.05954
120 6PZ -0.73147 0.00000 0.00000 0.68425 -0.07520
121 7PX 0.00000 -0.34103 -0.18551 0.00000 0.00000
122 7PY -0.58331 0.00000 0.00000 0.43631 -0.21712
123 7PZ -0.65548 0.00000 0.00000 0.68291 -0.13987
124 8D 0 0.13465 0.00000 0.00000 0.40167 -0.01751
125 8D+1 0.00000 0.03339 0.04276 0.00000 0.00000
126 8D-1 -0.50469 0.00000 0.00000 0.14707 -0.09422
127 8D+2 -0.15553 0.00000 0.00000 -0.06627 0.01104
128 8D-2 0.00000 -0.33986 -0.32467 0.00000 0.00000
129 9D 0 0.08999 0.00000 0.00000 -0.68003 0.08049
130 9D+1 0.00000 0.21085 -0.04977 0.00000 0.00000
131 9D-1 0.74963 0.00000 0.00000 -0.52206 0.15196
132 9D+2 -0.04162 0.00000 0.00000 -0.32690 -0.12376
133 9D-2 0.00000 0.76098 0.58926 0.00000 0.00000
134 10F 0 -0.01014 0.00000 0.00000 -0.09221 -0.05725
135 10F+1 0.00000 0.01364 0.16166 0.00000 0.00000
136 10F-1 -0.19985 0.00000 0.00000 0.34856 -0.05943
137 10F+2 0.03686 0.00000 0.00000 -0.10828 0.02308
138 10F-2 0.00000 -0.21757 -0.03821 0.00000 0.00000
139 10F+3 0.00000 0.37034 0.21031 0.00000 0.00000
140 10F-3 0.08379 0.00000 0.00000 0.25895 0.06701
141 4 H 1S 0.11040 0.00000 -0.05547 -0.03203 0.02087
142 2S -0.40035 0.00000 0.06742 0.03892 -0.08920
143 3S -0.77295 0.00000 1.80494 1.04208 0.40726
144 4S -0.10825 0.00000 0.06531 0.03771 0.15991
145 5PX -0.05092 -0.20856 0.23274 -0.08393 0.08943
146 5PY 0.00467 0.36123 -0.08393 0.32966 0.05163
147 5PZ -0.15242 0.00000 0.37264 0.21515 0.04658
148 6PX -0.12810 0.32721 -0.37921 0.09524 -0.05156
149 6PY -0.04517 -0.56674 0.09524 -0.48919 -0.02977
150 6PZ 0.36573 0.00000 -0.59258 -0.34212 -0.07520
151 7PX -0.18609 0.17051 0.28086 0.26925 0.18803
152 7PY -0.26099 -0.29534 0.26925 -0.03005 0.10856
153 7PZ 0.32774 0.00000 -0.59142 -0.34146 -0.13987
154 8D 0 -0.06733 0.00000 -0.34785 -0.20083 -0.01751
155 8D+1 -0.17292 -0.01670 0.12099 0.04517 0.08160
156 8D-1 -0.20517 0.02892 0.04517 0.06884 0.04711
157 8D+2 -0.13171 -0.29433 0.11189 -0.26007 -0.00552
158 8D-2 -0.01375 0.16993 -0.13087 0.11189 -0.00957
159 9D 0 -0.04500 0.00000 0.58892 0.34001 0.08049
160 9D+1 0.42015 -0.10543 -0.40399 -0.20451 -0.13160
161 9D-1 0.02191 0.18260 -0.20451 -0.16784 -0.07598
162 9D+2 0.07912 0.65903 -0.39671 0.36022 0.06188
163 9D-2 -0.06971 -0.38049 -0.09786 -0.39671 0.10718
164 10F 0 0.00507 0.00000 0.07986 0.04611 -0.05725
165 10F+1 -0.14364 -0.00682 0.30184 0.08093 0.05147
166 10F-1 0.04894 0.01181 0.08093 0.20839 0.02971
167 10F+2 0.19686 -0.18842 -0.03034 -0.05573 -0.01154
168 10F-2 -0.09238 0.10878 -0.09076 -0.03034 -0.01999
169 10F+3 0.03003 0.37034 -0.10515 0.18213 0.00000
170 10F-3 -0.04189 0.00000 -0.22425 -0.12947 0.06701
171 5 H 1S 0.11040 0.00000 0.05547 -0.03203 0.02087
172 2S -0.40035 0.00000 -0.06742 0.03892 -0.08920
173 3S -0.77295 0.00000 -1.80494 1.04208 0.40726
174 4S -0.10825 0.00000 -0.06531 0.03771 0.15991
175 5PX 0.05092 -0.20856 0.23274 0.08393 -0.08943
176 5PY 0.00467 -0.36123 0.08393 0.32966 0.05163
177 5PZ -0.15242 0.00000 -0.37264 0.21515 0.04658
178 6PX 0.12810 0.32721 -0.37921 -0.09524 0.05156
179 6PY -0.04517 0.56674 -0.09524 -0.48919 -0.02977
180 6PZ 0.36573 0.00000 0.59258 -0.34212 -0.07520
181 7PX 0.18609 0.17051 0.28086 -0.26925 -0.18803
182 7PY -0.26099 0.29534 -0.26925 -0.03005 0.10856
183 7PZ 0.32774 0.00000 0.59142 -0.34146 -0.13987
184 8D 0 -0.06733 0.00000 0.34785 -0.20083 -0.01751
185 8D+1 0.17292 -0.01670 0.12099 -0.04517 -0.08160
186 8D-1 -0.20517 -0.02892 -0.04517 0.06884 0.04711
187 8D+2 -0.13171 0.29433 -0.11189 -0.26007 -0.00552
188 8D-2 0.01375 0.16993 -0.13087 -0.11189 0.00957
189 9D 0 -0.04500 0.00000 -0.58892 0.34001 0.08049
190 9D+1 -0.42015 -0.10543 -0.40399 0.20451 0.13160
191 9D-1 0.02191 -0.18260 0.20451 -0.16784 -0.07598
192 9D+2 0.07912 -0.65903 0.39671 0.36022 0.06188
193 9D-2 0.06971 -0.38049 -0.09786 0.39671 -0.10718
194 10F 0 0.00507 0.00000 -0.07986 0.04611 -0.05725
195 10F+1 0.14364 -0.00682 0.30184 -0.08093 -0.05147
196 10F-1 0.04894 -0.01181 -0.08093 0.20839 0.02971
197 10F+2 0.19686 0.18842 0.03034 -0.05573 -0.01154
198 10F-2 0.09238 0.10878 -0.09076 0.03034 0.01999
199 10F+3 -0.03003 0.37034 -0.10515 -0.18213 0.00000
200 10F-3 -0.04189 0.00000 0.22425 -0.12947 0.06701
201 6 H 1S -0.22080 0.00000 0.00000 0.06406 -0.02087
202 2S 0.80069 0.00000 0.00000 -0.07785 0.08920
203 3S 1.54590 0.00000 0.00000 -2.08416 -0.40726
204 4S 0.21650 0.00000 0.00000 -0.07542 -0.15991
205 5PX 0.00000 0.41712 -0.37811 0.00000 0.00000
206 5PY 0.08352 0.00000 0.00000 -0.18429 -0.10326
207 5PZ -0.30484 0.00000 0.00000 0.43029 0.04658
208 6PX 0.00000 -0.65441 0.54417 0.00000 0.00000
209 6PY 0.26704 0.00000 0.00000 0.32422 0.05954
210 6PZ 0.73147 0.00000 0.00000 -0.68425 -0.07520
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221 9D-1 0.74963 0.00000 0.00000 -0.52206 -0.15196
222 9D+2 -0.04162 0.00000 0.00000 -0.32690 0.12376
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227 10F+2 -0.03686 0.00000 0.00000 0.10828 0.02308
228 10F-2 0.00000 -0.21757 0.03821 0.00000 0.00000
229 10F+3 0.00000 0.37034 -0.21031 0.00000 0.00000
230 10F-3 -0.08379 0.00000 0.00000 -0.25895 0.06701
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232 2S -0.40035 0.00000 -0.06742 0.03892 0.08920
233 3S -0.77295 0.00000 -1.80494 1.04208 -0.40726
234 4S -0.10825 0.00000 -0.06531 0.03771 -0.15991
235 5PX -0.05092 -0.20856 -0.23274 -0.08393 -0.08943
236 5PY -0.00467 -0.36123 -0.08393 -0.32966 0.05163
237 5PZ 0.15242 0.00000 0.37264 -0.21515 0.04658
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239 6PY 0.04517 0.56674 0.09524 0.48919 -0.02977
240 6PZ -0.36573 0.00000 -0.59258 0.34212 -0.07520
241 7PX -0.18609 0.17051 -0.28086 0.26925 -0.18803
242 7PY 0.26099 0.29534 0.26925 0.03005 0.10856
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253 9D-2 0.06971 0.38049 -0.09786 0.39671 0.10718
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258 10F-2 -0.09238 0.10878 0.09076 -0.03034 0.01999
259 10F+3 0.03003 0.37034 0.10515 0.18213 0.00000
260 10F-3 0.04189 0.00000 -0.22425 0.12947 0.06701
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262 2S -0.40035 0.00000 0.06742 0.03892 0.08920
263 3S -0.77295 0.00000 1.80494 1.04208 -0.40726
264 4S -0.10825 0.00000 0.06531 0.03771 -0.15991
265 5PX 0.05092 -0.20856 -0.23274 0.08393 0.08943
266 5PY -0.00467 0.36123 0.08393 -0.32966 0.05163
267 5PZ 0.15242 0.00000 -0.37264 -0.21515 0.04658
268 6PX 0.12810 0.32721 0.37921 -0.09524 -0.05156
269 6PY 0.04517 -0.56674 -0.09524 0.48919 -0.02977
270 6PZ -0.36573 0.00000 0.59258 0.34212 -0.07520
271 7PX 0.18609 0.17051 -0.28086 -0.26925 0.18803
272 7PY 0.26099 -0.29534 -0.26925 0.03005 0.10856
273 7PZ -0.32774 0.00000 0.59142 0.34146 -0.13987
274 8D 0 -0.06733 0.00000 -0.34785 -0.20083 0.01751
275 8D+1 -0.17292 0.01670 0.12099 0.04517 -0.08160
276 8D-1 -0.20517 -0.02892 0.04517 0.06884 -0.04711
277 8D+2 -0.13171 0.29433 0.11189 -0.26007 0.00552
278 8D-2 -0.01375 -0.16993 -0.13087 0.11189 0.00957
279 9D 0 -0.04500 0.00000 0.58892 0.34001 -0.08049
280 9D+1 0.42015 0.10543 -0.40399 -0.20451 0.13160
281 9D-1 0.02191 -0.18260 -0.20451 -0.16784 0.07598
282 9D+2 0.07912 -0.65903 -0.39671 0.36022 -0.06188
283 9D-2 -0.06971 0.38049 -0.09786 -0.39671 -0.10718
284 10F 0 -0.00507 0.00000 -0.07986 -0.04611 -0.05725
285 10F+1 0.14364 -0.00682 -0.30184 -0.08093 0.05147
286 10F-1 -0.04894 0.01181 -0.08093 -0.20839 0.02971
287 10F+2 -0.19686 -0.18842 0.03034 0.05573 -0.01154
288 10F-2 0.09238 0.10878 0.09076 0.03034 -0.01999
289 10F+3 -0.03003 0.37034 0.10515 -0.18213 0.00000
290 10F-3 0.04189 0.00000 0.22425 0.12947 0.06701
256 257 258 259 260
(A1G)--V (A2U)--V (EG)--V (EG)--V (EU)--V
Eigenvalues -- 9.34236 9.40059 9.46229 9.46229 9.48871
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11 7PZ -0.51321 -0.41936 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 4.55650 0.00000 0.00000
13 8PY 0.00000 0.00000 0.00000 4.55650 2.82448
14 8PZ 3.21395 7.52786 0.00000 0.00000 0.00000
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17 9PZ 0.56733 0.82953 0.00000 0.00000 0.00000
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22 10D-2 0.00000 0.00000 0.52652 0.00000 0.00000
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26 11D+2 0.00000 0.00000 0.00000 -0.94858 -0.02103
27 11D-2 0.00000 0.00000 -0.94858 0.00000 0.00000
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29 12D+1 0.00000 0.00000 1.98393 0.00000 0.00000
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31 12D+2 0.00000 0.00000 0.00000 -0.53785 -0.43303
32 12D-2 0.00000 0.00000 -0.53785 0.00000 0.00000
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35 13F-1 0.00000 0.00000 0.00000 -0.10005 -0.29470
36 13F+2 0.00000 0.00000 0.00000 0.08026 0.16622
37 13F-2 0.00000 0.00000 0.08026 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.36782 -0.11809 0.00000 0.00000 0.00000
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43 14F+2 0.00000 0.00000 0.00000 -0.38275 1.14028
44 14F-2 0.00000 0.00000 -0.38275 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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50 15G+2 0.00000 0.00000 0.00000 0.18461 0.11724
51 15G-2 0.00000 0.00000 0.18461 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 -0.09082 0.01764 0.00000 0.00000 0.00000
54 15G+4 0.00000 0.00000 0.00000 -0.15368 -0.00838
55 15G-4 0.00000 0.00000 0.15368 0.00000 0.00000
56 2 C 1S 0.07460 0.05825 0.00000 0.00000 0.00000
57 2S -0.15111 0.00935 0.00000 0.00000 0.00000
58 3S -2.44843 -0.52498 0.00000 0.00000 0.00000
59 4S 5.58128 1.05015 0.00000 0.00000 0.00000
60 5S -0.11072 0.19487 0.00000 0.00000 0.00000
61 6PX 0.00000 0.00000 0.09508 0.00000 0.00000
62 6PY 0.00000 0.00000 0.00000 0.09508 -0.16157
63 6PZ -0.00906 -0.10163 0.00000 0.00000 0.00000
64 7PX 0.00000 0.00000 0.21399 0.00000 0.00000
65 7PY 0.00000 0.00000 0.00000 0.21399 0.03706
66 7PZ 0.51321 -0.41936 0.00000 0.00000 0.00000
67 8PX 0.00000 0.00000 -4.55650 0.00000 0.00000
68 8PY 0.00000 0.00000 0.00000 -4.55650 2.82448
69 8PZ -3.21395 7.52786 0.00000 0.00000 0.00000
70 9PX 0.00000 0.00000 -0.43671 0.00000 0.00000
71 9PY 0.00000 0.00000 0.00000 -0.43671 0.60938
72 9PZ -0.56733 0.82953 0.00000 0.00000 0.00000
73 10D 0 0.46864 -0.37336 0.00000 0.00000 0.00000
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75 10D-1 0.00000 0.00000 0.00000 -0.64932 0.15186
76 10D+2 0.00000 0.00000 0.00000 0.52652 -0.23216
77 10D-2 0.00000 0.00000 0.52652 0.00000 0.00000
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80 11D-1 0.00000 0.00000 0.00000 1.80105 0.45620
81 11D+2 0.00000 0.00000 0.00000 -0.94858 0.02103
82 11D-2 0.00000 0.00000 -0.94858 0.00000 0.00000
83 12D 0 -0.64420 1.13712 0.00000 0.00000 0.00000
84 12D+1 0.00000 0.00000 1.98393 0.00000 0.00000
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87 12D-2 0.00000 0.00000 -0.53785 0.00000 0.00000
88 13F 0 0.04262 0.11319 0.00000 0.00000 0.00000
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91 13F+2 0.00000 0.00000 0.00000 -0.08026 0.16622
92 13F-2 0.00000 0.00000 -0.08026 0.00000 0.00000
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105 15G+2 0.00000 0.00000 0.00000 0.18461 -0.11724
106 15G-2 0.00000 0.00000 0.18461 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
108 15G-3 -0.09082 -0.01764 0.00000 0.00000 0.00000
109 15G+4 0.00000 0.00000 0.00000 -0.15368 0.00838
110 15G-4 0.00000 0.00000 0.15368 0.00000 0.00000
111 3 H 1S 0.22350 0.11340 0.00000 0.39838 0.05530
112 2S -1.09111 -0.25885 0.00000 -1.36309 0.13842
113 3S -0.79571 -1.73733 0.00000 -4.40234 -1.88433
114 4S -0.01456 -0.15843 0.00000 -0.21883 -0.32837
115 5PX 0.00000 0.00000 0.18805 0.00000 0.00000
116 5PY -0.01064 -0.18886 0.00000 -0.12572 0.21279
117 5PZ 0.26825 0.46404 0.00000 0.23851 -0.59743
118 6PX 0.00000 0.00000 -0.15260 0.00000 0.00000
119 6PY 0.23211 0.43428 0.00000 0.79136 -0.44680
120 6PZ -0.30988 -0.68086 0.00000 -0.15381 1.12902
121 7PX 0.00000 0.00000 -0.52572 0.00000 0.00000
122 7PY 0.43376 0.71537 0.00000 1.70354 0.23518
123 7PZ -0.46405 -0.22335 0.00000 0.07281 0.94669
124 8D 0 -0.34139 -0.28168 0.00000 -0.24352 0.25858
125 8D+1 0.00000 0.00000 -0.06838 0.00000 0.00000
126 8D-1 -0.04258 -0.29368 0.00000 -0.10898 0.16383
127 8D+2 -0.17062 0.02506 0.00000 -0.24792 0.02640
128 8D-2 0.00000 0.00000 -0.29054 0.00000 0.00000
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132 9D+2 0.06200 -0.03070 0.00000 0.29945 -0.48534
133 9D-2 0.00000 0.00000 0.42447 0.00000 0.00000
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137 10F+2 0.25064 0.09509 0.00000 0.27697 -0.05925
138 10F-2 0.00000 0.00000 0.17708 0.00000 0.00000
139 10F+3 0.00000 0.00000 0.17124 0.00000 0.00000
140 10F-3 0.09850 0.13662 0.00000 0.13677 0.29709
141 4 H 1S 0.22350 0.11340 -0.34501 -0.19919 -0.02765
142 2S -1.09111 -0.25885 1.18047 0.68154 -0.06921
143 3S -0.79571 -1.73733 3.81254 2.20117 0.94216
144 4S -0.01456 -0.15843 0.18951 0.10941 0.16418
145 5PX 0.00922 0.16356 -0.04728 -0.13586 -0.08592
146 5PY 0.00532 0.09443 -0.13586 0.10961 0.36160
147 5PZ 0.26825 0.46404 -0.20656 -0.11925 0.29871
148 6PX -0.20101 -0.37610 0.55537 0.40875 0.11566
149 6PY -0.11605 -0.21714 0.40875 0.08339 -0.64713
150 6PZ -0.30988 -0.68086 0.13321 0.07691 -0.56451
151 7PX -0.37565 -0.61953 1.14623 0.96530 0.33302
152 7PY -0.21688 -0.35769 0.96530 0.03160 -0.34163
153 7PZ -0.46405 -0.22335 -0.06306 -0.03641 -0.47335
154 8D 0 -0.34139 -0.28168 0.21089 0.12176 -0.12929
155 8D+1 0.03688 0.25433 -0.09883 -0.01758 0.13167
156 8D-1 0.02129 0.14684 -0.01758 -0.07853 -0.06423
157 8D+2 0.08531 -0.01253 0.01846 -0.27989 -0.21681
158 8D-2 0.14776 -0.02171 -0.25858 0.01846 0.14041
159 9D 0 0.47253 0.61790 -0.33959 -0.19606 0.38758
160 9D+1 -0.45199 -0.38082 0.19732 0.19368 -0.38381
161 9D-1 -0.26095 -0.21987 0.19368 -0.02633 -0.03524
162 9D+2 -0.03100 0.01535 -0.05413 0.39322 0.45127
163 9D-2 -0.05369 0.02659 0.33071 -0.05413 -0.54075
164 10F 0 0.13375 -0.05367 -0.07969 -0.04601 0.00872
165 10F+1 0.17121 0.13704 0.00377 -0.05137 0.11245
166 10F-1 0.09885 0.07912 -0.05137 0.06308 0.22049
167 10F+2 -0.12532 -0.04754 0.04325 0.20206 -0.08803
168 10F-2 -0.21706 -0.08235 0.25200 0.04325 0.01662
169 10F+3 0.00000 0.00000 -0.08562 0.14830 0.19904
170 10F-3 0.09850 0.13662 -0.11845 -0.06839 -0.14854
171 5 H 1S 0.22350 0.11340 0.34501 -0.19919 -0.02765
172 2S -1.09111 -0.25885 -1.18047 0.68154 -0.06921
173 3S -0.79571 -1.73733 -3.81254 2.20117 0.94216
174 4S -0.01456 -0.15843 -0.18951 0.10941 0.16418
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176 5PY 0.00532 0.09443 0.13586 0.10961 0.36160
177 5PZ 0.26825 0.46404 0.20656 -0.11925 0.29871
178 6PX 0.20101 0.37610 0.55537 -0.40875 -0.11566
179 6PY -0.11605 -0.21714 -0.40875 0.08339 -0.64713
180 6PZ -0.30988 -0.68086 -0.13321 0.07691 -0.56451
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188 8D-2 -0.14776 0.02171 -0.25858 -0.01846 -0.14041
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203 3S -0.79571 1.73733 0.00000 -4.40234 1.88433
204 4S -0.01456 0.15843 0.00000 -0.21883 0.32837
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207 5PZ -0.26825 0.46404 0.00000 -0.23851 -0.59743
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211 7PX 0.00000 0.00000 0.52572 0.00000 0.00000
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252 9D+2 -0.54075 0.74271 -0.44300 -0.26584 0.52364
253 9D-2 0.17314 0.42881 -0.26584 -0.13603 0.01871
254 10F 0 -0.01510 0.00000 0.01223 -0.02118 -0.11725
255 10F+1 0.35034 0.05048 0.20463 -0.15971 0.08025
256 10F-1 -0.11245 0.08744 0.07658 0.20463 -0.07916
257 10F+2 -0.01662 0.23180 0.26818 0.01513 0.19571
258 10F-2 -0.06884 0.13383 0.01513 0.25070 -0.03359
259 10F+3 -0.11491 0.26100 -0.19637 -0.11338 0.25378
260 10F-3 0.25729 0.00000 -0.09387 0.16260 -0.07947
261 8 H 1S 0.04789 0.00000 0.05785 0.10020 0.12651
262 2S 0.11988 0.00000 -0.21810 -0.37776 0.24935
263 3S -1.63188 0.00000 0.06095 0.10556 0.18343
264 4S -0.28438 0.00000 0.03396 0.05882 -0.03089
265 5PX 0.26239 -0.31688 -0.14751 0.01473 -0.43669
266 5PY -0.08592 0.54885 0.18506 -0.14751 0.09428
267 5PZ 0.51739 0.00000 -0.25452 -0.44084 0.35558
268 6PX -0.51358 0.61589 0.20674 0.09851 0.56381
269 6PY 0.11566 -1.06675 -0.14022 0.20674 -0.55418
270 6PZ -0.97776 0.00000 0.42948 0.74388 -0.54247
271 7PX 0.04291 0.24212 0.36698 -0.08883 0.14027
272 7PY 0.33302 -0.41936 -0.51259 0.36698 -0.17610
273 7PZ -0.81986 0.00000 0.41832 0.72455 -0.18739
274 8D 0 0.22394 0.00000 -0.00921 -0.01595 -0.04255
275 8D+1 -0.08781 -0.03477 0.02034 0.24722 -0.05684
276 8D-1 -0.13167 0.06023 0.22374 0.02034 -0.16741
277 8D+2 -0.14041 0.24018 0.28643 -0.09183 -0.04977
278 8D-2 0.05467 -0.13867 -0.09183 0.18040 0.22649
279 9D 0 -0.67131 0.00000 0.23515 0.40729 -0.06837
280 9D+1 0.47842 0.25391 -0.38937 -0.52464 0.48679
281 9D-1 0.38381 -0.43979 -0.07503 -0.38937 0.16428
282 9D+2 0.54075 -0.74271 -0.44300 0.26584 -0.52364
283 9D-2 0.17314 0.42881 0.26584 -0.13603 0.01871
284 10F 0 0.01510 0.00000 0.01223 0.02118 0.11725
285 10F+1 0.35034 0.05048 -0.20463 -0.15971 0.08025
286 10F-1 0.11245 -0.08744 0.07658 -0.20463 0.07916
287 10F+2 0.01662 -0.23180 0.26818 -0.01513 -0.19571
288 10F-2 -0.06884 0.13383 -0.01513 0.25070 -0.03359
289 10F+3 -0.11491 0.26100 0.19637 -0.11338 0.25378
290 10F-3 -0.25729 0.00000 -0.09387 -0.16260 0.07947
266 267 268 269 270
(EG)--V (A2U)--V (EU)--V (EU)--V (A1G)--V
Eigenvalues -- 10.14692 10.16025 10.24082 10.24082 10.38708
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3 3S 0.00000 -1.08175 0.00000 0.00000 1.01064
4 4S 0.00000 -0.22548 0.00000 0.00000 0.11825
5 5S 0.00000 -0.71980 0.00000 0.00000 0.22910
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7 6PY -0.42582 0.00000 -0.32724 0.00000 0.00000
8 6PZ 0.00000 -0.37019 0.00000 0.00000 -0.53050
9 7PX 0.00000 0.00000 0.00000 -0.16891 0.00000
10 7PY 0.09827 0.00000 -0.16891 0.00000 0.00000
11 7PZ 0.00000 0.43633 0.00000 0.00000 1.55879
12 8PX 0.00000 0.00000 0.00000 1.67376 0.00000
13 8PY 2.02002 0.00000 1.67376 0.00000 0.00000
14 8PZ 0.00000 1.49283 0.00000 0.00000 1.23776
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16 9PY -0.04578 0.00000 0.06736 0.00000 0.00000
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21 10D+2 -0.00756 0.00000 0.00400 0.00000 0.00000
22 10D-2 0.00000 0.00000 0.00000 0.00400 0.00000
23 11D 0 0.00000 2.14278 0.00000 0.00000 1.71752
24 11D+1 0.00000 0.00000 0.00000 1.50907 0.00000
25 11D-1 1.07539 0.00000 1.50907 0.00000 0.00000
26 11D+2 1.60377 0.00000 1.67867 0.00000 0.00000
27 11D-2 0.00000 0.00000 0.00000 1.67867 0.00000
28 12D 0 0.00000 0.15300 0.00000 0.00000 0.25772
29 12D+1 0.00000 0.00000 0.00000 0.67562 0.00000
30 12D-1 0.41028 0.00000 0.67562 0.00000 0.00000
31 12D+2 0.10557 0.00000 0.09111 0.00000 0.00000
32 12D-2 0.00000 0.00000 0.00000 0.09111 0.00000
33 13F 0 0.00000 -0.26413 0.00000 0.00000 -0.25599
34 13F+1 0.00000 0.00000 0.00000 0.14814 0.00000
35 13F-1 0.04557 0.00000 0.14814 0.00000 0.00000
36 13F+2 0.22389 0.00000 0.06415 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.06415 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.32682 0.00000 0.00000 0.31898
40 14F 0 0.00000 -0.68439 0.00000 0.00000 -0.22661
41 14F+1 0.00000 0.00000 0.00000 0.45395 0.00000
42 14F-1 0.35082 0.00000 0.45395 0.00000 0.00000
43 14F+2 0.24570 0.00000 0.33666 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.33666 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.41300 0.00000 0.00000 1.06560
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50 15G+2 -0.10063 0.00000 -0.39485 0.00000 0.00000
51 15G-2 0.00000 0.00000 0.00000 -0.39485 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 0.00000 -0.35872 0.00000 0.00000 -0.21721
54 15G+4 0.63240 0.00000 0.63378 0.00000 0.00000
55 15G-4 0.00000 0.00000 0.00000 -0.63378 0.00000
56 2 C 1S 0.00000 -0.01932 0.00000 0.00000 -0.02757
57 2S 0.00000 0.10893 0.00000 0.00000 0.09074
58 3S 0.00000 1.08175 0.00000 0.00000 1.01064
59 4S 0.00000 0.22548 0.00000 0.00000 0.11825
60 5S 0.00000 0.71980 0.00000 0.00000 0.22910
61 6PX 0.00000 0.00000 0.00000 -0.32724 0.00000
62 6PY 0.42582 0.00000 -0.32724 0.00000 0.00000
63 6PZ 0.00000 -0.37019 0.00000 0.00000 0.53050
64 7PX 0.00000 0.00000 0.00000 -0.16891 0.00000
65 7PY -0.09827 0.00000 -0.16891 0.00000 0.00000
66 7PZ 0.00000 0.43633 0.00000 0.00000 -1.55879
67 8PX 0.00000 0.00000 0.00000 1.67376 0.00000
68 8PY -2.02002 0.00000 1.67376 0.00000 0.00000
69 8PZ 0.00000 1.49283 0.00000 0.00000 -1.23776
70 9PX 0.00000 0.00000 0.00000 0.06736 0.00000
71 9PY 0.04578 0.00000 0.06736 0.00000 0.00000
72 9PZ 0.00000 0.03599 0.00000 0.00000 -0.08270
73 10D 0 0.00000 0.25467 0.00000 0.00000 -0.36097
74 10D+1 0.00000 0.00000 0.00000 0.32932 0.00000
75 10D-1 -0.25507 0.00000 0.32932 0.00000 0.00000
76 10D+2 -0.00756 0.00000 -0.00400 0.00000 0.00000
77 10D-2 0.00000 0.00000 0.00000 -0.00400 0.00000
78 11D 0 0.00000 -2.14278 0.00000 0.00000 1.71752
79 11D+1 0.00000 0.00000 0.00000 -1.50907 0.00000
80 11D-1 1.07539 0.00000 -1.50907 0.00000 0.00000
81 11D+2 1.60377 0.00000 -1.67867 0.00000 0.00000
82 11D-2 0.00000 0.00000 0.00000 -1.67867 0.00000
83 12D 0 0.00000 -0.15300 0.00000 0.00000 0.25772
84 12D+1 0.00000 0.00000 0.00000 -0.67562 0.00000
85 12D-1 0.41028 0.00000 -0.67562 0.00000 0.00000
86 12D+2 0.10557 0.00000 -0.09111 0.00000 0.00000
87 12D-2 0.00000 0.00000 0.00000 -0.09111 0.00000
88 13F 0 0.00000 -0.26413 0.00000 0.00000 0.25599
89 13F+1 0.00000 0.00000 0.00000 0.14814 0.00000
90 13F-1 -0.04557 0.00000 0.14814 0.00000 0.00000
91 13F+2 -0.22389 0.00000 0.06415 0.00000 0.00000
92 13F-2 0.00000 0.00000 0.00000 0.06415 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
94 13F-3 0.00000 0.32682 0.00000 0.00000 -0.31898
95 14F 0 0.00000 -0.68439 0.00000 0.00000 0.22661
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98 14F+2 -0.24570 0.00000 0.33666 0.00000 0.00000
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100 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
101 14F-3 0.00000 0.41300 0.00000 0.00000 -1.06560
102 15G 0 0.00000 0.64805 0.00000 0.00000 -0.59128
103 15G+1 0.00000 0.00000 0.00000 0.22576 0.00000
104 15G-1 -0.37371 0.00000 0.22576 0.00000 0.00000
105 15G+2 -0.10063 0.00000 0.39485 0.00000 0.00000
106 15G-2 0.00000 0.00000 0.00000 0.39485 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
108 15G-3 0.00000 0.35872 0.00000 0.00000 -0.21721
109 15G+4 0.63240 0.00000 -0.63378 0.00000 0.00000
110 15G-4 0.00000 0.00000 0.00000 0.63378 0.00000
111 3 H 1S -0.14608 -0.11264 -0.13095 0.00000 0.02710
112 2S -0.28793 -0.00284 -0.28151 0.00000 0.42149
113 3S -0.21180 0.38600 -0.03869 0.00000 -0.46350
114 4S 0.03567 0.08173 -0.00185 0.00000 -0.02216
115 5PX 0.00000 0.00000 0.00000 0.54586 0.00000
116 5PY 0.38226 0.06445 0.36781 0.00000 -0.33626
117 5PZ 0.41059 0.51163 0.45064 0.00000 0.33346
118 6PX 0.00000 0.00000 0.00000 -1.44005 0.00000
119 6PY -0.24386 0.10177 -0.16407 0.00000 0.59189
120 6PZ -0.62640 -1.25960 -0.90445 0.00000 -1.02916
121 7PX 0.00000 0.00000 0.00000 -0.54324 0.00000
122 7PY -0.03860 -0.12738 -0.14037 0.00000 0.36186
123 7PZ -0.21638 -0.39455 -0.39519 0.00000 -0.22305
124 8D 0 0.04914 0.19785 0.17095 0.00000 0.14546
125 8D+1 0.00000 0.00000 0.00000 0.28489 0.00000
126 8D-1 -0.15350 0.16262 -0.01043 0.00000 0.25824
127 8D+2 0.19776 0.20957 0.28306 0.00000 0.10554
128 8D-2 0.00000 0.00000 0.00000 0.22338 0.00000
129 9D 0 0.07894 0.39957 0.07437 0.00000 0.63108
130 9D+1 0.00000 0.00000 0.00000 0.14840 0.00000
131 9D-1 0.58164 0.73050 0.74111 0.00000 0.31599
132 9D+2 -0.28361 -0.06981 -0.25100 0.00000 0.32699
133 9D-2 0.00000 0.00000 0.00000 0.98341 0.00000
134 10F 0 0.13539 0.16784 0.24241 0.00000 -0.03177
135 10F+1 0.00000 0.00000 0.00000 0.01372 0.00000
136 10F-1 -0.12596 -0.40949 -0.19006 0.00000 -0.46163
137 10F+2 0.14658 0.24096 0.23930 0.00000 0.11840
138 10F-2 0.00000 0.00000 0.00000 -0.30508 0.00000
139 10F+3 0.00000 0.00000 0.00000 0.47056 0.00000
140 10F-3 0.09177 -0.03478 0.00809 0.00000 -0.16046
141 4 H 1S 0.07304 -0.11264 0.06547 0.11341 0.02710
142 2S 0.14396 -0.00284 0.14075 0.24379 0.42149
143 3S 0.10590 0.38600 0.01934 0.03351 -0.46350
144 4S -0.01784 0.08173 0.00093 0.00160 -0.02216
145 5PX -0.09428 -0.05581 -0.07710 0.41232 0.29121
146 5PY 0.54556 -0.03222 0.50134 -0.07710 0.16813
147 5PZ -0.20529 0.51163 -0.22532 -0.39027 0.33346
148 6PX 0.55418 -0.08814 0.55252 -0.48306 -0.51259
149 6PY -1.20372 -0.05089 -1.12105 0.55252 -0.29594
150 6PZ 0.31320 -1.25960 0.45223 0.78328 -1.02916
151 7PX 0.17610 0.11032 0.17445 -0.24109 -0.31338
152 7PY -0.34361 0.06369 -0.44252 0.17445 -0.18093
153 7PZ 0.10819 -0.39455 0.19760 0.34224 -0.22305
154 8D 0 -0.02457 0.19785 -0.08548 -0.14805 0.14546
155 8D+1 -0.16741 -0.14083 -0.12788 0.06340 -0.22364
156 8D-1 0.13646 -0.08131 0.21106 -0.12788 -0.12912
157 8D+2 0.28396 -0.10479 0.23830 0.02584 -0.05277
158 8D-2 -0.04977 -0.18149 0.02584 0.26814 -0.09140
159 9D 0 -0.03947 0.39957 -0.03718 -0.06440 0.63108
160 9D+1 0.16428 -0.63263 0.25665 0.59293 -0.27366
161 9D-1 0.29710 -0.36525 0.29658 0.25665 -0.15800
162 9D+2 0.62337 0.03490 0.67481 -0.53451 -0.16349
163 9D-2 -0.52364 0.06046 -0.53451 0.05760 -0.28318
164 10F 0 -0.06770 0.16784 -0.12121 -0.20994 -0.03177
165 10F+1 -0.07916 0.35463 -0.08824 -0.13911 0.39978
166 10F-1 0.01115 0.20475 -0.03723 -0.08824 0.23081
167 10F+2 -0.19239 -0.12048 -0.16899 0.23572 -0.05920
168 10F-2 0.19571 -0.20868 0.23572 0.10320 -0.10253
169 10F+3 0.43956 0.00000 0.40752 -0.23528 0.00000
170 10F-3 -0.04588 -0.03478 -0.00404 -0.00700 -0.16046
171 5 H 1S 0.07304 -0.11264 0.06547 -0.11341 0.02710
172 2S 0.14396 -0.00284 0.14075 -0.24379 0.42149
173 3S 0.10590 0.38600 0.01934 -0.03351 -0.46350
174 4S -0.01784 0.08173 0.00093 -0.00160 -0.02216
175 5PX 0.09428 0.05581 0.07710 0.41232 -0.29121
176 5PY 0.54556 -0.03222 0.50134 0.07710 0.16813
177 5PZ -0.20529 0.51163 -0.22532 0.39027 0.33346
178 6PX -0.55418 0.08814 -0.55252 -0.48306 0.51259
179 6PY -1.20372 -0.05089 -1.12105 -0.55252 -0.29594
180 6PZ 0.31320 -1.25960 0.45223 -0.78328 -1.02916
181 7PX -0.17610 -0.11032 -0.17445 -0.24109 0.31338
182 7PY -0.34361 0.06369 -0.44252 -0.17445 -0.18093
183 7PZ 0.10819 -0.39455 0.19760 -0.34224 -0.22305
184 8D 0 -0.02457 0.19785 -0.08548 0.14805 0.14546
185 8D+1 0.16741 0.14083 0.12788 0.06340 0.22364
186 8D-1 0.13646 -0.08131 0.21106 0.12788 -0.12912
187 8D+2 0.28396 -0.10479 0.23830 -0.02584 -0.05277
188 8D-2 0.04977 0.18149 -0.02584 0.26814 0.09140
189 9D 0 -0.03947 0.39957 -0.03718 0.06440 0.63108
190 9D+1 -0.16428 0.63263 -0.25665 0.59293 0.27366
191 9D-1 0.29710 -0.36525 0.29658 -0.25665 -0.15800
192 9D+2 0.62337 0.03490 0.67481 0.53451 -0.16349
193 9D-2 0.52364 -0.06046 0.53451 0.05760 0.28318
194 10F 0 -0.06770 0.16784 -0.12121 0.20994 -0.03177
195 10F+1 0.07916 -0.35463 0.08824 -0.13911 -0.39978
196 10F-1 0.01115 0.20475 -0.03723 0.08824 0.23081
197 10F+2 -0.19239 -0.12048 -0.16899 -0.23572 -0.05920
198 10F-2 -0.19571 0.20868 -0.23572 0.10320 0.10253
199 10F+3 -0.43956 0.00000 -0.40752 -0.23528 0.00000
200 10F-3 -0.04588 -0.03478 -0.00404 0.00700 -0.16046
201 6 H 1S -0.14608 0.11264 0.13095 0.00000 0.02710
202 2S -0.28793 0.00284 0.28151 0.00000 0.42149
203 3S -0.21180 -0.38600 0.03869 0.00000 -0.46350
204 4S 0.03567 -0.08173 0.00185 0.00000 -0.02216
205 5PX 0.00000 0.00000 0.00000 0.54586 0.00000
206 5PY -0.38226 0.06445 0.36781 0.00000 0.33626
207 5PZ -0.41059 0.51163 0.45064 0.00000 -0.33346
208 6PX 0.00000 0.00000 0.00000 -1.44005 0.00000
209 6PY 0.24386 0.10177 -0.16407 0.00000 -0.59189
210 6PZ 0.62640 -1.25960 -0.90445 0.00000 1.02916
211 7PX 0.00000 0.00000 0.00000 -0.54324 0.00000
212 7PY 0.03860 -0.12738 -0.14037 0.00000 -0.36186
213 7PZ 0.21638 -0.39455 -0.39519 0.00000 0.22305
214 8D 0 0.04914 -0.19785 -0.17095 0.00000 0.14546
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218 8D-2 0.00000 0.00000 0.00000 -0.22338 0.00000
219 9D 0 0.07894 -0.39957 -0.07437 0.00000 0.63108
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221 9D-1 0.58164 -0.73050 -0.74111 0.00000 0.31599
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223 9D-2 0.00000 0.00000 0.00000 -0.98341 0.00000
224 10F 0 -0.13539 0.16784 0.24241 0.00000 0.03177
225 10F+1 0.00000 0.00000 0.00000 0.01372 0.00000
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228 10F-2 0.00000 0.00000 0.00000 -0.30508 0.00000
229 10F+3 0.00000 0.00000 0.00000 0.47056 0.00000
230 10F-3 -0.09177 -0.03478 0.00809 0.00000 0.16046
231 7 H 1S 0.07304 0.11264 -0.06547 0.11341 0.02710
232 2S 0.14396 0.00284 -0.14075 0.24379 0.42149
233 3S 0.10590 -0.38600 -0.01934 0.03351 -0.46350
234 4S -0.01784 -0.08173 -0.00093 0.00160 -0.02216
235 5PX -0.09428 0.05581 0.07710 0.41232 0.29121
236 5PY -0.54556 -0.03222 0.50134 0.07710 -0.16813
237 5PZ 0.20529 0.51163 -0.22532 0.39027 -0.33346
238 6PX 0.55418 0.08814 -0.55252 -0.48306 -0.51259
239 6PY 1.20372 -0.05089 -1.12105 -0.55252 0.29594
240 6PZ -0.31320 -1.25960 0.45223 -0.78328 1.02916
241 7PX 0.17610 -0.11032 -0.17445 -0.24109 -0.31338
242 7PY 0.34361 0.06369 -0.44252 -0.17445 0.18093
243 7PZ -0.10819 -0.39455 0.19760 -0.34224 0.22305
244 8D 0 -0.02457 -0.19785 0.08548 -0.14805 0.14546
245 8D+1 0.16741 -0.14083 -0.12788 -0.06340 0.22364
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247 8D+2 0.28396 0.10479 -0.23830 0.02584 -0.05277
248 8D-2 0.04977 -0.18149 0.02584 -0.26814 0.09140
249 9D 0 -0.03947 -0.39957 0.03718 -0.06440 0.63108
250 9D+1 -0.16428 -0.63263 0.25665 -0.59293 0.27366
251 9D-1 0.29710 0.36525 -0.29658 0.25665 -0.15800
252 9D+2 0.62337 -0.03490 -0.67481 -0.53451 -0.16349
253 9D-2 0.52364 0.06046 -0.53451 -0.05760 0.28318
254 10F 0 0.06770 0.16784 -0.12121 0.20994 0.03177
255 10F+1 -0.07916 -0.35463 0.08824 -0.13911 0.39978
256 10F-1 -0.01115 0.20475 -0.03723 0.08824 -0.23081
257 10F+2 0.19239 -0.12048 -0.16899 -0.23572 0.05920
258 10F-2 0.19571 0.20868 -0.23572 0.10320 -0.10253
259 10F+3 0.43956 0.00000 -0.40752 -0.23528 0.00000
260 10F-3 0.04588 -0.03478 -0.00404 0.00700 0.16046
261 8 H 1S 0.07304 0.11264 -0.06547 -0.11341 0.02710
262 2S 0.14396 0.00284 -0.14075 -0.24379 0.42149
263 3S 0.10590 -0.38600 -0.01934 -0.03351 -0.46350
264 4S -0.01784 -0.08173 -0.00093 -0.00160 -0.02216
265 5PX 0.09428 -0.05581 -0.07710 0.41232 -0.29121
266 5PY -0.54556 -0.03222 0.50134 -0.07710 -0.16813
267 5PZ 0.20529 0.51163 -0.22532 -0.39027 -0.33346
268 6PX -0.55418 -0.08814 0.55252 -0.48306 0.51259
269 6PY 1.20372 -0.05089 -1.12105 0.55252 0.29594
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272 7PY 0.34361 0.06369 -0.44252 0.17445 0.18093
273 7PZ -0.10819 -0.39455 0.19760 0.34224 0.22305
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275 8D+1 -0.16741 0.14083 0.12788 -0.06340 -0.22364
276 8D-1 0.13646 0.08131 -0.21106 0.12788 -0.12912
277 8D+2 0.28396 0.10479 -0.23830 -0.02584 -0.05277
278 8D-2 -0.04977 0.18149 -0.02584 -0.26814 -0.09140
279 9D 0 -0.03947 -0.39957 0.03718 0.06440 0.63108
280 9D+1 0.16428 0.63263 -0.25665 -0.59293 -0.27366
281 9D-1 0.29710 0.36525 -0.29658 -0.25665 -0.15800
282 9D+2 0.62337 -0.03490 -0.67481 0.53451 -0.16349
283 9D-2 -0.52364 -0.06046 0.53451 -0.05760 -0.28318
284 10F 0 0.06770 0.16784 -0.12121 -0.20994 0.03177
285 10F+1 0.07916 0.35463 -0.08824 -0.13911 -0.39978
286 10F-1 -0.01115 0.20475 -0.03723 -0.08824 -0.23081
287 10F+2 0.19239 -0.12048 -0.16899 0.23572 0.05920
288 10F-2 -0.19571 -0.20868 0.23572 0.10320 0.10253
289 10F+3 -0.43956 0.00000 0.40752 -0.23528 0.00000
290 10F-3 0.04588 -0.03478 -0.00404 -0.00700 0.16046
271 272 273 274 275
(EG)--V (EG)--V (EU)--V (EU)--V (A2U)--V
Eigenvalues -- 10.45252 10.45252 10.46373 10.46373 10.62001
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3 3S 0.00000 0.00000 0.00000 0.00000 0.14770
4 4S 0.00000 0.00000 0.00000 0.00000 9.03672
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9 7PX 0.80790 0.00000 1.13327 0.00000 0.00000
10 7PY 0.00000 -0.80790 0.00000 1.13327 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.00000 1.29751
12 8PX 0.15709 0.00000 -0.30723 0.00000 0.00000
13 8PY 0.00000 -0.15709 0.00000 -0.30723 0.00000
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.81499
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24 11D+1 1.18966 0.00000 0.52092 0.00000 0.00000
25 11D-1 0.00000 -1.18966 0.00000 0.52092 0.00000
26 11D+2 0.00000 -1.78855 0.00000 1.77689 0.00000
27 11D-2 1.78855 0.00000 1.77689 0.00000 0.00000
28 12D 0 0.00000 0.00000 0.00000 0.00000 0.35786
29 12D+1 1.42744 0.00000 -0.23838 0.00000 0.00000
30 12D-1 0.00000 -1.42744 0.00000 -0.23838 0.00000
31 12D+2 0.00000 -0.82448 0.00000 1.27931 0.00000
32 12D-2 0.82448 0.00000 1.27931 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00000 -0.02839
34 13F+1 0.54866 0.00000 0.24664 0.00000 0.00000
35 13F-1 0.00000 -0.54866 0.00000 0.24664 0.00000
36 13F+2 0.00000 0.06325 0.00000 0.13777 0.00000
37 13F-2 -0.06325 0.00000 0.13777 0.00000 0.00000
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39 13F-3 0.00000 0.00000 0.00000 0.00000 0.06671
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41 14F+1 0.70329 0.00000 0.50487 0.00000 0.00000
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43 14F+2 0.00000 -0.39603 0.00000 1.15941 0.00000
44 14F-2 0.39603 0.00000 1.15941 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.09912
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48 15G+1 0.17615 0.00000 0.25054 0.00000 0.00000
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50 15G+2 0.00000 0.36430 0.00000 -0.23604 0.00000
51 15G-2 -0.36430 0.00000 -0.23604 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
53 15G-3 0.00000 0.00000 0.00000 0.00000 0.18173
54 15G+4 0.00000 0.31042 0.00000 -0.15073 0.00000
55 15G-4 0.31042 0.00000 0.15073 0.00000 0.00000
56 2 C 1S 0.00000 0.00000 0.00000 0.00000 0.09251
57 2S 0.00000 0.00000 0.00000 0.00000 -0.14127
58 3S 0.00000 0.00000 0.00000 0.00000 -0.14770
59 4S 0.00000 0.00000 0.00000 0.00000 -9.03672
60 5S 0.00000 0.00000 0.00000 0.00000 -4.30401
61 6PX -0.12098 0.00000 0.08028 0.00000 0.00000
62 6PY 0.00000 0.12098 0.00000 0.08028 0.00000
63 6PZ 0.00000 0.00000 0.00000 0.00000 -0.24549
64 7PX -0.80790 0.00000 1.13327 0.00000 0.00000
65 7PY 0.00000 0.80790 0.00000 1.13327 0.00000
66 7PZ 0.00000 0.00000 0.00000 0.00000 1.29751
67 8PX -0.15709 0.00000 -0.30723 0.00000 0.00000
68 8PY 0.00000 0.15709 0.00000 -0.30723 0.00000
69 8PZ 0.00000 0.00000 0.00000 0.00000 0.81499
70 9PX -0.16115 0.00000 0.08895 0.00000 0.00000
71 9PY 0.00000 0.16115 0.00000 0.08895 0.00000
72 9PZ 0.00000 0.00000 0.00000 0.00000 -0.50901
73 10D 0 0.00000 0.00000 0.00000 0.00000 0.30556
74 10D+1 0.02662 0.00000 -0.22662 0.00000 0.00000
75 10D-1 0.00000 -0.02662 0.00000 -0.22662 0.00000
76 10D+2 0.00000 0.48671 0.00000 0.57495 0.00000
77 10D-2 -0.48671 0.00000 0.57495 0.00000 0.00000
78 11D 0 0.00000 0.00000 0.00000 0.00000 -0.42072
79 11D+1 1.18966 0.00000 -0.52092 0.00000 0.00000
80 11D-1 0.00000 -1.18966 0.00000 -0.52092 0.00000
81 11D+2 0.00000 -1.78855 0.00000 -1.77689 0.00000
82 11D-2 1.78855 0.00000 -1.77689 0.00000 0.00000
83 12D 0 0.00000 0.00000 0.00000 0.00000 -0.35786
84 12D+1 1.42744 0.00000 0.23838 0.00000 0.00000
85 12D-1 0.00000 -1.42744 0.00000 0.23838 0.00000
86 12D+2 0.00000 -0.82448 0.00000 -1.27931 0.00000
87 12D-2 0.82448 0.00000 -1.27931 0.00000 0.00000
88 13F 0 0.00000 0.00000 0.00000 0.00000 -0.02839
89 13F+1 -0.54866 0.00000 0.24664 0.00000 0.00000
90 13F-1 0.00000 0.54866 0.00000 0.24664 0.00000
91 13F+2 0.00000 -0.06325 0.00000 0.13777 0.00000
92 13F-2 0.06325 0.00000 0.13777 0.00000 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
94 13F-3 0.00000 0.00000 0.00000 0.00000 0.06671
95 14F 0 0.00000 0.00000 0.00000 0.00000 -0.44995
96 14F+1 -0.70329 0.00000 0.50487 0.00000 0.00000
97 14F-1 0.00000 0.70329 0.00000 0.50487 0.00000
98 14F+2 0.00000 0.39603 0.00000 1.15941 0.00000
99 14F-2 -0.39603 0.00000 1.15941 0.00000 0.00000
100 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
101 14F-3 0.00000 0.00000 0.00000 0.00000 0.09912
102 15G 0 0.00000 0.00000 0.00000 0.00000 0.25807
103 15G+1 0.17615 0.00000 -0.25054 0.00000 0.00000
104 15G-1 0.00000 -0.17615 0.00000 -0.25054 0.00000
105 15G+2 0.00000 0.36430 0.00000 0.23604 0.00000
106 15G-2 -0.36430 0.00000 0.23604 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
108 15G-3 0.00000 0.00000 0.00000 0.00000 -0.18173
109 15G+4 0.00000 0.31042 0.00000 0.15073 0.00000
110 15G-4 0.31042 0.00000 -0.15073 0.00000 0.00000
111 3 H 1S 0.00000 -0.08412 0.00000 0.12968 0.44760
112 2S 0.00000 -0.96782 0.00000 1.39463 -0.53813
113 3S 0.00000 1.82241 0.00000 -0.62450 -3.17753
114 4S 0.00000 0.06717 0.00000 -0.06398 -0.16559
115 5PX 0.37625 0.00000 0.48144 0.00000 0.00000
116 5PY 0.00000 0.75467 0.00000 -0.87231 -0.71672
117 5PZ 0.00000 -0.21183 0.00000 -0.13855 -0.13073
118 6PX -0.74620 0.00000 -1.08703 0.00000 0.00000
119 6PY 0.00000 -0.86024 0.00000 0.74894 1.39664
120 6PZ 0.00000 1.02952 0.00000 -0.27616 0.13664
121 7PX -0.78279 0.00000 -0.60444 0.00000 0.00000
122 7PY 0.00000 -1.17541 0.00000 0.67259 1.28329
123 7PZ 0.00000 0.35824 0.00000 0.20472 0.33571
124 8D 0 0.00000 -0.08867 0.00000 -0.00761 0.04815
125 8D+1 -0.04217 0.00000 -0.01760 0.00000 0.00000
126 8D-1 0.00000 -0.39150 0.00000 0.32717 0.12758
127 8D+2 0.00000 0.10327 0.00000 -0.13115 -0.04465
128 8D-2 -0.08224 0.00000 0.05670 0.00000 0.00000
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130 9D+1 0.10198 0.00000 0.12525 0.00000 0.00000
131 9D-1 0.00000 -0.21377 0.00000 -0.25162 -0.28195
132 9D+2 0.00000 -0.76358 0.00000 0.68913 0.60794
133 9D-2 0.72772 0.00000 0.76423 0.00000 0.00000
134 10F 0 0.00000 0.01636 0.00000 -0.02663 -0.05683
135 10F+1 0.06694 0.00000 0.13101 0.00000 0.00000
136 10F-1 0.00000 0.48519 0.00000 -0.25291 -0.19331
137 10F+2 0.00000 -0.08429 0.00000 -0.09923 -0.08153
138 10F-2 -0.03972 0.00000 -0.07386 0.00000 0.00000
139 10F+3 0.28641 0.00000 0.34924 0.00000 0.00000
140 10F-3 0.00000 0.27812 0.00000 -0.25906 -0.14123
141 4 H 1S -0.07285 0.04206 -0.11231 -0.06484 0.44760
142 2S -0.83816 0.48391 -1.20779 -0.69732 -0.53813
143 3S 1.57825 -0.91120 0.54083 0.31225 -3.17753
144 4S 0.05817 -0.03358 0.05541 0.03199 -0.16559
145 5PX -0.47194 0.48970 -0.53387 -0.58619 0.62070
146 5PY -0.48970 -0.09352 -0.58619 0.14301 0.35836
147 5PZ -0.18345 0.10591 0.11999 0.06928 -0.13073
148 6PX 0.45863 -0.69561 0.28995 0.79500 -1.20952
149 6PY 0.69561 0.34459 0.79500 -0.62804 -0.69832
150 6PZ 0.89159 -0.51476 0.23917 0.13808 0.13664
151 7PX 0.68586 -0.84793 0.35333 0.55297 -1.11136
152 7PY 0.84793 0.29324 0.55297 -0.28518 -0.64164
153 7PZ 0.31025 -0.17912 -0.17729 -0.10236 0.33571
154 8D 0 -0.07679 0.04434 0.00659 0.00380 0.04815
155 8D+1 0.28308 -0.18778 0.24098 0.14929 -0.11049
156 8D-1 0.18778 -0.06625 0.14929 0.06860 -0.06379
157 8D+2 -0.00910 0.08750 -0.08134 0.00974 0.02232
158 8D-2 -0.09801 0.00910 -0.08419 -0.08134 0.03867
159 9D 0 -0.65194 0.37640 -0.35825 -0.20684 0.37186
160 9D+1 0.18583 -0.04841 -0.15740 -0.16319 0.24418
161 9D-1 0.04841 -0.12993 -0.16319 0.03103 0.14098
162 9D+2 0.01553 -0.73669 -0.03252 0.74546 -0.30397
163 9D-2 0.75462 -0.01553 0.70790 -0.03252 -0.52649
164 10F 0 0.01416 -0.00818 0.02306 0.01331 -0.05683
165 10F+1 -0.34715 0.23908 -0.15693 -0.16624 0.16741
166 10F-1 -0.23908 0.07109 -0.16624 0.03503 0.09666
167 10F+2 0.05370 0.00872 -0.01098 -0.08021 0.04076
168 10F-2 0.05329 -0.05370 -0.09289 -0.01098 0.07060
169 10F+3 -0.14321 -0.24804 -0.17462 0.30245 0.00000
170 10F-3 0.24086 -0.13906 0.22435 0.12953 -0.14123
171 5 H 1S 0.07285 0.04206 0.11231 -0.06484 0.44760
172 2S 0.83816 0.48391 1.20779 -0.69732 -0.53813
173 3S -1.57825 -0.91120 -0.54083 0.31225 -3.17753
174 4S -0.05817 -0.03358 -0.05541 0.03199 -0.16559
175 5PX -0.47194 -0.48970 -0.53387 0.58619 -0.62070
176 5PY 0.48970 -0.09352 0.58619 0.14301 0.35836
177 5PZ 0.18345 0.10591 -0.11999 0.06928 -0.13073
178 6PX 0.45863 0.69561 0.28995 -0.79500 1.20952
179 6PY -0.69561 0.34459 -0.79500 -0.62804 -0.69832
180 6PZ -0.89159 -0.51476 -0.23917 0.13808 0.13664
181 7PX 0.68586 0.84793 0.35333 -0.55297 1.11136
182 7PY -0.84793 0.29324 -0.55297 -0.28518 -0.64164
183 7PZ -0.31025 -0.17912 0.17729 -0.10236 0.33571
184 8D 0 0.07679 0.04434 -0.00659 0.00380 0.04815
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186 8D-1 -0.18778 -0.06625 -0.14929 0.06860 -0.06379
187 8D+2 0.00910 0.08750 0.08134 0.00974 0.02232
188 8D-2 -0.09801 -0.00910 -0.08419 0.08134 -0.03867
189 9D 0 0.65194 0.37640 0.35825 -0.20684 0.37186
190 9D+1 0.18583 0.04841 -0.15740 0.16319 -0.24418
191 9D-1 -0.04841 -0.12993 0.16319 0.03103 0.14098
192 9D+2 -0.01553 -0.73669 0.03252 0.74546 -0.30397
193 9D-2 0.75462 0.01553 0.70790 0.03252 0.52649
194 10F 0 -0.01416 -0.00818 -0.02306 0.01331 -0.05683
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196 10F-1 0.23908 0.07109 0.16624 0.03503 0.09666
197 10F+2 -0.05370 0.00872 0.01098 -0.08021 0.04076
198 10F-2 0.05329 0.05370 -0.09289 0.01098 -0.07060
199 10F+3 -0.14321 0.24804 -0.17462 -0.30245 0.00000
200 10F-3 -0.24086 -0.13906 -0.22435 0.12953 -0.14123
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202 2S 0.00000 -0.96782 0.00000 -1.39463 0.53813
203 3S 0.00000 1.82241 0.00000 0.62450 3.17753
204 4S 0.00000 0.06717 0.00000 0.06398 0.16559
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207 5PZ 0.00000 0.21183 0.00000 -0.13855 -0.13073
208 6PX 0.74620 0.00000 -1.08703 0.00000 0.00000
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210 6PZ 0.00000 -1.02952 0.00000 -0.27616 0.13664
211 7PX 0.78279 0.00000 -0.60444 0.00000 0.00000
212 7PY 0.00000 1.17541 0.00000 0.67259 1.28329
213 7PZ 0.00000 -0.35824 0.00000 0.20472 0.33571
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222 9D+2 0.00000 -0.76358 0.00000 -0.68913 -0.60794
223 9D-2 0.72772 0.00000 -0.76423 0.00000 0.00000
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228 10F-2 0.03972 0.00000 -0.07386 0.00000 0.00000
229 10F+3 -0.28641 0.00000 0.34924 0.00000 0.00000
230 10F-3 0.00000 -0.27812 0.00000 -0.25906 -0.14123
231 7 H 1S 0.07285 0.04206 -0.11231 0.06484 -0.44760
232 2S 0.83816 0.48391 -1.20779 0.69732 0.53813
233 3S -1.57825 -0.91120 0.54083 -0.31225 3.17753
234 4S -0.05817 -0.03358 0.05541 -0.03199 0.16559
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237 5PZ -0.18345 -0.10591 -0.11999 0.06928 -0.13073
238 6PX -0.45863 -0.69561 0.28995 -0.79500 1.20952
239 6PY 0.69561 -0.34459 -0.79500 -0.62804 -0.69832
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241 7PX -0.68586 -0.84793 0.35333 -0.55297 1.11136
242 7PY 0.84793 -0.29324 -0.55297 -0.28518 -0.64164
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251 9D-1 -0.04841 -0.12993 -0.16319 -0.03103 -0.14098
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253 9D-2 0.75462 0.01553 -0.70790 -0.03252 -0.52649
254 10F 0 0.01416 0.00818 -0.02306 0.01331 -0.05683
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257 10F+2 0.05370 -0.00872 0.01098 -0.08021 0.04076
258 10F-2 -0.05329 -0.05370 -0.09289 0.01098 -0.07060
259 10F+3 0.14321 -0.24804 -0.17462 -0.30245 0.00000
260 10F-3 0.24086 0.13906 -0.22435 0.12953 -0.14123
261 8 H 1S -0.07285 0.04206 0.11231 0.06484 -0.44760
262 2S -0.83816 0.48391 1.20779 0.69732 0.53813
263 3S 1.57825 -0.91120 -0.54083 -0.31225 3.17753
264 4S 0.05817 -0.03358 -0.05541 -0.03199 0.16559
265 5PX 0.47194 -0.48970 -0.53387 -0.58619 0.62070
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267 5PZ 0.18345 -0.10591 0.11999 0.06928 -0.13073
268 6PX -0.45863 0.69561 0.28995 0.79500 -1.20952
269 6PY -0.69561 -0.34459 0.79500 -0.62804 -0.69832
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282 9D+2 0.01553 -0.73669 0.03252 -0.74546 0.30397
283 9D-2 0.75462 -0.01553 -0.70790 0.03252 0.52649
284 10F 0 -0.01416 0.00818 0.02306 0.01331 -0.05683
285 10F+1 0.34715 -0.23908 -0.15693 -0.16624 0.16741
286 10F-1 0.23908 -0.07109 -0.16624 0.03503 0.09666
287 10F+2 -0.05370 -0.00872 -0.01098 -0.08021 0.04076
288 10F-2 -0.05329 0.05370 -0.09289 -0.01098 0.07060
289 10F+3 0.14321 0.24804 -0.17462 0.30245 0.00000
290 10F-3 -0.24086 0.13906 0.22435 0.12953 -0.14123
276 277 278 279 280
(A1G)--V (EG)--V (EG)--V (A1U)--V (EU)--V
Eigenvalues -- 10.72113 10.74740 10.74740 10.75685 10.87304
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2 2S 0.17098 0.00000 0.00000 0.00000 0.00000
3 3S 1.00321 0.00000 0.00000 0.00000 0.00000
4 4S 5.59425 0.00000 0.00000 0.00000 0.00000
5 5S 2.89430 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 -0.17088 0.00000 0.00000 -0.29293
7 6PY 0.00000 0.00000 0.17088 0.00000 0.00000
8 6PZ 0.10837 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 1.53408 0.00000 0.00000 0.79931
10 7PY 0.00000 0.00000 -1.53408 0.00000 0.00000
11 7PZ 0.63485 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 0.57815 0.00000 0.00000 1.38371
13 8PY 0.00000 0.00000 -0.57815 0.00000 0.00000
14 8PZ 0.45505 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 0.09346 0.00000 0.00000 0.27995
16 9PY 0.00000 0.00000 -0.09346 0.00000 0.00000
17 9PZ 0.03719 0.00000 0.00000 0.00000 0.00000
18 10D 0 -0.15955 0.00000 0.00000 0.00000 0.00000
19 10D+1 0.00000 0.33011 0.00000 0.00000 0.24172
20 10D-1 0.00000 0.00000 -0.33011 0.00000 0.00000
21 10D+2 0.00000 0.00000 0.48872 0.00000 0.00000
22 10D-2 0.00000 -0.48872 0.00000 0.00000 -0.23745
23 11D 0 -0.82637 0.00000 0.00000 0.00000 0.00000
24 11D+1 0.00000 -0.65708 0.00000 0.00000 -1.09635
25 11D-1 0.00000 0.00000 0.65708 0.00000 0.00000
26 11D+2 0.00000 0.00000 -0.96550 0.00000 0.00000
27 11D-2 0.00000 0.96550 0.00000 0.00000 0.87011
28 12D 0 -0.18507 0.00000 0.00000 0.00000 0.00000
29 12D+1 0.00000 1.11517 0.00000 0.00000 0.19033
30 12D-1 0.00000 0.00000 -1.11517 0.00000 0.00000
31 12D+2 0.00000 0.00000 -0.42942 0.00000 0.00000
32 12D-2 0.00000 0.42942 0.00000 0.00000 -0.28517
33 13F 0 0.17075 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 -0.46580 0.00000 0.00000 -0.46507
35 13F-1 0.00000 0.00000 0.46580 0.00000 0.00000
36 13F+2 0.00000 0.00000 -0.50068 0.00000 0.00000
37 13F-2 0.00000 0.50068 0.00000 0.00000 0.40918
38 13F+3 0.00000 0.00000 0.00000 0.92719 0.00000
39 13F-3 -0.06103 0.00000 0.00000 0.00000 0.00000
40 14F 0 0.03324 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 -0.73171 0.00000 0.00000 -1.05028
42 14F-1 0.00000 0.00000 0.73171 0.00000 0.00000
43 14F+2 0.00000 0.00000 -1.00533 0.00000 0.00000
44 14F-2 0.00000 1.00533 0.00000 0.00000 1.38992
45 14F+3 0.00000 0.00000 0.00000 1.08345 0.00000
46 14F-3 -0.02135 0.00000 0.00000 0.00000 0.00000
47 15G 0 0.35949 0.00000 0.00000 0.00000 0.00000
48 15G+1 0.00000 0.24955 0.00000 0.00000 -0.10960
49 15G-1 0.00000 0.00000 -0.24955 0.00000 0.00000
50 15G+2 0.00000 0.00000 -0.47115 0.00000 0.00000
51 15G-2 0.00000 0.47115 0.00000 0.00000 0.84740
52 15G+3 0.00000 0.00000 0.00000 0.80351 0.00000
53 15G-3 0.57788 0.00000 0.00000 0.00000 0.00000
54 15G+4 0.00000 0.00000 -0.30003 0.00000 0.00000
55 15G-4 0.00000 -0.30003 0.00000 0.00000 -0.52814
56 2 C 1S -0.05278 0.00000 0.00000 0.00000 0.00000
57 2S 0.17098 0.00000 0.00000 0.00000 0.00000
58 3S 1.00321 0.00000 0.00000 0.00000 0.00000
59 4S 5.59425 0.00000 0.00000 0.00000 0.00000
60 5S 2.89430 0.00000 0.00000 0.00000 0.00000
61 6PX 0.00000 0.17088 0.00000 0.00000 -0.29293
62 6PY 0.00000 0.00000 -0.17088 0.00000 0.00000
63 6PZ -0.10837 0.00000 0.00000 0.00000 0.00000
64 7PX 0.00000 -1.53408 0.00000 0.00000 0.79931
65 7PY 0.00000 0.00000 1.53408 0.00000 0.00000
66 7PZ -0.63485 0.00000 0.00000 0.00000 0.00000
67 8PX 0.00000 -0.57815 0.00000 0.00000 1.38371
68 8PY 0.00000 0.00000 0.57815 0.00000 0.00000
69 8PZ -0.45505 0.00000 0.00000 0.00000 0.00000
70 9PX 0.00000 -0.09346 0.00000 0.00000 0.27995
71 9PY 0.00000 0.00000 0.09346 0.00000 0.00000
72 9PZ -0.03719 0.00000 0.00000 0.00000 0.00000
73 10D 0 -0.15955 0.00000 0.00000 0.00000 0.00000
74 10D+1 0.00000 0.33011 0.00000 0.00000 -0.24172
75 10D-1 0.00000 0.00000 -0.33011 0.00000 0.00000
76 10D+2 0.00000 0.00000 0.48872 0.00000 0.00000
77 10D-2 0.00000 -0.48872 0.00000 0.00000 0.23745
78 11D 0 -0.82637 0.00000 0.00000 0.00000 0.00000
79 11D+1 0.00000 -0.65708 0.00000 0.00000 1.09635
80 11D-1 0.00000 0.00000 0.65708 0.00000 0.00000
81 11D+2 0.00000 0.00000 -0.96550 0.00000 0.00000
82 11D-2 0.00000 0.96550 0.00000 0.00000 -0.87011
83 12D 0 -0.18507 0.00000 0.00000 0.00000 0.00000
84 12D+1 0.00000 1.11517 0.00000 0.00000 -0.19033
85 12D-1 0.00000 0.00000 -1.11517 0.00000 0.00000
86 12D+2 0.00000 0.00000 -0.42942 0.00000 0.00000
87 12D-2 0.00000 0.42942 0.00000 0.00000 0.28517
88 13F 0 -0.17075 0.00000 0.00000 0.00000 0.00000
89 13F+1 0.00000 0.46580 0.00000 0.00000 -0.46507
90 13F-1 0.00000 0.00000 -0.46580 0.00000 0.00000
91 13F+2 0.00000 0.00000 0.50068 0.00000 0.00000
92 13F-2 0.00000 -0.50068 0.00000 0.00000 0.40918
93 13F+3 0.00000 0.00000 0.00000 0.92719 0.00000
94 13F-3 0.06103 0.00000 0.00000 0.00000 0.00000
95 14F 0 -0.03324 0.00000 0.00000 0.00000 0.00000
96 14F+1 0.00000 0.73171 0.00000 0.00000 -1.05028
97 14F-1 0.00000 0.00000 -0.73171 0.00000 0.00000
98 14F+2 0.00000 0.00000 1.00533 0.00000 0.00000
99 14F-2 0.00000 -1.00533 0.00000 0.00000 1.38992
100 14F+3 0.00000 0.00000 0.00000 1.08345 0.00000
101 14F-3 0.02135 0.00000 0.00000 0.00000 0.00000
102 15G 0 0.35949 0.00000 0.00000 0.00000 0.00000
103 15G+1 0.00000 0.24955 0.00000 0.00000 0.10960
104 15G-1 0.00000 0.00000 -0.24955 0.00000 0.00000
105 15G+2 0.00000 0.00000 -0.47115 0.00000 0.00000
106 15G-2 0.00000 0.47115 0.00000 0.00000 -0.84740
107 15G+3 0.00000 0.00000 0.00000 -0.80351 0.00000
108 15G-3 0.57788 0.00000 0.00000 0.00000 0.00000
109 15G+4 0.00000 0.00000 -0.30003 0.00000 0.00000
110 15G-4 0.00000 -0.30003 0.00000 0.00000 0.52814
111 3 H 1S 0.36063 0.00000 -0.06463 0.00000 0.00000
112 2S -0.02101 0.00000 -1.02075 0.00000 0.00000
113 3S -3.10933 0.00000 2.28068 0.00000 0.00000
114 4S -0.28327 0.00000 0.04880 0.00000 0.00000
115 5PX 0.00000 0.26252 0.00000 -0.22463 0.32339
116 5PY -0.68665 0.00000 0.46633 0.00000 0.00000
117 5PZ -0.34444 0.00000 0.49229 0.00000 0.00000
118 6PX 0.00000 -0.83631 0.00000 0.98727 -1.08577
119 6PY 0.95866 0.00000 -0.09940 0.00000 0.00000
120 6PZ 0.71903 0.00000 -1.17763 0.00000 0.00000
121 7PX 0.00000 -0.55188 0.00000 0.19898 -0.30974
122 7PY 1.08642 0.00000 -1.13651 0.00000 0.00000
123 7PZ 0.80852 0.00000 -0.33587 0.00000 0.00000
124 8D 0 -0.08021 0.00000 0.32609 0.00000 0.00000
125 8D+1 0.00000 0.04632 0.00000 -0.06772 0.05054
126 8D-1 0.01025 0.00000 0.16159 0.00000 0.00000
127 8D+2 -0.21120 0.00000 0.23502 0.00000 0.00000
128 8D-2 0.00000 0.20801 0.00000 -0.46951 0.27905
129 9D 0 0.00221 0.00000 0.05556 0.00000 0.00000
130 9D+1 0.00000 0.13842 0.00000 -0.28291 0.10748
131 9D-1 -0.67229 0.00000 0.85214 0.00000 0.00000
132 9D+2 0.47932 0.00000 -0.34057 0.00000 0.00000
133 9D-2 0.00000 0.55063 0.00000 -0.39206 0.63833
134 10F 0 -0.11907 0.00000 0.13057 0.00000 0.00000
135 10F+1 0.00000 0.07449 0.00000 -0.02266 0.13914
136 10F-1 0.09098 0.00000 -0.29855 0.00000 0.00000
137 10F+2 -0.19808 0.00000 0.41509 0.00000 0.00000
138 10F-2 0.00000 -0.13584 0.00000 0.22367 -0.11224
139 10F+3 0.00000 0.30308 0.00000 -0.33952 0.34778
140 10F-3 -0.03976 0.00000 0.05455 0.00000 0.00000
141 4 H 1S 0.36063 -0.05597 0.03231 0.00000 0.03938
142 2S -0.02101 -0.88400 0.51038 0.00000 -0.43567
143 3S -3.10933 1.97513 -1.14034 0.00000 0.79220
144 4S -0.28327 0.04226 -0.02440 0.00000 0.11772
145 5PX 0.59466 -0.28411 0.31560 0.11232 0.14117
146 5PY 0.34333 -0.31560 -0.08031 -0.19454 -0.10520
147 5PZ -0.34444 0.42634 -0.24614 0.00000 0.30015
148 6PX -0.83022 -0.13453 -0.40517 -0.49364 -0.76398
149 6PY -0.47933 0.40517 0.60238 0.85500 0.18579
150 6PZ 0.71903 -1.01986 0.58882 0.00000 -1.24842
151 7PX -0.94087 0.71441 -0.73110 -0.09949 0.01283
152 7PY -0.54321 0.73110 0.12978 0.17232 0.18623
153 7PZ 0.80852 -0.29087 0.16793 0.00000 -0.29701
154 8D 0 -0.08021 0.28240 -0.16304 0.00000 0.34589
155 8D+1 -0.00888 -0.10961 0.09003 0.03386 -0.32765
156 8D-1 -0.00513 -0.09003 0.00566 -0.05865 -0.21835
157 8D+2 0.10560 -0.19184 -0.09725 -0.40661 -0.17449
158 8D-2 0.18291 -0.12426 0.19184 0.23476 -0.02317
159 9D 0 0.00221 0.04812 -0.02778 0.00000 0.23964
160 9D+1 0.58222 -0.60450 0.42892 0.14145 -0.41042
161 9D-1 0.33615 -0.42892 0.10922 -0.24500 -0.29901
162 9D+2 -0.23966 -0.09096 -0.49812 -0.33953 -0.41733
163 9D-2 -0.41510 0.39309 0.09096 0.19603 -0.08450
164 10F 0 -0.11907 0.11308 -0.06528 0.00000 0.12920
165 10F+1 -0.07879 0.24253 -0.09702 0.01133 0.26981
166 10F-1 -0.04549 0.09702 -0.13051 -0.01962 0.07544
167 10F+2 0.09904 -0.12092 0.20565 0.19370 -0.09527
168 10F-2 0.17154 -0.34528 0.12092 -0.11183 -0.27725
169 10F+3 0.00000 -0.15154 -0.26247 -0.33952 -0.17389
170 10F-3 -0.03976 0.04724 -0.02728 0.00000 -0.15357
171 5 H 1S 0.36063 0.05597 0.03231 0.00000 -0.03938
172 2S -0.02101 0.88400 0.51038 0.00000 0.43567
173 3S -3.10933 -1.97513 -1.14034 0.00000 -0.79220
174 4S -0.28327 -0.04226 -0.02440 0.00000 -0.11772
175 5PX -0.59466 -0.28411 -0.31560 0.11232 0.14117
176 5PY 0.34333 0.31560 -0.08031 0.19454 0.10520
177 5PZ -0.34444 -0.42634 -0.24614 0.00000 -0.30015
178 6PX 0.83022 -0.13453 0.40517 -0.49364 -0.76398
179 6PY -0.47933 -0.40517 0.60238 -0.85500 -0.18579
180 6PZ 0.71903 1.01986 0.58882 0.00000 1.24842
181 7PX 0.94087 0.71441 0.73110 -0.09949 0.01283
182 7PY -0.54321 -0.73110 0.12978 -0.17232 -0.18623
183 7PZ 0.80852 0.29087 0.16793 0.00000 0.29701
184 8D 0 -0.08021 -0.28240 -0.16304 0.00000 -0.34589
185 8D+1 0.00888 -0.10961 -0.09003 0.03386 -0.32765
186 8D-1 -0.00513 0.09003 0.00566 0.05865 0.21835
187 8D+2 0.10560 0.19184 -0.09725 0.40661 0.17449
188 8D-2 -0.18291 -0.12426 -0.19184 0.23476 -0.02317
189 9D 0 0.00221 -0.04812 -0.02778 0.00000 -0.23964
190 9D+1 -0.58222 -0.60450 -0.42892 0.14145 -0.41042
191 9D-1 0.33615 0.42892 0.10922 0.24500 0.29901
192 9D+2 -0.23966 0.09096 -0.49812 0.33953 0.41733
193 9D-2 0.41510 0.39309 -0.09096 0.19603 -0.08450
194 10F 0 -0.11907 -0.11308 -0.06528 0.00000 -0.12920
195 10F+1 0.07879 0.24253 0.09702 0.01133 0.26981
196 10F-1 -0.04549 -0.09702 -0.13051 0.01962 -0.07544
197 10F+2 0.09904 0.12092 0.20565 -0.19370 0.09527
198 10F-2 -0.17154 -0.34528 -0.12092 -0.11183 -0.27725
199 10F+3 0.00000 -0.15154 0.26247 -0.33952 -0.17389
200 10F-3 -0.03976 -0.04724 -0.02728 0.00000 0.15357
201 6 H 1S 0.36063 0.00000 -0.06463 0.00000 0.00000
202 2S -0.02101 0.00000 -1.02075 0.00000 0.00000
203 3S -3.10933 0.00000 2.28068 0.00000 0.00000
204 4S -0.28327 0.00000 0.04880 0.00000 0.00000
205 5PX 0.00000 -0.26252 0.00000 -0.22463 0.32339
206 5PY 0.68665 0.00000 -0.46633 0.00000 0.00000
207 5PZ 0.34444 0.00000 -0.49229 0.00000 0.00000
208 6PX 0.00000 0.83631 0.00000 0.98727 -1.08577
209 6PY -0.95866 0.00000 0.09940 0.00000 0.00000
210 6PZ -0.71903 0.00000 1.17763 0.00000 0.00000
211 7PX 0.00000 0.55188 0.00000 0.19898 -0.30974
212 7PY -1.08642 0.00000 1.13651 0.00000 0.00000
213 7PZ -0.80852 0.00000 0.33587 0.00000 0.00000
214 8D 0 -0.08021 0.00000 0.32609 0.00000 0.00000
215 8D+1 0.00000 0.04632 0.00000 0.06772 -0.05054
216 8D-1 0.01025 0.00000 0.16159 0.00000 0.00000
217 8D+2 -0.21120 0.00000 0.23502 0.00000 0.00000
218 8D-2 0.00000 0.20801 0.00000 0.46951 -0.27905
219 9D 0 0.00221 0.00000 0.05556 0.00000 0.00000
220 9D+1 0.00000 0.13842 0.00000 0.28291 -0.10748
221 9D-1 -0.67229 0.00000 0.85214 0.00000 0.00000
222 9D+2 0.47932 0.00000 -0.34057 0.00000 0.00000
223 9D-2 0.00000 0.55063 0.00000 0.39206 -0.63833
224 10F 0 0.11907 0.00000 -0.13057 0.00000 0.00000
225 10F+1 0.00000 -0.07449 0.00000 -0.02266 0.13914
226 10F-1 -0.09098 0.00000 0.29855 0.00000 0.00000
227 10F+2 0.19808 0.00000 -0.41509 0.00000 0.00000
228 10F-2 0.00000 0.13584 0.00000 0.22367 -0.11224
229 10F+3 0.00000 -0.30308 0.00000 -0.33952 0.34778
230 10F-3 0.03976 0.00000 -0.05455 0.00000 0.00000
231 7 H 1S 0.36063 0.05597 0.03231 0.00000 0.03938
232 2S -0.02101 0.88400 0.51038 0.00000 -0.43567
233 3S -3.10933 -1.97513 -1.14034 0.00000 0.79220
234 4S -0.28327 -0.04226 -0.02440 0.00000 0.11772
235 5PX 0.59466 0.28411 0.31560 0.11232 0.14117
236 5PY -0.34333 -0.31560 0.08031 0.19454 0.10520
237 5PZ 0.34444 0.42634 0.24614 0.00000 -0.30015
238 6PX -0.83022 0.13453 -0.40517 -0.49364 -0.76398
239 6PY 0.47933 0.40517 -0.60238 -0.85500 -0.18579
240 6PZ -0.71903 -1.01986 -0.58882 0.00000 1.24842
241 7PX -0.94087 -0.71441 -0.73110 -0.09949 0.01283
242 7PY 0.54321 0.73110 -0.12978 -0.17232 -0.18623
243 7PZ -0.80852 -0.29087 -0.16793 0.00000 0.29701
244 8D 0 -0.08021 -0.28240 -0.16304 0.00000 0.34589
245 8D+1 0.00888 -0.10961 -0.09003 -0.03386 0.32765
246 8D-1 -0.00513 0.09003 0.00566 -0.05865 -0.21835
247 8D+2 0.10560 0.19184 -0.09725 -0.40661 -0.17449
248 8D-2 -0.18291 -0.12426 -0.19184 -0.23476 0.02317
249 9D 0 0.00221 -0.04812 -0.02778 0.00000 0.23964
250 9D+1 -0.58222 -0.60450 -0.42892 -0.14145 0.41042
251 9D-1 0.33615 0.42892 0.10922 -0.24500 -0.29901
252 9D+2 -0.23966 0.09096 -0.49812 -0.33953 -0.41733
253 9D-2 0.41510 0.39309 -0.09096 -0.19603 0.08450
254 10F 0 0.11907 0.11308 0.06528 0.00000 -0.12920
255 10F+1 -0.07879 -0.24253 -0.09702 0.01133 0.26981
256 10F-1 0.04549 0.09702 0.13051 0.01962 -0.07544
257 10F+2 -0.09904 -0.12092 -0.20565 -0.19370 0.09527
258 10F-2 0.17154 0.34528 0.12092 -0.11183 -0.27725
259 10F+3 0.00000 0.15154 -0.26247 -0.33952 -0.17389
260 10F-3 0.03976 0.04724 0.02728 0.00000 0.15357
261 8 H 1S 0.36063 -0.05597 0.03231 0.00000 -0.03938
262 2S -0.02101 -0.88400 0.51038 0.00000 0.43567
263 3S -3.10933 1.97513 -1.14034 0.00000 -0.79220
264 4S -0.28327 0.04226 -0.02440 0.00000 -0.11772
265 5PX -0.59466 0.28411 -0.31560 0.11232 0.14117
266 5PY -0.34333 0.31560 0.08031 -0.19454 -0.10520
267 5PZ 0.34444 -0.42634 0.24614 0.00000 0.30015
268 6PX 0.83022 0.13453 0.40517 -0.49364 -0.76398
269 6PY 0.47933 -0.40517 -0.60238 0.85500 0.18579
270 6PZ -0.71903 1.01986 -0.58882 0.00000 -1.24842
271 7PX 0.94087 -0.71441 0.73110 -0.09949 0.01283
272 7PY 0.54321 -0.73110 -0.12978 0.17232 0.18623
273 7PZ -0.80852 0.29087 -0.16793 0.00000 -0.29701
274 8D 0 -0.08021 0.28240 -0.16304 0.00000 -0.34589
275 8D+1 -0.00888 -0.10961 0.09003 -0.03386 0.32765
276 8D-1 -0.00513 -0.09003 0.00566 0.05865 0.21835
277 8D+2 0.10560 -0.19184 -0.09725 0.40661 0.17449
278 8D-2 0.18291 -0.12426 0.19184 -0.23476 0.02317
279 9D 0 0.00221 0.04812 -0.02778 0.00000 -0.23964
280 9D+1 0.58222 -0.60450 0.42892 -0.14145 0.41042
281 9D-1 0.33615 -0.42892 0.10922 0.24500 0.29901
282 9D+2 -0.23966 -0.09096 -0.49812 0.33953 0.41733
283 9D-2 -0.41510 0.39309 0.09096 -0.19603 0.08450
284 10F 0 0.11907 -0.11308 0.06528 0.00000 0.12920
285 10F+1 0.07879 -0.24253 0.09702 0.01133 0.26981
286 10F-1 0.04549 -0.09702 0.13051 -0.01962 0.07544
287 10F+2 -0.09904 0.12092 -0.20565 0.19370 -0.09527
288 10F-2 -0.17154 0.34528 -0.12092 -0.11183 -0.27725
289 10F+3 0.00000 0.15154 0.26247 -0.33952 -0.17389
290 10F-3 0.03976 -0.04724 0.02728 0.00000 -0.15357
281 282 283 284 285
(EU)--V (A2G)--V (A2U)--V (A1G)--V (EU)--V
Eigenvalues -- 10.87304 11.13277 11.55700 11.84227 12.78509
1 1 C 1S 0.00000 0.00000 -0.16458 -0.14844 0.00000
2 2S 0.00000 0.00000 -0.18816 -0.19182 0.00000
3 3S 0.00000 0.00000 -4.15597 -4.64599 0.00000
4 4S 0.00000 0.00000 13.88774 16.14062 0.00000
5 5S 0.00000 0.00000 2.15088 2.90577 0.00000
6 6PX 0.00000 0.00000 0.00000 0.00000 -0.82897
7 6PY -0.29293 0.00000 0.00000 0.00000 0.00000
8 6PZ 0.00000 0.00000 -0.38423 -0.57135 0.00000
9 7PX 0.00000 0.00000 0.00000 0.00000 3.15392
10 7PY 0.79931 0.00000 0.00000 0.00000 0.00000
11 7PZ 0.00000 0.00000 1.08926 1.66709 0.00000
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286 287 288 289 290
(EU)--V (EG)--V (EG)--V (A2U)--V (A1G)--V
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288 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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290 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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252 9D+2 0.00000 0.00000
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263 3S 0.00032 0.00021 0.00021 0.00004 -0.00004
264 4S 0.00012 0.00007 0.00010 0.00002 -0.00002
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270 6PZ 0.00001 0.00000 0.00002 0.00000 0.00000
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282 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
283 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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286 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
287 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
288 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
289 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
290 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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257 10F+2 0.00000 0.00000
258 10F-2 0.00000 0.00000 0.00000
259 10F+3 0.00000 0.00000 0.00000 0.00000
260 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
261 8 H 1S 0.00000 0.00000 0.00001 0.00002 0.00001
262 2S 0.00001 0.00000 0.00004 0.00005 0.00002
263 3S 0.00001 0.00000 0.00006 0.00007 0.00003
264 4S 0.00000 0.00000 0.00003 0.00003 0.00002
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290 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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262 2S 0.01409 0.03702
263 3S 0.01952 0.05152 0.07250
264 4S 0.00675 0.01799 0.02598 0.01014
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266 5PY -0.00016 -0.00042 -0.00057 -0.00018 0.00001
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268 6PX -0.00115 -0.00302 -0.00420 -0.00143 0.00006
269 6PY -0.00066 -0.00174 -0.00242 -0.00083 0.00003
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271 7PX -0.00087 -0.00229 -0.00324 -0.00111 0.00005
272 7PY -0.00050 -0.00132 -0.00187 -0.00064 0.00002
273 7PZ 0.00043 0.00114 0.00157 0.00055 -0.00002
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276 8D-1 -0.00004 -0.00010 -0.00014 -0.00005 0.00000
277 8D+2 0.00005 0.00013 0.00018 0.00006 0.00000
278 8D-2 0.00009 0.00022 0.00031 0.00010 0.00000
279 9D 0 -0.00011 -0.00029 -0.00042 -0.00014 0.00001
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281 9D-1 -0.00010 -0.00028 -0.00038 -0.00014 0.00000
282 9D+2 0.00013 0.00033 0.00046 0.00015 -0.00001
283 9D-2 0.00022 0.00057 0.00079 0.00027 -0.00001
284 10F 0 -0.00003 -0.00008 -0.00012 -0.00004 0.00000
285 10F+1 0.00001 0.00002 0.00003 0.00001 0.00000
286 10F-1 0.00001 0.00001 0.00002 0.00001 0.00000
287 10F+2 0.00002 0.00005 0.00007 0.00002 0.00000
288 10F-2 0.00003 0.00008 0.00011 0.00004 0.00000
289 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
290 10F-3 -0.00004 -0.00011 -0.00016 -0.00005 0.00000
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268 6PX 0.00003 -0.00003 0.00026
269 6PY 0.00003 -0.00001 0.00013 0.00011
270 6PZ -0.00001 0.00002 -0.00010 -0.00006 0.00009
271 7PX 0.00002 -0.00001 0.00021 0.00009 -0.00006
272 7PY 0.00003 -0.00001 0.00009 0.00010 -0.00004
273 7PZ -0.00001 0.00002 -0.00008 -0.00004 0.00009
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278 8D-2 0.00000 0.00000 -0.00002 -0.00001 0.00001
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281 9D-1 0.00000 0.00000 0.00002 0.00002 -0.00002
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290 10F-3 0.00000 0.00000 0.00001 0.00001 0.00000
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272 7PY 0.00006 0.00012
273 7PZ -0.00004 -0.00002 0.00011
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275 8D+1 0.00001 0.00000 -0.00001 0.00000 0.00000
276 8D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
277 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
278 8D-2 -0.00001 -0.00001 0.00001 0.00000 0.00000
279 9D 0 0.00003 0.00001 0.00000 0.00000 0.00000
280 9D+1 0.00003 0.00001 -0.00003 0.00000 0.00000
281 9D-1 0.00001 0.00001 -0.00002 0.00000 0.00000
282 9D+2 -0.00003 0.00000 0.00001 0.00000 0.00000
283 9D-2 -0.00004 -0.00003 0.00001 0.00000 0.00000
284 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
285 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
286 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
287 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
288 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
289 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
290 10F-3 0.00001 0.00000 0.00000 0.00000 0.00000
276 277 278 279 280
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277 8D+2 0.00000 0.00000
278 8D-2 0.00000 0.00000 0.00000
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281 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
282 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
283 9D-2 0.00000 0.00000 0.00000 -0.00001 -0.00001
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290 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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283 9D-2 0.00000 0.00000 0.00001
284 10F 0 0.00000 0.00000 0.00000 0.00000
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289 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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288 10F-2 0.00000 0.00000 0.00000
289 10F+3 0.00000 0.00000 0.00000 0.00000
290 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
Beta Density Matrix:
1 2 3 4 5
1 1 C 1S 0.40506
2 2S -0.27520 0.19813
3 3S -0.00855 0.02604 0.03688
4 4S -0.05371 0.08057 0.08097 0.18196
5 5S -0.01366 0.02133 0.02208 0.04987 0.01419
6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
8 6PZ -0.00014 0.00015 0.00065 -0.00214 -0.00092
9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
11 7PZ -0.00024 0.00032 0.00135 -0.00404 -0.00175
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13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
14 8PZ 0.00029 -0.00054 0.00061 -0.00692 -0.00295
15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
17 9PZ 0.00028 -0.00049 -0.00011 -0.00324 -0.00154
18 10D 0 0.00003 -0.00006 -0.00010 -0.00002 -0.00001
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28 12D 0 -0.00012 0.00020 0.00011 0.00094 0.00033
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31 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
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33 13F 0 0.00011 -0.00031 -0.00043 -0.00098 -0.00026
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38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00010 -0.00029 -0.00040 -0.00086 -0.00023
40 14F 0 0.00123 -0.00185 -0.00185 -0.00430 -0.00118
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46 14F-3 0.00095 -0.00138 -0.00136 -0.00301 -0.00082
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53 15G-3 0.00011 -0.00021 -0.00024 -0.00053 -0.00014
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55 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 C 1S 0.00179 -0.00283 -0.00277 -0.00694 -0.00008
57 2S -0.00283 0.00445 0.00435 0.01048 -0.00040
58 3S -0.00277 0.00435 0.00426 0.00982 -0.00110
59 4S -0.00694 0.01048 0.00982 0.02391 -0.00147
60 5S -0.00008 -0.00040 -0.00110 -0.00147 -0.00250
61 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
62 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
63 6PZ -0.00460 0.00751 0.00757 0.02035 0.00683
64 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
65 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
66 7PZ -0.00898 0.01468 0.01482 0.03984 0.01339
67 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
68 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
69 8PZ -0.00785 0.01402 0.01483 0.04101 0.01403
70 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
71 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
72 9PZ -0.00167 0.00290 0.00285 0.00928 0.00350
73 10D 0 -0.00037 0.00061 0.00064 0.00161 0.00052
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75 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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77 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
78 11D 0 -0.00112 0.00194 0.00206 0.00531 0.00169
79 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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83 12D 0 -0.00056 0.00121 0.00142 0.00382 0.00127
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88 13F 0 -0.00011 0.00018 0.00019 0.00045 0.00009
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94 13F-3 0.00000 -0.00001 -0.00002 -0.00007 -0.00007
95 14F 0 -0.00050 0.00072 0.00067 0.00169 0.00033
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100 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
101 14F-3 -0.00007 0.00012 0.00012 0.00025 -0.00008
102 15G 0 -0.00006 0.00011 0.00011 0.00030 0.00008
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106 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
108 15G-3 0.00003 -0.00004 -0.00003 -0.00006 0.00001
109 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
110 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
111 3 H 1S -0.00346 0.00560 0.00609 0.01283 0.00343
112 2S -0.00811 0.01324 0.01448 0.03031 0.00810
113 3S -0.00751 0.01324 0.01538 0.03123 0.00826
114 4S -0.00085 0.00138 0.00164 0.00256 0.00052
115 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
116 5PY 0.00033 -0.00056 -0.00062 -0.00131 -0.00035
117 5PZ 0.00014 -0.00022 -0.00023 -0.00056 -0.00016
118 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
119 6PY 0.00077 -0.00126 -0.00139 -0.00286 -0.00076
120 6PZ 0.00029 -0.00050 -0.00055 -0.00132 -0.00037
121 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
122 7PY -0.00002 -0.00039 -0.00078 -0.00140 -0.00036
123 7PZ -0.00001 -0.00021 -0.00036 -0.00100 -0.00031
124 8D 0 0.00002 -0.00004 -0.00005 -0.00009 -0.00002
125 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
126 8D-1 -0.00004 0.00008 0.00009 0.00021 0.00006
127 8D+2 0.00005 -0.00010 -0.00012 -0.00025 -0.00007
128 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
129 9D 0 0.00009 -0.00010 -0.00009 -0.00014 -0.00004
130 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
131 9D-1 -0.00010 0.00016 0.00018 0.00041 0.00011
132 9D+2 0.00017 -0.00024 -0.00025 -0.00049 -0.00013
133 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
134 10F 0 -0.00001 0.00002 0.00003 0.00006 0.00002
135 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
136 10F-1 0.00000 0.00001 0.00001 0.00001 0.00000
137 10F+2 0.00001 0.00001 0.00002 0.00004 0.00001
138 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
139 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
140 10F-3 -0.00001 0.00002 0.00003 0.00007 0.00002
141 4 H 1S -0.00346 0.00560 0.00609 0.01283 0.00343
142 2S -0.00811 0.01324 0.01448 0.03031 0.00810
143 3S -0.00751 0.01324 0.01538 0.03123 0.00826
144 4S -0.00085 0.00138 0.00164 0.00256 0.00052
145 5PX -0.00029 0.00048 0.00053 0.00114 0.00031
146 5PY -0.00017 0.00028 0.00031 0.00066 0.00018
147 5PZ 0.00014 -0.00022 -0.00023 -0.00056 -0.00016
148 6PX -0.00067 0.00109 0.00121 0.00247 0.00066
149 6PY -0.00039 0.00063 0.00070 0.00143 0.00038
150 6PZ 0.00029 -0.00050 -0.00055 -0.00132 -0.00037
151 7PX 0.00002 0.00034 0.00068 0.00121 0.00031
152 7PY 0.00001 0.00019 0.00039 0.00070 0.00018
153 7PZ -0.00001 -0.00021 -0.00036 -0.00100 -0.00031
154 8D 0 0.00002 -0.00004 -0.00005 -0.00009 -0.00002
155 8D+1 0.00003 -0.00007 -0.00008 -0.00018 -0.00005
156 8D-1 0.00002 -0.00004 -0.00005 -0.00010 -0.00003
157 8D+2 -0.00002 0.00005 0.00006 0.00012 0.00003
158 8D-2 -0.00004 0.00008 0.00010 0.00021 0.00006
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269 6PY 0.00003 -0.00001 0.00013 0.00011
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282 9D+2 -0.00003 0.00000 0.00001 0.00000 0.00000
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290 10F-3 0.00001 0.00000 0.00000 0.00000 0.00000
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Full Mulliken population analysis:
1 2 3 4 5
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2 2S 0.45886 0.39626
3 3S -0.00574 -0.03332 0.07376
4 4S -0.01930 -0.06126 0.13850 0.36392
5 5S -0.00246 -0.00854 0.02450 0.08441 0.02838
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112 2S -0.00025 -0.00114 0.00562 0.02028 0.00566
113 3S -0.00085 -0.00336 0.01115 0.03471 0.01040
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120 6PZ -0.00001 -0.00004 0.00013 0.00030 0.00004
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141 4 H 1S 0.00000 -0.00002 0.00067 0.00341 0.00095
142 2S -0.00025 -0.00114 0.00562 0.02028 0.00566
143 3S -0.00085 -0.00336 0.01115 0.03471 0.01040
144 4S -0.00009 -0.00033 0.00115 0.00299 0.00084
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150 6PZ -0.00001 -0.00004 0.00013 0.00030 0.00004
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172 2S -0.00025 -0.00114 0.00562 0.02028 0.00566
173 3S -0.00085 -0.00336 0.01115 0.03471 0.01040
174 4S -0.00009 -0.00033 0.00115 0.00299 0.00084
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178 6PX -0.00005 -0.00021 0.00064 0.00126 0.00016
179 6PY -0.00002 -0.00007 0.00021 0.00042 0.00005
180 6PZ -0.00001 -0.00004 0.00013 0.00030 0.00004
181 7PX 0.00000 -0.00014 0.00061 0.00117 0.00019
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288 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
289 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
290 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
271 272 273 274 275
271 7PX 0.00038
272 7PY 0.00000 0.00023
273 7PZ 0.00000 0.00000 0.00022
274 8D 0 0.00000 0.00000 0.00000 0.00000
275 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
276 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
277 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
278 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
279 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
280 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
281 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
282 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
283 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
284 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
285 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
286 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
287 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
288 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
289 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
290 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
276 277 278 279 280
276 8D-1 0.00000
277 8D+2 0.00000 0.00000
278 8D-2 0.00000 0.00000 0.00000
279 9D 0 0.00000 0.00000 0.00000 0.00001
280 9D+1 0.00000 0.00000 0.00000 0.00000 0.00002
281 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
282 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
283 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
284 10F 0 0.00000 0.00000 0.00000 0.00000 0.00000
285 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
286 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
287 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
288 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
289 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
290 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
281 282 283 284 285
281 9D-1 0.00001
282 9D+2 0.00000 0.00001
283 9D-2 0.00000 0.00000 0.00002
284 10F 0 0.00000 0.00000 0.00000 0.00000
285 10F+1 0.00000 0.00000 0.00000 0.00000 0.00000
286 10F-1 0.00000 0.00000 0.00000 0.00000 0.00000
287 10F+2 0.00000 0.00000 0.00000 0.00000 0.00000
288 10F-2 0.00000 0.00000 0.00000 0.00000 0.00000
289 10F+3 0.00000 0.00000 0.00000 0.00000 0.00000
290 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
286 287 288 289 290
286 10F-1 0.00000
287 10F+2 0.00000 0.00000
288 10F-2 0.00000 0.00000 0.00000
289 10F+3 0.00000 0.00000 0.00000 0.00000
290 10F-3 0.00000 0.00000 0.00000 0.00000 0.00000
Gross orbital populations:
Total Alpha Beta Spin
1 1 C 1S 1.23607 0.61804 0.61804 0.00000
2 2S 0.72948 0.36474 0.36474 0.00000
3 3S 0.27949 0.13974 0.13974 0.00000
4 4S 0.77740 0.38870 0.38870 0.00000
5 5S 0.18122 0.09061 0.09061 0.00000
6 6PX 0.09043 0.04522 0.04522 0.00000
7 6PY 0.09043 0.04522 0.04522 0.00000
8 6PZ 0.08677 0.04339 0.04339 0.00000
9 7PX 0.31962 0.15981 0.15981 0.00000
10 7PY 0.31962 0.15981 0.15981 0.00000
11 7PZ 0.31490 0.15745 0.15745 0.00000
12 8PX 0.46111 0.23056 0.23056 0.00000
13 8PY 0.46111 0.23056 0.23056 0.00000
14 8PZ 0.42884 0.21442 0.21442 0.00000
15 9PX 0.12457 0.06229 0.06229 0.00000
16 9PY 0.12457 0.06229 0.06229 0.00000
17 9PZ 0.07296 0.03648 0.03648 0.00000
18 10D 0 0.00104 0.00052 0.00052 0.00000
19 10D+1 0.00069 0.00034 0.00034 0.00000
20 10D-1 0.00069 0.00034 0.00034 0.00000
21 10D+2 0.00081 0.00040 0.00040 0.00000
22 10D-2 0.00081 0.00040 0.00040 0.00000
23 11D 0 0.01073 0.00536 0.00536 0.00000
24 11D+1 0.00650 0.00325 0.00325 0.00000
25 11D-1 0.00650 0.00325 0.00325 0.00000
26 11D+2 0.00564 0.00282 0.00282 0.00000
27 11D-2 0.00564 0.00282 0.00282 0.00000
28 12D 0 0.00727 0.00364 0.00364 0.00000
29 12D+1 0.01315 0.00657 0.00657 0.00000
30 12D-1 0.01315 0.00657 0.00657 0.00000
31 12D+2 0.00801 0.00401 0.00401 0.00000
32 12D-2 0.00801 0.00401 0.00401 0.00000
33 13F 0 0.00027 0.00014 0.00014 0.00000
34 13F+1 0.00009 0.00004 0.00004 0.00000
35 13F-1 0.00009 0.00004 0.00004 0.00000
36 13F+2 0.00009 0.00004 0.00004 0.00000
37 13F-2 0.00009 0.00004 0.00004 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00023 0.00012 0.00012 0.00000
40 14F 0 0.00260 0.00130 0.00130 0.00000
41 14F+1 0.00079 0.00040 0.00040 0.00000
42 14F-1 0.00079 0.00040 0.00040 0.00000
43 14F+2 -0.00012 -0.00006 -0.00006 0.00000
44 14F-2 -0.00012 -0.00006 -0.00006 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00160 0.00080 0.00080 0.00000
47 15G 0 0.00018 0.00009 0.00009 0.00000
48 15G+1 0.00013 0.00006 0.00006 0.00000
49 15G-1 0.00013 0.00006 0.00006 0.00000
50 15G+2 0.00000 0.00000 0.00000 0.00000
51 15G-2 0.00000 0.00000 0.00000 0.00000
52 15G+3 0.00000 0.00000 0.00000 0.00000
53 15G-3 0.00013 0.00007 0.00007 0.00000
54 15G+4 0.00006 0.00003 0.00003 0.00000
55 15G-4 0.00006 0.00003 0.00003 0.00000
56 2 C 1S 1.23607 0.61804 0.61804 0.00000
57 2S 0.72948 0.36474 0.36474 0.00000
58 3S 0.27949 0.13974 0.13974 0.00000
59 4S 0.77740 0.38870 0.38870 0.00000
60 5S 0.18122 0.09061 0.09061 0.00000
61 6PX 0.09043 0.04522 0.04522 0.00000
62 6PY 0.09043 0.04522 0.04522 0.00000
63 6PZ 0.08677 0.04339 0.04339 0.00000
64 7PX 0.31962 0.15981 0.15981 0.00000
65 7PY 0.31962 0.15981 0.15981 0.00000
66 7PZ 0.31490 0.15745 0.15745 0.00000
67 8PX 0.46111 0.23056 0.23056 0.00000
68 8PY 0.46111 0.23056 0.23056 0.00000
69 8PZ 0.42884 0.21442 0.21442 0.00000
70 9PX 0.12457 0.06229 0.06229 0.00000
71 9PY 0.12457 0.06229 0.06229 0.00000
72 9PZ 0.07296 0.03648 0.03648 0.00000
73 10D 0 0.00104 0.00052 0.00052 0.00000
74 10D+1 0.00069 0.00034 0.00034 0.00000
75 10D-1 0.00069 0.00034 0.00034 0.00000
76 10D+2 0.00081 0.00040 0.00040 0.00000
77 10D-2 0.00081 0.00040 0.00040 0.00000
78 11D 0 0.01073 0.00536 0.00536 0.00000
79 11D+1 0.00650 0.00325 0.00325 0.00000
80 11D-1 0.00650 0.00325 0.00325 0.00000
81 11D+2 0.00564 0.00282 0.00282 0.00000
82 11D-2 0.00564 0.00282 0.00282 0.00000
83 12D 0 0.00727 0.00364 0.00364 0.00000
84 12D+1 0.01315 0.00657 0.00657 0.00000
85 12D-1 0.01315 0.00657 0.00657 0.00000
86 12D+2 0.00801 0.00401 0.00401 0.00000
87 12D-2 0.00801 0.00401 0.00401 0.00000
88 13F 0 0.00027 0.00014 0.00014 0.00000
89 13F+1 0.00009 0.00004 0.00004 0.00000
90 13F-1 0.00009 0.00004 0.00004 0.00000
91 13F+2 0.00009 0.00004 0.00004 0.00000
92 13F-2 0.00009 0.00004 0.00004 0.00000
93 13F+3 0.00000 0.00000 0.00000 0.00000
94 13F-3 0.00023 0.00012 0.00012 0.00000
95 14F 0 0.00260 0.00130 0.00130 0.00000
96 14F+1 0.00079 0.00040 0.00040 0.00000
97 14F-1 0.00079 0.00040 0.00040 0.00000
98 14F+2 -0.00012 -0.00006 -0.00006 0.00000
99 14F-2 -0.00012 -0.00006 -0.00006 0.00000
100 14F+3 0.00000 0.00000 0.00000 0.00000
101 14F-3 0.00160 0.00080 0.00080 0.00000
102 15G 0 0.00018 0.00009 0.00009 0.00000
103 15G+1 0.00013 0.00006 0.00006 0.00000
104 15G-1 0.00013 0.00006 0.00006 0.00000
105 15G+2 0.00000 0.00000 0.00000 0.00000
106 15G-2 0.00000 0.00000 0.00000 0.00000
107 15G+3 0.00000 0.00000 0.00000 0.00000
108 15G-3 0.00013 0.00007 0.00007 0.00000
109 15G+4 0.00006 0.00003 0.00003 0.00000
110 15G-4 0.00006 0.00003 0.00003 0.00000
111 3 H 1S 0.06900 0.03450 0.03450 0.00000
112 2S 0.31038 0.15519 0.15519 0.00000
113 3S 0.43968 0.21984 0.21984 0.00000
114 4S 0.07883 0.03942 0.03942 0.00000
115 5PX 0.00023 0.00012 0.00012 0.00000
116 5PY 0.00125 0.00062 0.00062 0.00000
117 5PZ 0.00037 0.00019 0.00019 0.00000
118 6PX 0.00196 0.00098 0.00098 0.00000
119 6PY 0.00858 0.00429 0.00429 0.00000
120 6PZ 0.00332 0.00166 0.00166 0.00000
121 7PX 0.00718 0.00359 0.00359 0.00000
122 7PY 0.00423 0.00212 0.00212 0.00000
123 7PZ 0.00659 0.00329 0.00329 0.00000
124 8D 0 0.00005 0.00003 0.00003 0.00000
125 8D+1 0.00000 0.00000 0.00000 0.00000
126 8D-1 0.00013 0.00006 0.00006 0.00000
127 8D+2 0.00015 0.00007 0.00007 0.00000
128 8D-2 0.00008 0.00004 0.00004 0.00000
129 9D 0 0.00062 0.00031 0.00031 0.00000
130 9D+1 0.00014 0.00007 0.00007 0.00000
131 9D-1 0.00095 0.00048 0.00048 0.00000
132 9D+2 0.00050 0.00025 0.00025 0.00000
133 9D-2 0.00075 0.00037 0.00037 0.00000
134 10F 0 0.00002 0.00001 0.00001 0.00000
135 10F+1 0.00000 0.00000 0.00000 0.00000
136 10F-1 0.00006 0.00003 0.00003 0.00000
137 10F+2 0.00004 0.00002 0.00002 0.00000
138 10F-2 0.00001 0.00001 0.00001 0.00000
139 10F+3 0.00005 0.00003 0.00003 0.00000
140 10F-3 0.00003 0.00002 0.00002 0.00000
141 4 H 1S 0.06900 0.03450 0.03450 0.00000
142 2S 0.31038 0.15519 0.15519 0.00000
143 3S 0.43968 0.21984 0.21984 0.00000
144 4S 0.07883 0.03942 0.03942 0.00000
145 5PX 0.00100 0.00050 0.00050 0.00000
146 5PY 0.00049 0.00024 0.00024 0.00000
147 5PZ 0.00037 0.00019 0.00019 0.00000
148 6PX 0.00692 0.00346 0.00346 0.00000
149 6PY 0.00361 0.00181 0.00181 0.00000
150 6PZ 0.00332 0.00166 0.00166 0.00000
151 7PX 0.00497 0.00248 0.00248 0.00000
152 7PY 0.00644 0.00322 0.00322 0.00000
153 7PZ 0.00659 0.00329 0.00329 0.00000
154 8D 0 0.00005 0.00003 0.00003 0.00000
155 8D+1 0.00010 0.00005 0.00005 0.00000
156 8D-1 0.00004 0.00002 0.00002 0.00000
157 8D+2 0.00010 0.00005 0.00005 0.00000
158 8D-2 0.00013 0.00007 0.00007 0.00000
159 9D 0 0.00062 0.00031 0.00031 0.00000
160 9D+1 0.00075 0.00037 0.00037 0.00000
161 9D-1 0.00034 0.00017 0.00017 0.00000
162 9D+2 0.00068 0.00034 0.00034 0.00000
163 9D-2 0.00056 0.00028 0.00028 0.00000
164 10F 0 0.00002 0.00001 0.00001 0.00000
165 10F+1 0.00005 0.00002 0.00002 0.00000
166 10F-1 0.00002 0.00001 0.00001 0.00000
167 10F+2 0.00002 0.00001 0.00001 0.00000
168 10F-2 0.00003 0.00002 0.00002 0.00000
169 10F+3 0.00005 0.00003 0.00003 0.00000
170 10F-3 0.00003 0.00002 0.00002 0.00000
171 5 H 1S 0.06900 0.03450 0.03450 0.00000
172 2S 0.31038 0.15519 0.15519 0.00000
173 3S 0.43968 0.21984 0.21984 0.00000
174 4S 0.07883 0.03942 0.03942 0.00000
175 5PX 0.00100 0.00050 0.00050 0.00000
176 5PY 0.00049 0.00024 0.00024 0.00000
177 5PZ 0.00037 0.00019 0.00019 0.00000
178 6PX 0.00692 0.00346 0.00346 0.00000
179 6PY 0.00361 0.00181 0.00181 0.00000
180 6PZ 0.00332 0.00166 0.00166 0.00000
181 7PX 0.00497 0.00248 0.00248 0.00000
182 7PY 0.00644 0.00322 0.00322 0.00000
183 7PZ 0.00659 0.00329 0.00329 0.00000
184 8D 0 0.00005 0.00003 0.00003 0.00000
185 8D+1 0.00010 0.00005 0.00005 0.00000
186 8D-1 0.00004 0.00002 0.00002 0.00000
187 8D+2 0.00010 0.00005 0.00005 0.00000
188 8D-2 0.00013 0.00007 0.00007 0.00000
189 9D 0 0.00062 0.00031 0.00031 0.00000
190 9D+1 0.00075 0.00037 0.00037 0.00000
191 9D-1 0.00034 0.00017 0.00017 0.00000
192 9D+2 0.00068 0.00034 0.00034 0.00000
193 9D-2 0.00056 0.00028 0.00028 0.00000
194 10F 0 0.00002 0.00001 0.00001 0.00000
195 10F+1 0.00005 0.00002 0.00002 0.00000
196 10F-1 0.00002 0.00001 0.00001 0.00000
197 10F+2 0.00002 0.00001 0.00001 0.00000
198 10F-2 0.00003 0.00002 0.00002 0.00000
199 10F+3 0.00005 0.00003 0.00003 0.00000
200 10F-3 0.00003 0.00002 0.00002 0.00000
201 6 H 1S 0.06900 0.03450 0.03450 0.00000
202 2S 0.31038 0.15519 0.15519 0.00000
203 3S 0.43968 0.21984 0.21984 0.00000
204 4S 0.07883 0.03942 0.03942 0.00000
205 5PX 0.00023 0.00012 0.00012 0.00000
206 5PY 0.00125 0.00062 0.00062 0.00000
207 5PZ 0.00037 0.00019 0.00019 0.00000
208 6PX 0.00196 0.00098 0.00098 0.00000
209 6PY 0.00858 0.00429 0.00429 0.00000
210 6PZ 0.00332 0.00166 0.00166 0.00000
211 7PX 0.00718 0.00359 0.00359 0.00000
212 7PY 0.00423 0.00212 0.00212 0.00000
213 7PZ 0.00659 0.00329 0.00329 0.00000
214 8D 0 0.00005 0.00003 0.00003 0.00000
215 8D+1 0.00000 0.00000 0.00000 0.00000
216 8D-1 0.00013 0.00006 0.00006 0.00000
217 8D+2 0.00015 0.00007 0.00007 0.00000
218 8D-2 0.00008 0.00004 0.00004 0.00000
219 9D 0 0.00062 0.00031 0.00031 0.00000
220 9D+1 0.00014 0.00007 0.00007 0.00000
221 9D-1 0.00095 0.00048 0.00048 0.00000
222 9D+2 0.00050 0.00025 0.00025 0.00000
223 9D-2 0.00075 0.00037 0.00037 0.00000
224 10F 0 0.00002 0.00001 0.00001 0.00000
225 10F+1 0.00000 0.00000 0.00000 0.00000
226 10F-1 0.00006 0.00003 0.00003 0.00000
227 10F+2 0.00004 0.00002 0.00002 0.00000
228 10F-2 0.00001 0.00001 0.00001 0.00000
229 10F+3 0.00005 0.00003 0.00003 0.00000
230 10F-3 0.00003 0.00002 0.00002 0.00000
231 7 H 1S 0.06900 0.03450 0.03450 0.00000
232 2S 0.31038 0.15519 0.15519 0.00000
233 3S 0.43968 0.21984 0.21984 0.00000
234 4S 0.07883 0.03942 0.03942 0.00000
235 5PX 0.00100 0.00050 0.00050 0.00000
236 5PY 0.00049 0.00024 0.00024 0.00000
237 5PZ 0.00037 0.00019 0.00019 0.00000
238 6PX 0.00692 0.00346 0.00346 0.00000
239 6PY 0.00361 0.00181 0.00181 0.00000
240 6PZ 0.00332 0.00166 0.00166 0.00000
241 7PX 0.00497 0.00248 0.00248 0.00000
242 7PY 0.00644 0.00322 0.00322 0.00000
243 7PZ 0.00659 0.00329 0.00329 0.00000
244 8D 0 0.00005 0.00003 0.00003 0.00000
245 8D+1 0.00010 0.00005 0.00005 0.00000
246 8D-1 0.00004 0.00002 0.00002 0.00000
247 8D+2 0.00010 0.00005 0.00005 0.00000
248 8D-2 0.00013 0.00007 0.00007 0.00000
249 9D 0 0.00062 0.00031 0.00031 0.00000
250 9D+1 0.00075 0.00037 0.00037 0.00000
251 9D-1 0.00034 0.00017 0.00017 0.00000
252 9D+2 0.00068 0.00034 0.00034 0.00000
253 9D-2 0.00056 0.00028 0.00028 0.00000
254 10F 0 0.00002 0.00001 0.00001 0.00000
255 10F+1 0.00005 0.00002 0.00002 0.00000
256 10F-1 0.00002 0.00001 0.00001 0.00000
257 10F+2 0.00002 0.00001 0.00001 0.00000
258 10F-2 0.00003 0.00002 0.00002 0.00000
259 10F+3 0.00005 0.00003 0.00003 0.00000
260 10F-3 0.00003 0.00002 0.00002 0.00000
261 8 H 1S 0.06900 0.03450 0.03450 0.00000
262 2S 0.31038 0.15519 0.15519 0.00000
263 3S 0.43968 0.21984 0.21984 0.00000
264 4S 0.07883 0.03942 0.03942 0.00000
265 5PX 0.00100 0.00050 0.00050 0.00000
266 5PY 0.00049 0.00024 0.00024 0.00000
267 5PZ 0.00037 0.00019 0.00019 0.00000
268 6PX 0.00692 0.00346 0.00346 0.00000
269 6PY 0.00361 0.00181 0.00181 0.00000
270 6PZ 0.00332 0.00166 0.00166 0.00000
271 7PX 0.00497 0.00248 0.00248 0.00000
272 7PY 0.00644 0.00322 0.00322 0.00000
273 7PZ 0.00659 0.00329 0.00329 0.00000
274 8D 0 0.00005 0.00003 0.00003 0.00000
275 8D+1 0.00010 0.00005 0.00005 0.00000
276 8D-1 0.00004 0.00002 0.00002 0.00000
277 8D+2 0.00010 0.00005 0.00005 0.00000
278 8D-2 0.00013 0.00007 0.00007 0.00000
279 9D 0 0.00062 0.00031 0.00031 0.00000
280 9D+1 0.00075 0.00037 0.00037 0.00000
281 9D-1 0.00034 0.00017 0.00017 0.00000
282 9D+2 0.00068 0.00034 0.00034 0.00000
283 9D-2 0.00056 0.00028 0.00028 0.00000
284 10F 0 0.00002 0.00001 0.00001 0.00000
285 10F+1 0.00005 0.00002 0.00002 0.00000
286 10F-1 0.00002 0.00001 0.00001 0.00000
287 10F+2 0.00002 0.00001 0.00001 0.00000
288 10F-2 0.00003 0.00002 0.00002 0.00000
289 10F+3 0.00005 0.00003 0.00003 0.00000
290 10F-3 0.00003 0.00002 0.00002 0.00000
Condensed to atoms (all electrons):
1 2 3 4 5 6
1 C 4.671780 0.373893 0.420776 0.420776 0.420776 -0.037885
2 C 0.373893 4.671780 -0.037885 -0.037885 -0.037885 0.420776
3 H 0.420776 -0.037885 0.611844 -0.028800 -0.028800 0.007272
4 H 0.420776 -0.037885 -0.028800 0.611844 -0.028800 -0.004595
5 H 0.420776 -0.037885 -0.028800 -0.028800 0.611844 -0.004595
6 H -0.037885 0.420776 0.007272 -0.004595 -0.004595 0.611844
7 H -0.037885 0.420776 -0.004595 -0.004595 0.007272 -0.028800
8 H -0.037885 0.420776 -0.004595 0.007272 -0.004595 -0.028800
7 8
1 C -0.037885 -0.037885
2 C 0.420776 0.420776
3 H -0.004595 -0.004595
4 H -0.004595 0.007272
5 H 0.007272 -0.004595
6 H -0.028800 -0.028800
7 H 0.611844 -0.028800
8 H -0.028800 0.611844
Atomic-Atomic Spin Densities.
1 2 3 4 5 6
1 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
3 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
4 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
5 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
7 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
8 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
7 8
1 C 0.000000 0.000000
2 C 0.000000 0.000000
3 H 0.000000 0.000000
4 H 0.000000 0.000000
5 H 0.000000 0.000000
6 H 0.000000 0.000000
7 H 0.000000 0.000000
8 H 0.000000 0.000000
Mulliken charges and spin densities:
1 2
1 C -0.194347 0.000000
2 C -0.194347 0.000000
3 H 0.064782 0.000000
4 H 0.064782 0.000000
5 H 0.064782 0.000000
6 H 0.064782 0.000000
7 H 0.064782 0.000000
8 H 0.064782 0.000000
Sum of Mulliken charges = 0.00000 0.00000
Mulliken charges and spin densities with hydrogens summed into heavy atoms:
1 2
1 C 0.000000 0.000000
2 C 0.000000 0.000000
Electronic spatial extent (au): <R**2>= 110.2792
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.0000 Y= 0.0000 Z= 0.0000 Tot= 0.0000
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -14.9585 YY= -14.9585 ZZ= -15.6726
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= 0.2380 YY= 0.2380 ZZ= -0.4760
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= 0.0000 YYY= 0.0000 ZZZ= 0.0000 XYY= 0.0000
XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000
YYZ= 0.0000 XYZ= 0.0000
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -29.8086 YYYY= -29.8086 ZZZZ= -95.9930 XXXY= 0.0000
XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 1.4296 ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -9.9362 XXZZ= -19.9055 YYZZ= -19.9055
XXYZ= -1.4296 YYXZ= 0.0000 ZZXY= 0.0000
N-N= 4.214222410300D+01 E-N=-2.680605101135D+02 KE= 7.914908981389D+01
Symmetry AG KE= 3.901409418258D+01
Symmetry BG KE= 2.056848127796D+00
Symmetry AU KE= 1.785801120798D+00
Symmetry BU KE= 3.629234638271D+01
Orbital energies and kinetic energies (alpha):
1 2
1 (A1G)--O -11.212424 16.018606
2 (A2U)--O -11.211825 16.026088
3 (A1G)--O -1.015513 1.258649
4 (A2U)--O -0.840471 1.227185
5 (EU)--O -0.594773 0.892901
6 (EU)--O -0.594773 0.892901
7 (A1G)--O -0.509702 1.201368
8 (EG)--O -0.485905 1.028424
9 (EG)--O -0.485905 1.028424
10 (A1G)--V 0.113130 0.294874
11 (A2U)--V 0.149391 0.342096
12 (EU)--V 0.177862 0.332818
13 (EU)--V 0.177862 0.332818
14 (EG)--V 0.205114 0.332414
15 (EG)--V 0.205114 0.332414
16 (A1G)--V 0.284582 0.429665
17 (A2U)--V 0.292878 0.446560
18 (EG)--V 0.303467 0.423638
19 (EG)--V 0.303467 0.423638
20 (EU)--V 0.333866 0.485161
21 (EU)--V 0.333866 0.485161
22 (A1G)--V 0.466870 1.010125
23 (EU)--V 0.487747 1.036784
24 (EU)--V 0.487747 1.036784
25 (A2U)--V 0.524432 1.373744
26 (A2U)--V 0.550615 1.366176
27 (EG)--V 0.556714 1.117496
28 (EG)--V 0.556714 1.117496
29 (EU)--V 0.590831 0.806237
30 (EU)--V 0.590831 0.806237
31 (A2U)--V 0.656119 0.912132
32 (A1G)--V 0.686200 1.005742
33 (A1U)--V 0.786661 0.867531
34 (EG)--V 0.786985 1.020077
35 (EG)--V 0.786985 1.020077
36 (A1G)--V 0.867028 1.151165
37 (EG)--V 0.877511 1.078522
38 (EG)--V 0.877511 1.078522
39 (A2G)--V 0.880629 0.962834
40 (EU)--V 0.910793 1.300236
41 (EU)--V 0.910793 1.300236
42 (EG)--V 0.952418 1.191411
43 (EG)--V 0.952418 1.191411
44 (A2U)--V 0.991142 1.738242
45 (A1G)--V 1.029377 1.169717
46 (A2U)--V 1.050231 1.543006
47 (EU)--V 1.087165 1.264133
48 (EU)--V 1.087165 1.264133
49 (EU)--V 1.138599 1.458662
50 (EU)--V 1.138599 1.458662
51 (A1G)--V 1.182324 1.974093
52 (EG)--V 1.188122 1.419144
53 (EG)--V 1.188122 1.419144
54 (A2U)--V 1.210910 1.884177
55 (EU)--V 1.225382 1.460099
56 (EU)--V 1.225382 1.460099
57 (EG)--V 1.258931 1.625251
58 (EG)--V 1.258931 1.625251
59 (A1G)--V 1.574565 2.268329
60 (EG)--V 1.604224 2.114808
61 (EG)--V 1.604224 2.114808
62 (A2U)--V 1.659018 2.201723
63 (EU)--V 1.665024 1.996974
64 (EU)--V 1.665024 1.996974
65 (A1G)--V 1.844583 2.285191
66 (EU)--V 1.913655 2.812253
67 (EU)--V 1.913655 2.812253
68 (A1U)--V 1.965943 2.174784
69 (A2U)--V 1.976206 2.916803
70 (EG)--V 2.020250 2.559350
71 (EG)--V 2.020250 2.559350
72 (A1G)--V 2.040593 2.677194
73 (EG)--V 2.072367 2.466805
74 (EG)--V 2.072367 2.466805
75 (EU)--V 2.115953 2.590169
76 (EU)--V 2.115953 2.590169
77 (A2G)--V 2.131946 2.401837
78 (EG)--V 2.164374 2.690212
79 (EG)--V 2.164374 2.690212
80 (A2U)--V 2.208489 2.785623
81 (EU)--V 2.255165 2.555899
82 (EU)--V 2.255165 2.555899
83 (A1U)--V 2.294753 2.487777
84 (EU)--V 2.320315 2.747882
85 (EU)--V 2.320315 2.747882
86 (A2U)--V 2.388078 3.013144
87 (EG)--V 2.399596 2.596802
88 (EG)--V 2.399596 2.596802
89 (A1G)--V 2.417550 3.360126
90 (A2G)--V 2.438816 2.568396
91 (EU)--V 2.534637 2.868373
92 (EU)--V 2.534637 2.868373
93 (EG)--V 2.613333 3.087172
94 (EG)--V 2.613333 3.087172
95 (A1G)--V 2.664339 3.403686
96 (A2U)--V 2.667964 3.262936
97 (EU)--V 2.699882 2.952532
98 (EU)--V 2.699882 2.952532
99 (EG)--V 2.753666 3.002594
100 (EG)--V 2.753666 3.002594
101 (EU)--V 2.763089 2.974553
102 (EU)--V 2.763089 2.974553
103 (A2U)--V 2.809460 3.221391
104 (EG)--V 2.887150 3.115263
105 (EG)--V 2.887150 3.115263
106 (A1G)--V 2.889975 3.163001
107 (EG)--V 2.912357 3.105777
108 (EG)--V 2.912357 3.105777
109 (A1G)--V 3.052391 4.105301
110 (A1U)--V 3.083325 3.233966
111 (A2G)--V 3.161610 3.338094
112 (EU)--V 3.194368 3.524423
113 (EU)--V 3.194368 3.524423
114 (A2U)--V 3.194677 3.544390
115 (A1U)--V 3.308978 3.525586
116 (EG)--V 3.339966 3.616248
117 (EG)--V 3.339966 3.616248
118 (EU)--V 3.371613 3.575338
119 (EU)--V 3.371613 3.575338
120 (A2U)--V 3.385658 3.846982
121 (A1G)--V 3.395781 3.942822
122 (EG)--V 3.458714 3.807178
123 (EG)--V 3.458714 3.807178
124 (EU)--V 3.467010 3.918141
125 (EU)--V 3.467010 3.918141
126 (A1G)--V 3.641152 4.185887
127 (EG)--V 3.692093 4.262469
128 (EG)--V 3.692093 4.262469
129 (A2U)--V 3.713373 4.315002
130 (A1G)--V 3.747025 4.424249
131 (EU)--V 3.819020 4.675134
132 (EU)--V 3.819020 4.675134
133 (EU)--V 4.076426 4.439576
134 (EU)--V 4.076426 4.439576
135 (EG)--V 4.105908 5.051702
136 (EG)--V 4.105908 5.051702
137 (A2G)--V 4.132335 4.370700
138 (A2U)--V 4.146551 5.470133
139 (A1G)--V 4.158223 5.444901
140 (EG)--V 4.189631 4.859747
141 (EG)--V 4.189631 4.859747
142 (EU)--V 4.220348 4.860643
143 (EU)--V 4.220348 4.860643
144 (A2U)--V 4.368676 5.355801
145 (EG)--V 5.502879 6.065349
146 (EG)--V 5.502879 6.065349
147 (EU)--V 5.561273 6.315172
148 (EU)--V 5.561273 6.315172
149 (EG)--V 5.667810 6.539661
150 (EG)--V 5.667810 6.539661
151 (A1U)--V 5.668780 6.290181
152 (A1G)--V 5.675445 8.040255
153 (A2U)--V 5.730198 7.229069
154 (EU)--V 5.828254 6.414714
155 (EU)--V 5.828254 6.414714
156 (A2G)--V 5.867052 6.521746
157 (EU)--V 6.055301 6.729757
158 (EU)--V 6.055301 6.729757
159 (A1G)--V 6.055948 6.914868
160 (EG)--V 6.149523 7.130576
161 (EG)--V 6.149523 7.130576
162 (EG)--V 6.222988 6.941426
163 (EG)--V 6.222988 6.941426
164 (A2G)--V 6.245163 6.462081
165 (A2U)--V 6.275079 7.029088
166 (A1U)--V 6.278737 6.519023
167 (EU)--V 6.292764 7.797432
168 (EU)--V 6.292764 7.797432
169 (EG)--V 6.404046 6.815357
170 (EG)--V 6.404046 6.815357
171 (EU)--V 6.420986 7.452107
172 (EU)--V 6.420986 7.452107
173 (A2U)--V 6.454784 7.261304
174 (A1U)--V 6.474417 7.004725
175 (EU)--V 6.495851 7.175185
176 (EU)--V 6.495851 7.175185
177 (A2U)--V 6.528855 7.259323
178 (EG)--V 6.552716 7.382707
179 (EG)--V 6.552716 7.382707
180 (EG)--V 6.579365 7.497525
181 (EG)--V 6.579365 7.497525
182 (A1G)--V 6.583165 7.585655
183 (A2G)--V 6.609041 7.106537
184 (A1G)--V 6.676072 7.677280
185 (A1G)--V 6.695119 7.559976
186 (EU)--V 6.757373 7.621851
187 (EU)--V 6.757373 7.621851
188 (A2U)--V 6.774174 8.472811
189 (EG)--V 6.820328 7.815202
190 (EG)--V 6.820328 7.815202
191 (EU)--V 7.023642 8.263922
192 (EU)--V 7.023642 8.263922
193 (EU)--V 7.068330 8.128011
194 (EU)--V 7.068330 8.128011
195 (A1U)--V 7.102519 7.412704
196 (A1G)--V 7.103467 8.194158
197 (EU)--V 7.266255 8.567061
198 (EU)--V 7.266255 8.567061
199 (EG)--V 7.305052 9.350238
200 (EG)--V 7.305052 9.350238
201 (A2U)--V 7.407889 8.441238
202 (A2G)--V 7.613025 8.024160
203 (EG)--V 7.619138 8.372440
204 (EG)--V 7.619138 8.372440
205 (A1G)--V 7.662576 8.943792
206 (EU)--V 7.690506 8.286642
207 (EU)--V 7.690506 8.286642
208 (EU)--V 7.804936 8.555336
209 (EU)--V 7.804936 8.555336
210 (A1U)--V 7.817384 8.484903
211 (EG)--V 7.869984 8.699120
212 (EG)--V 7.869984 8.699120
213 (A2U)--V 7.918728 8.988383
214 (EG)--V 7.933158 8.656766
215 (EG)--V 7.933158 8.656766
216 (A1G)--V 7.972095 9.036957
217 (EG)--V 8.028463 8.994039
218 (EG)--V 8.028463 8.994039
219 (A1G)--V 8.070442 9.437227
220 (EU)--V 8.127910 8.627108
221 (EU)--V 8.127910 8.627108
222 (EG)--V 8.153600 8.831095
223 (EG)--V 8.153600 8.831095
224 (A2U)--V 8.177177 9.208889
225 (EU)--V 8.219792 8.941447
226 (EU)--V 8.219792 8.941447
227 (A2G)--V 8.247792 8.771965
228 (A2U)--V 8.299784 8.845035
229 (EG)--V 8.471332 9.167415
230 (EG)--V 8.471332 9.167415
231 (A1G)--V 8.476125 9.284248
232 (EU)--V 8.556488 9.126019
233 (EU)--V 8.556488 9.126019
234 (EU)--V 8.654696 9.444971
235 (EU)--V 8.654696 9.444971
236 (A1G)--V 8.675508 9.558650
237 (A2U)--V 8.687277 9.871947
238 (A1U)--V 8.721942 9.247182
239 (EG)--V 8.819588 9.585195
240 (EG)--V 8.819588 9.585195
241 (A2U)--V 8.830844 9.576478
242 (A2G)--V 8.832130 9.390117
243 (EG)--V 8.867125 9.504376
244 (EG)--V 8.867125 9.504376
245 (EU)--V 8.998811 9.593460
246 (EU)--V 8.998811 9.593460
247 (A1G)--V 9.007693 9.977388
248 (EU)--V 9.050598 10.645457
249 (EU)--V 9.050598 10.645457
250 (EG)--V 9.087428 9.877917
251 (EG)--V 9.087428 9.877917
252 (A1U)--V 9.213374 9.750319
253 (EG)--V 9.240508 9.818880
254 (EG)--V 9.240508 9.818880
255 (A2U)--V 9.318562 12.250275
256 (A1G)--V 9.342363 10.616609
257 (A2U)--V 9.400586 10.264551
258 (EG)--V 9.462292 10.640986
259 (EG)--V 9.462292 10.640986
260 (EU)--V 9.488709 10.196657
261 (EU)--V 9.488709 10.196657
262 (A2G)--V 9.526131 10.149102
263 (EU)--V 9.645165 10.251979
264 (EU)--V 9.645165 10.251979
265 (EG)--V 10.146917 11.366403
266 (EG)--V 10.146917 11.366403
267 (A2U)--V 10.160248 11.244505
268 (EU)--V 10.240823 11.244800
269 (EU)--V 10.240823 11.244800
270 (A1G)--V 10.387082 11.755576
271 (EG)--V 10.452518 11.356831
272 (EG)--V 10.452518 11.356831
273 (EU)--V 10.463725 11.456633
274 (EU)--V 10.463725 11.456633
275 (A2U)--V 10.620009 12.629769
276 (A1G)--V 10.721125 12.314411
277 (EG)--V 10.747401 11.713695
278 (EG)--V 10.747401 11.713695
279 (A1U)--V 10.756850 11.625738
280 (EU)--V 10.873044 11.799761
281 (EU)--V 10.873044 11.799761
282 (A2G)--V 11.132774 11.969845
283 (A2U)--V 11.556999 13.799424
284 (A1G)--V 11.842272 14.482198
285 (EU)--V 12.785091 15.702302
286 (EU)--V 12.785091 15.702302
287 (EG)--V 12.882624 15.812106
288 (EG)--V 12.882624 15.812106
289 (A2U)--V 26.866186 58.169351
290 (A1G)--V 27.247890 58.758632
Total kinetic energy from orbitals= 7.914908981389D+01
Isotropic Fermi Contact Couplings
Atom a.u. MegaHertz Gauss 10(-4) cm-1
1 C(13) 0.00000 0.00000 0.00000 0.00000
2 C(13) 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
5 H(1) 0.00000 0.00000 0.00000 0.00000
6 H(1) 0.00000 0.00000 0.00000 0.00000
7 H(1) 0.00000 0.00000 0.00000 0.00000
8 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
5 Atom 0.000000 0.000000 0.000000
6 Atom 0.000000 0.000000 0.000000
7 Atom 0.000000 0.000000 0.000000
8 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
5 Atom 0.000000 0.000000 0.000000
6 Atom 0.000000 0.000000 0.000000
7 Atom 0.000000 0.000000 0.000000
8 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 C(13) 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 C(13) 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
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
5 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
6 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
7 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
8 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
---------------------------------------------------------------------------------
No NMR shielding tensors so no spin-rotation constants.
Leave Link 601 at Fri Mar 29 19:54:51 2019, MaxMem= 33554432 cpu: 0.9
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
1\1\GINC-COMPUTE-7-0\SP\ROCCSD(T)-FC\CC-pVQZ\C2H6\LOOS\29-Mar-2019\0\\
#p ROCCSD(T) cc-pVQZ pop=full gfprint\\G2\\0,1\C\C,1,1.53003633\H,1,1.
09484731,2,111.3741399\H,1,1.09484731,2,111.3741399,3,120.,0\H,1,1.094
84731,2,111.3741399,3,-120.,0\H,2,1.09484731,1,111.3741399,3,180.,0\H,
2,1.09484731,1,111.3741399,6,120.,0\H,2,1.09484731,1,111.3741399,6,-12
0.,0\\Version=ES64L-G09RevD.01\State=1-A1G\HF=-79.2647765\MP2=-79.6571
865\MP3=-79.6820301\PUHF=-79.2647765\PMP2-0=-79.6571865\MP4SDQ=-79.683
9253\CCSD=-79.683847\CCSD(T)=-79.698641\RMSD=2.152e-09\PG=D03D [C3(C1.
C1),3SGD(H2)]\\@
A BIRD IN THE HAND IS SAFER THAN ONE OVERHEAD.
-- NEWTON'S SEVENTH LAW
Job cpu time: 0 days 1 hours 15 minutes 34.3 seconds.
File lengths (MBytes): RWF= 3312 Int= 0 D2E= 0 Chk= 8 Scr= 1
Normal termination of Gaussian 09 at Fri Mar 29 19:54:51 2019.
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