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srDFT_G2/G09/Large_core/Molecules/v5z/CH3SH.out
Pierre-Francois Loos ca128a0e6d data
2019-04-04 11:10:45 +02:00

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Entering Gaussian System, Link 0=g09
Input=CH3SH.inp
Output=CH3SH.out
Initial command:
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42440/Gau-121722.inp" -scrdir="/mnt/beegfs/tmpdir/42440/"
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 121723.
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
2-Apr-2019
******************************************
%nproc=24
Will use up to 24 processors via shared memory.
%mem=100GB
-------------------------------------
#p ROCCSD(T) cc-pV5Z pop=full gfprint
-------------------------------------
1/38=1/1;
2/12=2,17=6,18=5,40=1/2;
3/5=16,6=3,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
4//1;
5/5=2,38=5/2;
8/5=-1,6=4,9=120000,10=1/1,4;
9/5=7,14=2/13;
6/7=3/1;
99/5=1,9=1/99;
Leave Link 1 at Tue Apr 2 17:46:55 2019, MaxMem= 13421772800 cpu: 2.1
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
--
G2
--
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
C
S 1 CS
H 2 SH 1 CSH
H 1 CHA 2 HACS 3 180. 0
X 1 1. 2 XCS 3 0. 0
H 1 CHB 5 HALF 2 90. 0
H 1 CHB 5 HALF 2 -90. 0
Variables:
CS 1.82939
SH 1.34584
CHA 1.0914
CHB 1.0907
CSH 97.10359
HACS 106.02326
XCS 129.48465
HALF 55.21416
NAtoms= 6 NQM= 6 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
IAtWgt= 12 32 1 1 1 1
AtmWgt= 12.0000000 31.9720718 1.0078250 1.0078250 1.0078250 1.0078250
NucSpn= 0 0 1 1 1 1
AtZEff= 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
NMagM= 0.0000000 0.0000000 2.7928460 2.7928460 2.7928460 2.7928460
AtZNuc= 6.0000000 16.0000000 1.0000000 1.0000000 1.0000000 1.0000000
Leave Link 101 at Tue Apr 2 17:46:55 2019, MaxMem= 13421772800 cpu: 1.5
(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 16 0 0.000000 0.000000 1.829390
3 1 0 1.335512 0.000000 1.995822
4 1 0 -1.048998 0.000000 -0.301256
5 1 0 0.480253 0.895780 -0.395674
6 1 0 0.480253 -0.895780 -0.395674
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4 5
1 C 0.000000
2 S 1.829390 0.000000
3 H 2.401437 1.345843 0.000000
4 H 1.091399 2.374879 3.310960 0.000000
5 H 1.090698 2.446217 2.693166 1.774808 0.000000
6 H 1.090698 2.446217 2.693166 1.774808 1.791560
6
6 H 0.000000
Stoichiometry CH4S
Framework group CS[SG(CH2S),X(H2)]
Deg. of freedom 8
Full point group CS NOp 2
Largest Abelian subgroup CS NOp 2
Largest concise Abelian subgroup CS NOp 2
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 -0.047962 1.160518 0.000000
2 16 0 -0.047962 -0.668872 0.000000
3 1 0 1.287550 -0.835304 0.000000
4 1 0 -1.096960 1.461774 0.000000
5 1 0 0.432291 1.556192 0.895780
6 1 0 0.432291 1.556192 -0.895780
---------------------------------------------------------------------
Rotational constants (GHZ): 102.6550132 12.7717235 12.2491091
Leave Link 202 at Tue Apr 2 17:46:55 2019, MaxMem= 13421772800 cpu: 0.3
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
Standard basis: CC-pV5Z (5D, 7F)
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
Ernie: 23 primitive shells out of 196 were deleted.
AO basis set (Overlap normalization):
Atom C1 Shell 1 S 9 bf 1 - 1 -0.090635670085 2.193060453655 0.000000000000
0.9677000000D+05 0.4625203266D-04
0.1450000000D+05 0.3324069183D-03
0.3300000000D+04 0.1767277677D-02
0.9358000000D+03 0.7354171702D-02
0.3062000000D+03 0.2611963959D-01
0.1113000000D+03 0.7807287867D-01
0.4390000000D+02 0.1959607249D+00
0.1840000000D+02 0.3683568961D+00
0.8054000000D+01 0.4404591813D+00
Atom C1 Shell 2 S 7 bf 2 - 2 -0.090635670085 2.193060453655 0.000000000000
0.9358000000D+03 -0.5149307386D-04
0.3062000000D+03 -0.1884316386D-03
0.1113000000D+03 -0.2667334384D-02
0.4390000000D+02 -0.1333849355D-01
0.1840000000D+02 -0.7549891227D-01
0.8054000000D+01 -0.2599952349D+00
0.3637000000D+01 -0.6974918333D+00
Atom C1 Shell 3 S 1 bf 3 - 3 -0.090635670085 2.193060453655 0.000000000000
0.1656000000D+01 0.1000000000D+01
Atom C1 Shell 4 S 1 bf 4 - 4 -0.090635670085 2.193060453655 0.000000000000
0.6333000000D+00 0.1000000000D+01
Atom C1 Shell 5 S 1 bf 5 - 5 -0.090635670085 2.193060453655 0.000000000000
0.2545000000D+00 0.1000000000D+01
Atom C1 Shell 6 S 1 bf 6 - 6 -0.090635670085 2.193060453655 0.000000000000
0.1019000000D+00 0.1000000000D+01
Atom C1 Shell 7 P 4 bf 7 - 9 -0.090635670085 2.193060453655 0.000000000000
0.1018000000D+03 0.6748259919D-02
0.2404000000D+02 0.5283486105D-01
0.7571000000D+01 0.2398548186D+00
0.2732000000D+01 0.7877211236D+00
Atom C1 Shell 8 P 1 bf 10 - 12 -0.090635670085 2.193060453655 0.000000000000
0.1085000000D+01 0.1000000000D+01
Atom C1 Shell 9 P 1 bf 13 - 15 -0.090635670085 2.193060453655 0.000000000000
0.4496000000D+00 0.1000000000D+01
Atom C1 Shell 10 P 1 bf 16 - 18 -0.090635670085 2.193060453655 0.000000000000
0.1876000000D+00 0.1000000000D+01
Atom C1 Shell 11 P 1 bf 19 - 21 -0.090635670085 2.193060453655 0.000000000000
0.7606000000D-01 0.1000000000D+01
Atom C1 Shell 12 D 1 bf 22 - 26 -0.090635670085 2.193060453655 0.000000000000
0.3134000000D+01 0.1000000000D+01
Atom C1 Shell 13 D 1 bf 27 - 31 -0.090635670085 2.193060453655 0.000000000000
0.1233000000D+01 0.1000000000D+01
Atom C1 Shell 14 D 1 bf 32 - 36 -0.090635670085 2.193060453655 0.000000000000
0.4850000000D+00 0.1000000000D+01
Atom C1 Shell 15 D 1 bf 37 - 41 -0.090635670085 2.193060453655 0.000000000000
0.1910000000D+00 0.1000000000D+01
Atom C1 Shell 16 F 1 bf 42 - 48 -0.090635670085 2.193060453655 0.000000000000
0.2006000000D+01 0.1000000000D+01
Atom C1 Shell 17 F 1 bf 49 - 55 -0.090635670085 2.193060453655 0.000000000000
0.8380000000D+00 0.1000000000D+01
Atom C1 Shell 18 F 1 bf 56 - 62 -0.090635670085 2.193060453655 0.000000000000
0.3500000000D+00 0.1000000000D+01
Atom C1 Shell 19 G 1 bf 63 - 71 -0.090635670085 2.193060453655 0.000000000000
0.1753000000D+01 0.1000000000D+01
Atom C1 Shell 20 G 1 bf 72 - 80 -0.090635670085 2.193060453655 0.000000000000
0.6780000000D+00 0.1000000000D+01
Atom C1 Shell 21 H 1 bf 81 - 91 -0.090635670085 2.193060453655 0.000000000000
0.1259000000D+01 0.1000000000D+01
Atom S2 Shell 22 S 14 bf 92 - 92 -0.090635670085 -1.263985693276 0.000000000000
0.5481000000D+07 0.1890848184D-05
0.8206000000D+06 0.1472665476D-04
0.1867000000D+06 0.7754533000D-04
0.5288000000D+05 0.3273682939D-03
0.1725000000D+05 0.1194193128D-02
0.6226000000D+04 0.3885677992D-02
0.2429000000D+04 0.1153878457D-01
0.1007000000D+04 0.3128839222D-01
0.4395000000D+03 0.7647063933D-01
0.1998000000D+03 0.1627589358D+00
0.9392000000D+02 0.2794030593D+00
0.4534000000D+02 0.3331494181D+00
0.2215000000D+02 0.2097751397D+00
0.1034000000D+02 0.4177825994D-01
Atom S2 Shell 23 S 10 bf 93 - 93 -0.090635670085 -1.263985693276 0.000000000000
0.6226000000D+04 -0.1644189856D-04
0.2429000000D+04 -0.8395175187D-04
0.1007000000D+04 -0.7182549774D-03
0.4395000000D+03 -0.3628211117D-02
0.1998000000D+03 -0.1835728690D-01
0.9392000000D+02 -0.6694700200D-01
0.4534000000D+02 -0.1887536533D+00
0.2215000000D+02 -0.2235570573D+00
0.1034000000D+02 0.2454686226D+00
0.5119000000D+01 0.9898434778D+00
Atom S2 Shell 24 S 8 bf 94 - 94 -0.090635670085 -1.263985693276 0.000000000000
0.1007000000D+04 -0.3782362208D-04
0.1998000000D+03 -0.3587621949D-03
0.9392000000D+02 0.1946162618D-03
0.4534000000D+02 0.3259358424D-03
0.2215000000D+02 0.9353087478D-02
0.1034000000D+02 -0.1512627564D-01
0.5119000000D+01 -0.1619403854D+00
0.2553000000D+01 -0.8432237352D+00
Atom S2 Shell 25 S 1 bf 95 - 95 -0.090635670085 -1.263985693276 0.000000000000
0.1282000000D+01 0.1000000000D+01
Atom S2 Shell 26 S 1 bf 96 - 96 -0.090635670085 -1.263985693276 0.000000000000
0.5450000000D+00 0.1000000000D+01
Atom S2 Shell 27 S 1 bf 97 - 97 -0.090635670085 -1.263985693276 0.000000000000
0.2411000000D+00 0.1000000000D+01
Atom S2 Shell 28 S 1 bf 98 - 98 -0.090635670085 -1.263985693276 0.000000000000
0.1035000000D+00 0.1000000000D+01
Atom S2 Shell 29 P 7 bf 99 - 101 -0.090635670085 -1.263985693276 0.000000000000
0.2200000000D+04 0.6954977303D-03
0.5214000000D+03 0.5926364796D-02
0.1690000000D+03 0.3140579565D-01
0.6405000000D+02 0.1129114949D+00
0.2672000000D+02 0.2790708459D+00
0.1183000000D+02 0.4300466475D+00
0.5378000000D+01 0.3095957802D+00
Atom S2 Shell 30 P 6 bf 102 - 104 -0.090635670085 -1.263985693276 0.000000000000
0.1690000000D+03 -0.3563831170D-03
0.6405000000D+02 -0.6962694791D-02
0.2672000000D+02 -0.4853844701D-01
0.1183000000D+02 -0.1831657083D+00
0.5378000000D+01 -0.4179558450D+00
0.2482000000D+01 -0.4592137962D+00
Atom S2 Shell 31 P 1 bf 105 - 107 -0.090635670085 -1.263985693276 0.000000000000
0.1116000000D+01 0.1000000000D+01
Atom S2 Shell 32 P 1 bf 108 - 110 -0.090635670085 -1.263985693276 0.000000000000
0.4848000000D+00 0.1000000000D+01
Atom S2 Shell 33 P 1 bf 111 - 113 -0.090635670085 -1.263985693276 0.000000000000
0.2006000000D+00 0.1000000000D+01
Atom S2 Shell 34 P 1 bf 114 - 116 -0.090635670085 -1.263985693276 0.000000000000
0.7951000000D-01 0.1000000000D+01
Atom S2 Shell 35 D 1 bf 117 - 121 -0.090635670085 -1.263985693276 0.000000000000
0.2050000000D+00 0.1000000000D+01
Atom S2 Shell 36 D 1 bf 122 - 126 -0.090635670085 -1.263985693276 0.000000000000
0.5120000000D+00 0.1000000000D+01
Atom S2 Shell 37 D 1 bf 127 - 131 -0.090635670085 -1.263985693276 0.000000000000
0.1281000000D+01 0.1000000000D+01
Atom S2 Shell 38 D 1 bf 132 - 136 -0.090635670085 -1.263985693276 0.000000000000
0.3203000000D+01 0.1000000000D+01
Atom S2 Shell 39 F 1 bf 137 - 143 -0.090635670085 -1.263985693276 0.000000000000
0.2550000000D+00 0.1000000000D+01
Atom S2 Shell 40 F 1 bf 144 - 150 -0.090635670085 -1.263985693276 0.000000000000
0.5290000000D+00 0.1000000000D+01
Atom S2 Shell 41 F 1 bf 151 - 157 -0.090635670085 -1.263985693276 0.000000000000
0.1096000000D+01 0.1000000000D+01
Atom S2 Shell 42 G 1 bf 158 - 166 -0.090635670085 -1.263985693276 0.000000000000
0.4630000000D+00 0.1000000000D+01
Atom S2 Shell 43 G 1 bf 167 - 175 -0.090635670085 -1.263985693276 0.000000000000
0.1071000000D+01 0.1000000000D+01
Atom S2 Shell 44 H 1 bf 176 - 186 -0.090635670085 -1.263985693276 0.000000000000
0.8720000000D+00 0.1000000000D+01
Atom H3 Shell 45 S 4 bf 187 - 187 2.433116402610 -1.578496271018 0.000000000000
0.4020000000D+03 0.5088104278D-02
0.6024000000D+02 0.3948295972D-01
0.1373000000D+02 0.2042718854D+00
0.3905000000D+01 0.8184370745D+00
Atom H3 Shell 46 S 1 bf 188 - 188 2.433116402610 -1.578496271018 0.000000000000
0.1283000000D+01 0.1000000000D+01
Atom H3 Shell 47 S 1 bf 189 - 189 2.433116402610 -1.578496271018 0.000000000000
0.4655000000D+00 0.1000000000D+01
Atom H3 Shell 48 S 1 bf 190 - 190 2.433116402610 -1.578496271018 0.000000000000
0.1811000000D+00 0.1000000000D+01
Atom H3 Shell 49 S 1 bf 191 - 191 2.433116402610 -1.578496271018 0.000000000000
0.7279000000D-01 0.1000000000D+01
Atom H3 Shell 50 P 1 bf 192 - 194 2.433116402610 -1.578496271018 0.000000000000
0.4516000000D+01 0.1000000000D+01
Atom H3 Shell 51 P 1 bf 195 - 197 2.433116402610 -1.578496271018 0.000000000000
0.1712000000D+01 0.1000000000D+01
Atom H3 Shell 52 P 1 bf 198 - 200 2.433116402610 -1.578496271018 0.000000000000
0.6490000000D+00 0.1000000000D+01
Atom H3 Shell 53 P 1 bf 201 - 203 2.433116402610 -1.578496271018 0.000000000000
0.2460000000D+00 0.1000000000D+01
Atom H3 Shell 54 D 1 bf 204 - 208 2.433116402610 -1.578496271018 0.000000000000
0.2950000000D+01 0.1000000000D+01
Atom H3 Shell 55 D 1 bf 209 - 213 2.433116402610 -1.578496271018 0.000000000000
0.1206000000D+01 0.1000000000D+01
Atom H3 Shell 56 D 1 bf 214 - 218 2.433116402610 -1.578496271018 0.000000000000
0.4930000000D+00 0.1000000000D+01
Atom H3 Shell 57 F 1 bf 219 - 225 2.433116402610 -1.578496271018 0.000000000000
0.2506000000D+01 0.1000000000D+01
Atom H3 Shell 58 F 1 bf 226 - 232 2.433116402610 -1.578496271018 0.000000000000
0.8750000000D+00 0.1000000000D+01
Atom H3 Shell 59 G 1 bf 233 - 241 2.433116402610 -1.578496271018 0.000000000000
0.2358000000D+01 0.1000000000D+01
Atom H4 Shell 60 S 4 bf 242 - 242 -2.072954395657 2.762352079608 0.000000000000
0.4020000000D+03 0.5088104278D-02
0.6024000000D+02 0.3948295972D-01
0.1373000000D+02 0.2042718854D+00
0.3905000000D+01 0.8184370745D+00
Atom H4 Shell 61 S 1 bf 243 - 243 -2.072954395657 2.762352079608 0.000000000000
0.1283000000D+01 0.1000000000D+01
Atom H4 Shell 62 S 1 bf 244 - 244 -2.072954395657 2.762352079608 0.000000000000
0.4655000000D+00 0.1000000000D+01
Atom H4 Shell 63 S 1 bf 245 - 245 -2.072954395657 2.762352079608 0.000000000000
0.1811000000D+00 0.1000000000D+01
Atom H4 Shell 64 S 1 bf 246 - 246 -2.072954395657 2.762352079608 0.000000000000
0.7279000000D-01 0.1000000000D+01
Atom H4 Shell 65 P 1 bf 247 - 249 -2.072954395657 2.762352079608 0.000000000000
0.4516000000D+01 0.1000000000D+01
Atom H4 Shell 66 P 1 bf 250 - 252 -2.072954395657 2.762352079608 0.000000000000
0.1712000000D+01 0.1000000000D+01
Atom H4 Shell 67 P 1 bf 253 - 255 -2.072954395657 2.762352079608 0.000000000000
0.6490000000D+00 0.1000000000D+01
Atom H4 Shell 68 P 1 bf 256 - 258 -2.072954395657 2.762352079608 0.000000000000
0.2460000000D+00 0.1000000000D+01
Atom H4 Shell 69 D 1 bf 259 - 263 -2.072954395657 2.762352079608 0.000000000000
0.2950000000D+01 0.1000000000D+01
Atom H4 Shell 70 D 1 bf 264 - 268 -2.072954395657 2.762352079608 0.000000000000
0.1206000000D+01 0.1000000000D+01
Atom H4 Shell 71 D 1 bf 269 - 273 -2.072954395657 2.762352079608 0.000000000000
0.4930000000D+00 0.1000000000D+01
Atom H4 Shell 72 F 1 bf 274 - 280 -2.072954395657 2.762352079608 0.000000000000
0.2506000000D+01 0.1000000000D+01
Atom H4 Shell 73 F 1 bf 281 - 287 -2.072954395657 2.762352079608 0.000000000000
0.8750000000D+00 0.1000000000D+01
Atom H4 Shell 74 G 1 bf 288 - 296 -2.072954395657 2.762352079608 0.000000000000
0.2358000000D+01 0.1000000000D+01
Atom H5 Shell 75 S 4 bf 297 - 297 0.816911367463 2.940776280946 1.692778433249
0.4020000000D+03 0.5088104278D-02
0.6024000000D+02 0.3948295972D-01
0.1373000000D+02 0.2042718854D+00
0.3905000000D+01 0.8184370745D+00
Atom H5 Shell 76 S 1 bf 298 - 298 0.816911367463 2.940776280946 1.692778433249
0.1283000000D+01 0.1000000000D+01
Atom H5 Shell 77 S 1 bf 299 - 299 0.816911367463 2.940776280946 1.692778433249
0.4655000000D+00 0.1000000000D+01
Atom H5 Shell 78 S 1 bf 300 - 300 0.816911367463 2.940776280946 1.692778433249
0.1811000000D+00 0.1000000000D+01
Atom H5 Shell 79 S 1 bf 301 - 301 0.816911367463 2.940776280946 1.692778433249
0.7279000000D-01 0.1000000000D+01
Atom H5 Shell 80 P 1 bf 302 - 304 0.816911367463 2.940776280946 1.692778433249
0.4516000000D+01 0.1000000000D+01
Atom H5 Shell 81 P 1 bf 305 - 307 0.816911367463 2.940776280946 1.692778433249
0.1712000000D+01 0.1000000000D+01
Atom H5 Shell 82 P 1 bf 308 - 310 0.816911367463 2.940776280946 1.692778433249
0.6490000000D+00 0.1000000000D+01
Atom H5 Shell 83 P 1 bf 311 - 313 0.816911367463 2.940776280946 1.692778433249
0.2460000000D+00 0.1000000000D+01
Atom H5 Shell 84 D 1 bf 314 - 318 0.816911367463 2.940776280946 1.692778433249
0.2950000000D+01 0.1000000000D+01
Atom H5 Shell 85 D 1 bf 319 - 323 0.816911367463 2.940776280946 1.692778433249
0.1206000000D+01 0.1000000000D+01
Atom H5 Shell 86 D 1 bf 324 - 328 0.816911367463 2.940776280946 1.692778433249
0.4930000000D+00 0.1000000000D+01
Atom H5 Shell 87 F 1 bf 329 - 335 0.816911367463 2.940776280946 1.692778433249
0.2506000000D+01 0.1000000000D+01
Atom H5 Shell 88 F 1 bf 336 - 342 0.816911367463 2.940776280946 1.692778433249
0.8750000000D+00 0.1000000000D+01
Atom H5 Shell 89 G 1 bf 343 - 351 0.816911367463 2.940776280946 1.692778433249
0.2358000000D+01 0.1000000000D+01
Atom H6 Shell 90 S 4 bf 352 - 352 0.816911367463 2.940776280946 -1.692778433249
0.4020000000D+03 0.5088104278D-02
0.6024000000D+02 0.3948295972D-01
0.1373000000D+02 0.2042718854D+00
0.3905000000D+01 0.8184370745D+00
Atom H6 Shell 91 S 1 bf 353 - 353 0.816911367463 2.940776280946 -1.692778433249
0.1283000000D+01 0.1000000000D+01
Atom H6 Shell 92 S 1 bf 354 - 354 0.816911367463 2.940776280946 -1.692778433249
0.4655000000D+00 0.1000000000D+01
Atom H6 Shell 93 S 1 bf 355 - 355 0.816911367463 2.940776280946 -1.692778433249
0.1811000000D+00 0.1000000000D+01
Atom H6 Shell 94 S 1 bf 356 - 356 0.816911367463 2.940776280946 -1.692778433249
0.7279000000D-01 0.1000000000D+01
Atom H6 Shell 95 P 1 bf 357 - 359 0.816911367463 2.940776280946 -1.692778433249
0.4516000000D+01 0.1000000000D+01
Atom H6 Shell 96 P 1 bf 360 - 362 0.816911367463 2.940776280946 -1.692778433249
0.1712000000D+01 0.1000000000D+01
Atom H6 Shell 97 P 1 bf 363 - 365 0.816911367463 2.940776280946 -1.692778433249
0.6490000000D+00 0.1000000000D+01
Atom H6 Shell 98 P 1 bf 366 - 368 0.816911367463 2.940776280946 -1.692778433249
0.2460000000D+00 0.1000000000D+01
Atom H6 Shell 99 D 1 bf 369 - 373 0.816911367463 2.940776280946 -1.692778433249
0.2950000000D+01 0.1000000000D+01
Atom H6 Shell 100 D 1 bf 374 - 378 0.816911367463 2.940776280946 -1.692778433249
0.1206000000D+01 0.1000000000D+01
Atom H6 Shell 101 D 1 bf 379 - 383 0.816911367463 2.940776280946 -1.692778433249
0.4930000000D+00 0.1000000000D+01
Atom H6 Shell 102 F 1 bf 384 - 390 0.816911367463 2.940776280946 -1.692778433249
0.2506000000D+01 0.1000000000D+01
Atom H6 Shell 103 F 1 bf 391 - 397 0.816911367463 2.940776280946 -1.692778433249
0.8750000000D+00 0.1000000000D+01
Atom H6 Shell 104 G 1 bf 398 - 406 0.816911367463 2.940776280946 -1.692778433249
0.2358000000D+01 0.1000000000D+01
There are 325 symmetry adapted cartesian basis functions of A' symmetry.
There are 211 symmetry adapted cartesian basis functions of A" symmetry.
There are 240 symmetry adapted basis functions of A' symmetry.
There are 166 symmetry adapted basis functions of A" symmetry.
406 basis functions, 633 primitive gaussians, 536 cartesian basis functions
13 alpha electrons 13 beta electrons
nuclear repulsion energy 56.0459244567 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= 6 NActive= 6 NUniq= 5 SFac= 1.44D+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 Tue Apr 2 17:46:55 2019, MaxMem= 13421772800 cpu: 1.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l302.exe)
NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1
NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.
One-electron integrals computed using PRISM.
One-electron integral symmetry used in STVInt
NBasis= 406 RedAO= T EigKep= 2.35D-05 NBF= 240 166
NBsUse= 406 1.00D-06 EigRej= -1.00D+00 NBFU= 240 166
Leave Link 302 at Tue Apr 2 17:46:56 2019, MaxMem= 13421772800 cpu: 11.9
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
DipDrv: MaxL=1.
Leave Link 303 at Tue Apr 2 17:46:56 2019, MaxMem= 13421772800 cpu: 2.1
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
ExpMin= 7.28D-02 ExpMax= 5.48D+06 ExpMxC= 2.43D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00
Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess.
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14
ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T
wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
Harris En= -437.540166457601
JPrj=0 DoOrth=F DoCkMO=F.
Initial guess orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A") (A') (A') (A') (A")
(A') (A') (A")
Virtual (A') (A') (A') (A') (A") (A') (A") (A') (A') (A')
(A") (A") (A') (A') (A") (A') (A") (A') (A') (A')
(A') (A") (A') (A') (A") (A') (A") (A') (A') (A")
(A') (A") (A') (A") (A') (A') (A') (A") (A') (A")
(A") (A') (A') (A") (A') (A') (A') (A") (A') (A')
(A') (A") (A') (A") (A') (A") (A') (A') (A") (A")
(A') (A') (A") (A') (A') (A") (A') (A") (A') (A")
(A') (A") (A') (A") (A') (A') (A") (A") (A') (A')
(A') (A") (A') (A') (A") (A') (A') (A") (A") (A')
(A') (A") (A') (A') (A') (A') (A") (A") (A") (A")
(A') (A') (A") (A') (A') (A") (A') (A') (A') (A")
(A') (A") (A') (A') (A") (A') (A") (A') (A") (A')
(A") (A') (A') (A') (A") (A') (A") (A') (A") (A')
(A") (A') (A') (A") (A') (A") (A') (A") (A') (A")
(A') (A') (A") (A") (A') (A') (A") (A') (A') (A")
(A") (A') (A') (A") (A') (A') (A") (A') (A') (A")
(A") (A") (A') (A') (A") (A') (A") (A') (A') (A")
(A') (A") (A') (A") (A') (A') (A") (A") (A') (A")
(A') (A") (A') (A") (A') (A") (A') (A') (A') (A')
(A") (A") (A') (A') (A') (A") (A') (A') (A") (A")
(A') (A') (A") (A") (A') (A') (A') (A") (A') (A")
(A") (A') (A') (A') (A") (A') (A') (A") (A") (A')
(A") (A') (A") (A') (A') (A') (A") (A') (A") (A')
(A") (A') (A") (A') (A") (A') (A") (A') (A") (A')
(A') (A") (A') (A') (A") (A') (A') (A') (A") (A")
(A') (A') (A") (A") (A') (A") (A') (A') (A') (A")
(A') (A') (A") (A') (A") (A') (A') (A") (A") (A')
(A") (A') (A') (A") (A') (A') (A') (A") (A') (A")
(A') (A') (A") (A") (A') (A") (A") (A') (A") (A')
(A") (A") (A') (A') (A") (A") (A') (A') (A") (A')
(A') (A') (A") (A") (A') (A") (A') (A") (A') (A")
(A') (A') (A") (A') (A') (A") (A') (A") (A') (A')
(A") (A") (A') (A') (A") (A") (A') (A") (A') (A")
(A') (A") (A') (A") (A') (A') (A") (A') (A') (A")
(A') (A") (A') (A') (A") (A') (A") (A') (A') (A")
(A') (A") (A') (A") (A') (A') (A") (A') (A') (A')
(A") (A") (A') (A") (A') (A') (A") (A") (A") (A')
(A") (A') (A') (A") (A') (A') (A") (A') (A") (A')
(A") (A') (A") (A') (A') (A') (A') (A") (A") (A')
(A') (A') (A')
The electronic state of the initial guess is 1-A'.
Leave Link 401 at Tue Apr 2 17:46:57 2019, MaxMem= 13421772800 cpu: 25.7
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe)
Restricted open shell SCF:
Using DIIS extrapolation, IDIIS= 1040.
Integral symmetry usage will be decided dynamically.
Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=5127351093.
IVT= 897554 IEndB= 897554 NGot= 13421772800 MDV= 10003183205
LenX= 10003183205 LenY= 10002895373
Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
Requested convergence on MAX density matrix=1.00D-06.
Requested convergence on energy=1.00D-06.
No special actions if energy rises.
FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0
NMat0= 1 NMatS0= 82621 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
Cycle 1 Pass 1 IDiag 1:
E= -437.640809732353
DIIS: error= 2.83D-02 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -437.640809732353 IErMin= 1 ErrMin= 2.83D-02
ErrMax= 2.83D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-01 BMatP= 3.05D-01
IDIUse=3 WtCom= 7.17D-01 WtEn= 2.83D-01
Coeff-Com: 0.100D+01
Coeff-En: 0.100D+01
Coeff: 0.100D+01
Gap= 0.556 Goal= None Shift= 0.000
GapD= 0.556 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
RMSDP=7.18D-04 MaxDP=5.33D-02 OVMax= 1.32D-01
Cycle 2 Pass 1 IDiag 1:
E= -437.743100249753 Delta-E= -0.102290517400 Rises=F Damp=F
DIIS: error= 1.24D-02 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -437.743100249753 IErMin= 2 ErrMin= 1.24D-02
ErrMax= 1.24D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-02 BMatP= 3.05D-01
IDIUse=3 WtCom= 8.76D-01 WtEn= 1.24D-01
Coeff-Com: 0.132D+00 0.868D+00
Coeff-En: 0.000D+00 0.100D+01
Coeff: 0.115D+00 0.885D+00
Gap= 0.455 Goal= None Shift= 0.000
RMSDP=2.08D-04 MaxDP=1.93D-02 DE=-1.02D-01 OVMax= 5.40D-02
Cycle 3 Pass 1 IDiag 1:
E= -437.762973109101 Delta-E= -0.019872859348 Rises=F Damp=F
DIIS: error= 4.26D-03 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -437.762973109101 IErMin= 3 ErrMin= 4.26D-03
ErrMax= 4.26D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-03 BMatP= 2.54D-02
IDIUse=3 WtCom= 9.57D-01 WtEn= 4.26D-02
Coeff-Com: -0.235D-01 0.229D+00 0.794D+00
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.225D-01 0.219D+00 0.803D+00
Gap= 0.446 Goal= None Shift= 0.000
RMSDP=6.45D-05 MaxDP=4.39D-03 DE=-1.99D-02 OVMax= 1.69D-02
Cycle 4 Pass 1 IDiag 1:
E= -437.765888603239 Delta-E= -0.002915494138 Rises=F Damp=F
DIIS: error= 5.16D-04 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -437.765888603239 IErMin= 4 ErrMin= 5.16D-04
ErrMax= 5.16D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-05 BMatP= 3.09D-03
IDIUse=3 WtCom= 9.95D-01 WtEn= 5.16D-03
Coeff-Com: -0.201D-02-0.104D-01 0.302D-01 0.982D+00
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.200D-02-0.103D-01 0.301D-01 0.982D+00
Gap= 0.444 Goal= None Shift= 0.000
RMSDP=1.39D-05 MaxDP=9.86D-04 DE=-2.92D-03 OVMax= 2.47D-03
Cycle 5 Pass 1 IDiag 1:
E= -437.765937479224 Delta-E= -0.000048875984 Rises=F Damp=F
DIIS: error= 1.40D-04 at cycle 5 NSaved= 5.
NSaved= 5 IEnMin= 5 EnMin= -437.765937479224 IErMin= 5 ErrMin= 1.40D-04
ErrMax= 1.40D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-06 BMatP= 3.00D-05
IDIUse=3 WtCom= 9.99D-01 WtEn= 1.40D-03
Coeff-Com: 0.178D-02-0.153D-01-0.552D-01-0.144D+00 0.121D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.177D-02-0.153D-01-0.552D-01-0.144D+00 0.121D+01
Gap= 0.444 Goal= None Shift= 0.000
RMSDP=7.51D-06 MaxDP=4.66D-04 DE=-4.89D-05 OVMax= 1.17D-03
Cycle 6 Pass 1 IDiag 1:
E= -437.765944914986 Delta-E= -0.000007435763 Rises=F Damp=F
DIIS: error= 2.21D-05 at cycle 6 NSaved= 6.
NSaved= 6 IEnMin= 6 EnMin= -437.765944914986 IErMin= 6 ErrMin= 2.21D-05
ErrMax= 2.21D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-07 BMatP= 2.74D-06
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.152D-03-0.352D-03-0.320D-02-0.319D-01-0.379D-01 0.107D+01
Coeff: 0.152D-03-0.352D-03-0.320D-02-0.319D-01-0.379D-01 0.107D+01
Gap= 0.444 Goal= None Shift= 0.000
RMSDP=1.94D-06 MaxDP=1.17D-04 DE=-7.44D-06 OVMax= 2.61D-04
Cycle 7 Pass 1 IDiag 1:
E= -437.765945237917 Delta-E= -0.000000322931 Rises=F Damp=F
DIIS: error= 6.37D-06 at cycle 7 NSaved= 7.
NSaved= 7 IEnMin= 7 EnMin= -437.765945237917 IErMin= 7 ErrMin= 6.37D-06
ErrMax= 6.37D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 7.96D-09 BMatP= 1.02D-07
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.115D-03 0.859D-03 0.353D-02 0.140D-01-0.568D-01-0.233D+00
Coeff-Com: 0.127D+01
Coeff: -0.115D-03 0.859D-03 0.353D-02 0.140D-01-0.568D-01-0.233D+00
Coeff: 0.127D+01
Gap= 0.444 Goal= None Shift= 0.000
RMSDP=7.39D-07 MaxDP=4.97D-05 DE=-3.23D-07 OVMax= 9.34D-05
Cycle 8 Pass 1 IDiag 1:
E= -437.765945267251 Delta-E= -0.000000029334 Rises=F Damp=F
DIIS: error= 1.82D-06 at cycle 8 NSaved= 8.
NSaved= 8 IEnMin= 8 EnMin= -437.765945267251 IErMin= 8 ErrMin= 1.82D-06
ErrMax= 1.82D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.23D-10 BMatP= 7.96D-09
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.105D-04-0.134D-03-0.461D-03-0.976D-03 0.159D-01-0.314D-01
Coeff-Com: -0.234D+00 0.125D+01
Coeff: 0.105D-04-0.134D-03-0.461D-03-0.976D-03 0.159D-01-0.314D-01
Coeff: -0.234D+00 0.125D+01
Gap= 0.444 Goal= None Shift= 0.000
RMSDP=1.86D-07 MaxDP=1.26D-05 DE=-2.93D-08 OVMax= 2.76D-05
Cycle 9 Pass 1 IDiag 1:
E= -437.765945269251 Delta-E= -0.000000002000 Rises=F Damp=F
DIIS: error= 3.72D-07 at cycle 9 NSaved= 9.
NSaved= 9 IEnMin= 9 EnMin= -437.765945269251 IErMin= 9 ErrMin= 3.72D-07
ErrMax= 3.72D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-11 BMatP= 5.23D-10
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.550D-05-0.353D-04-0.156D-03-0.127D-02 0.283D-02 0.212D-01
Coeff-Com: -0.760D-01-0.626D-01 0.112D+01
Coeff: 0.550D-05-0.353D-04-0.156D-03-0.127D-02 0.283D-02 0.212D-01
Coeff: -0.760D-01-0.626D-01 0.112D+01
Gap= 0.444 Goal= None Shift= 0.000
RMSDP=3.43D-08 MaxDP=2.27D-06 DE=-2.00D-09 OVMax= 7.73D-06
Cycle 10 Pass 1 IDiag 1:
E= -437.765945269376 Delta-E= -0.000000000125 Rises=F Damp=F
DIIS: error= 1.32D-07 at cycle 10 NSaved= 10.
NSaved=10 IEnMin=10 EnMin= -437.765945269376 IErMin=10 ErrMin= 1.32D-07
ErrMax= 1.32D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-12 BMatP= 3.90D-11
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.148D-05 0.165D-04 0.685D-04 0.116D-03-0.137D-02-0.358D-03
Coeff-Com: 0.291D-01-0.106D+00-0.142D+00 0.122D+01
Coeff: -0.148D-05 0.165D-04 0.685D-04 0.116D-03-0.137D-02-0.358D-03
Coeff: 0.291D-01-0.106D+00-0.142D+00 0.122D+01
Gap= 0.444 Goal= None Shift= 0.000
RMSDP=1.07D-08 MaxDP=5.68D-07 DE=-1.25D-10 OVMax= 2.51D-06
Cycle 11 Pass 1 IDiag 1:
E= -437.765945269385 Delta-E= -0.000000000008 Rises=F Damp=F
DIIS: error= 2.73D-08 at cycle 11 NSaved= 11.
NSaved=11 IEnMin=11 EnMin= -437.765945269385 IErMin=11 ErrMin= 2.73D-08
ErrMax= 2.73D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 8.86D-14 BMatP= 3.15D-12
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.197D-06-0.317D-05-0.120D-04 0.602D-05 0.279D-03-0.614D-03
Coeff-Com: -0.479D-02 0.276D-01 0.112D-01-0.339D+00 0.131D+01
Coeff: 0.197D-06-0.317D-05-0.120D-04 0.602D-05 0.279D-03-0.614D-03
Coeff: -0.479D-02 0.276D-01 0.112D-01-0.339D+00 0.131D+01
Gap= 0.444 Goal= None Shift= 0.000
RMSDP=1.86D-09 MaxDP=9.96D-08 DE=-8.36D-12 OVMax= 3.52D-07
SCF Done: E(ROHF) = -437.765945269 A.U. after 11 cycles
NFock= 11 Conv=0.19D-08 -V/T= 2.0002
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
<L.S>= 0.000000000000E+00
KE= 4.376628294047D+02 PE=-1.152273399417D+03 EE= 2.207987002866D+02
Annihilation of the first spin contaminant:
S**2 before annihilation 0.0000, after 0.0000
Leave Link 502 at Tue Apr 2 17:48:15 2019, MaxMem= 13421772800 cpu: 1869.6
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe)
Windowed orbitals will be sorted by symmetry type.
GenMOA: NOpAll= 2 NOp2=2 NOpUse= 2 JSym2X=1
FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F
IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 1.
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
ExpMin= 7.28D-02 ExpMax= 5.48D+06 ExpMxC= 2.43D+03 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 4.87D-04
Largest core mixing into a valence orbital is 9.51D-05
Largest valence mixing into a core orbital is 4.87D-04
Largest core mixing into a valence orbital is 9.51D-05
Range of M.O.s used for correlation: 7 406
NBasis= 406 NAE= 13 NBE= 13 NFC= 6 NFV= 0
NROrb= 400 NOA= 7 NOB= 7 NVA= 393 NVB= 393
**** Warning!!: The largest alpha MO coefficient is 0.41254808D+02
**** Warning!!: The largest beta MO coefficient is 0.41254808D+02
Singles contribution to E2= -0.1001950154D-13
Leave Link 801 at Tue Apr 2 17:48:37 2019, MaxMem= 13421772800 cpu: 520.4
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
Open-shell transformation, MDV= 13421772800 ITran=4 ISComp=2.
Semi-Direct transformation.
ModeAB= 4 MOrb= 7 LenV= 13416951901
LASXX= 110800964 LTotXX= 110800964 LenRXX= 222515789
LTotAB= 111714825 MaxLAS= 312460400 LenRXY= 0
NonZer= 333316753 LenScr= 500301824 LnRSAI= 312460400
LnScr1= 469303296 LExtra= 0 Total= 1504581309
MaxDsk= -1 SrtSym= T ITran= 4
DoSDTr: NPSUse= 24
JobTyp=1 Pass 1: I= 1 to 7.
(rs|ai) integrals will be sorted in core.
Complete sort for first half transformation.
First half transformation complete.
Complete sort for second half transformation.
Second half transformation complete.
ModeAB= 4 MOrb= 7 LenV= 13416951901
LASXX= 110800964 LTotXX= 110800964 LenRXX= 218632528
LTotAB= 107831564 MaxLAS= 312460400 LenRXY= 0
NonZer= 329433492 LenScr= 494796800 LnRSAI= 312460400
LnScr1= 469303296 LExtra= 0 Total= 1495193024
MaxDsk= -1 SrtSym= T ITran= 4
DoSDTr: NPSUse= 24
JobTyp=2 Pass 1: I= 1 to 7.
(rs|ai) integrals will be sorted in core.
Complete sort for first half transformation.
First half transformation complete.
Complete sort for second half transformation.
Second half transformation complete.
Spin components of T(2) and E(2):
alpha-alpha T2 = 0.1588279282D-01 E2= -0.4077089627D-01
alpha-beta T2 = 0.1058511126D+00 E2= -0.3193449072D+00
beta-beta T2 = 0.1588279282D-01 E2= -0.4077089627D-01
ANorm= 0.1066591158D+01
E2 = -0.4008866998D+00 EUMP2 = -0.43816683196916D+03
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
E(PUHF)= -0.43776594527D+03 E(PMP2)= -0.43816683197D+03
Leave Link 804 at Tue Apr 2 17:51:21 2019, MaxMem= 13421772800 cpu: 3928.4
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
CIDS: MDV= 13421772800.
Frozen-core window: NFC= 6 NFV= 0.
IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0
Using original routines for 1st iteration, S=T.
Using DD4UQ or CC4UQ for 2nd and later iterations.
Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=5126455737.
FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0
NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T
wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0
NMat0= 1 NMatS0= 82621 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
CCSD(T)
=======
Iterations= 50 Convergence= 0.100D-06
Iteration Nr. 1
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
MP4(R+Q)= 0.37661572D-01
Maximum subspace dimension= 5
Norm of the A-vectors is 1.2236379D-01 conv= 1.00D-05.
RLE energy= -0.3896397766
E3= -0.26090007D-01 EROMP3= -0.43819292198D+03
E4(SDQ)= -0.35826325D-03 ROMP4(SDQ)= -0.43819328024D+03
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
DE(Corr)= -0.38931513 E(Corr)= -438.15526040
NORM(A)= 0.10620850D+01
Iteration Nr. 2
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 4.6333578D-01 conv= 1.00D-05.
RLE energy= -0.3959610469
DE(Corr)= -0.41493745 E(CORR)= -438.18088272 Delta=-2.56D-02
NORM(A)= 0.10647281D+01
Iteration Nr. 3
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 3.7620574D-01 conv= 1.00D-05.
RLE energy= -0.4154306028
DE(Corr)= -0.41728635 E(CORR)= -438.18323162 Delta=-2.35D-03
NORM(A)= 0.10740804D+01
Iteration Nr. 4
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 1.5519329D-01 conv= 1.00D-05.
RLE energy= -0.4268042391
DE(Corr)= -0.42290851 E(CORR)= -438.18885378 Delta=-5.62D-03
NORM(A)= 0.10811571D+01
Iteration Nr. 5
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 1.0796320D-02 conv= 1.00D-05.
RLE energy= -0.4270030102
DE(Corr)= -0.42691447 E(CORR)= -438.19285974 Delta=-4.01D-03
NORM(A)= 0.10814017D+01
Iteration Nr. 6
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 2.8377818D-03 conv= 1.00D-05.
RLE energy= -0.4269888942
DE(Corr)= -0.42698776 E(CORR)= -438.19293303 Delta=-7.33D-05
NORM(A)= 0.10814169D+01
Iteration Nr. 7
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 8.2046181D-04 conv= 1.00D-05.
RLE energy= -0.4269839734
DE(Corr)= -0.42698448 E(CORR)= -438.19292974 Delta= 3.28D-06
NORM(A)= 0.10814199D+01
Iteration Nr. 8
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 3.1569351D-04 conv= 1.00D-05.
RLE energy= -0.4269849537
DE(Corr)= -0.42698629 E(CORR)= -438.19293156 Delta=-1.82D-06
NORM(A)= 0.10814194D+01
Iteration Nr. 9
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 1.0189592D-04 conv= 1.00D-05.
RLE energy= -0.4269842983
DE(Corr)= -0.42698450 E(CORR)= -438.19292977 Delta= 1.79D-06
NORM(A)= 0.10814193D+01
Iteration Nr. 10
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 3.6600327D-05 conv= 1.00D-05.
RLE energy= -0.4269846042
DE(Corr)= -0.42698467 E(CORR)= -438.19292994 Delta=-1.68D-07
NORM(A)= 0.10814194D+01
Iteration Nr. 11
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 1.4332937D-05 conv= 1.00D-05.
RLE energy= -0.4269847221
DE(Corr)= -0.42698468 E(CORR)= -438.19292995 Delta=-8.00D-09
NORM(A)= 0.10814196D+01
Iteration Nr. 12
**********************
DD1Dir will call FoFMem 1 times, MxPair= 140
NAB= 49 NAA= 21 NBB= 21.
Norm of the A-vectors is 5.7443704D-06 conv= 1.00D-05.
RLE energy= -0.4269847694
DE(Corr)= -0.42698475 E(CORR)= -438.19293002 Delta=-7.65D-08
NORM(A)= 0.10814197D+01
CI/CC converged in 12 iterations to DelEn=-7.65D-08 Conv= 1.00D-07 ErrA1= 5.74D-06 Conv= 1.00D-05
Largest amplitude= 3.01D-02
Time for triples= 347908.83 seconds.
T4(CCSD)= -0.18864857D-01
T5(CCSD)= 0.36528737D-03
CCSD(T)= -0.43821142959D+03
Discarding MO integrals.
Leave Link 913 at Tue Apr 2 22:30:40 2019, MaxMem= 13421772800 cpu: 390322.3
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe)
Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1.
**********************************************************************
Population analysis using the SCF density.
**********************************************************************
Orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A") (A') (A') (A') (A")
(A') (A') (A")
Virtual (A') (A') (A') (A") (A') (A') (A') (A") (A') (A")
(A') (A') (A') (A") (A') (A") (A') (A') (A") (A')
(A') (A") (A') (A") (A') (A') (A") (A') (A") (A')
(A') (A") (A') (A') (A") (A') (A') (A") (A') (A')
(A') (A") (A") (A') (A") (A') (A') (A") (A') (A')
(A') (A") (A') (A') (A") (A") (A') (A') (A") (A")
(A') (A") (A') (A') (A') (A") (A') (A") (A') (A")
(A') (A") (A") (A') (A') (A') (A") (A') (A") (A')
(A') (A") (A') (A') (A") (A') (A') (A") (A") (A')
(A') (A") (A') (A') (A") (A') (A') (A") (A") (A')
(A") (A') (A") (A') (A') (A") (A') (A') (A') (A")
(A') (A") (A') (A") (A') (A') (A") (A') (A") (A')
(A") (A') (A') (A') (A") (A') (A") (A') (A") (A')
(A") (A') (A') (A") (A') (A") (A') (A') (A") (A")
(A') (A') (A") (A") (A') (A") (A') (A') (A") (A')
(A") (A') (A') (A") (A') (A') (A") (A') (A") (A')
(A") (A') (A") (A') (A") (A") (A') (A') (A") (A')
(A") (A') (A') (A") (A') (A") (A") (A') (A") (A')
(A') (A') (A") (A') (A") (A') (A") (A') (A') (A")
(A') (A") (A') (A') (A') (A") (A') (A") (A') (A")
(A") (A') (A') (A") (A') (A') (A") (A') (A') (A")
(A") (A') (A') (A") (A') (A') (A") (A') (A") (A')
(A") (A") (A') (A') (A') (A') (A") (A') (A") (A")
(A') (A') (A") (A') (A') (A") (A") (A') (A') (A")
(A') (A") (A') (A') (A") (A') (A') (A") (A') (A')
(A") (A') (A") (A") (A') (A") (A') (A') (A") (A')
(A') (A") (A') (A') (A") (A') (A') (A") (A") (A')
(A") (A') (A') (A") (A') (A') (A') (A") (A') (A")
(A') (A") (A') (A") (A') (A") (A') (A") (A") (A')
(A") (A') (A") (A") (A') (A") (A') (A') (A") (A')
(A') (A") (A') (A") (A') (A") (A") (A') (A") (A')
(A') (A') (A") (A') (A') (A") (A') (A") (A') (A')
(A") (A") (A') (A') (A") (A") (A') (A") (A") (A')
(A') (A') (A") (A') (A") (A') (A') (A") (A') (A")
(A') (A") (A') (A') (A") (A') (A") (A') (A") (A')
(A") (A') (A') (A") (A') (A') (A") (A') (A') (A")
(A') (A') (A") (A") (A') (A') (A") (A") (A") (A')
(A") (A') (A') (A") (A') (A') (A") (A') (A") (A')
(A") (A') (A") (A') (A') (A') (A') (A") (A") (A')
(A') (A') (A')
The electronic state is 1-A'.
Alpha occ. eigenvalues -- -91.95203 -11.25865 -8.95341 -6.63493 -6.63411
Alpha occ. eigenvalues -- -6.63337 -1.03315 -0.86610 -0.60633 -0.59127
Alpha occ. eigenvalues -- -0.52685 -0.45887 -0.35753
Alpha virt. eigenvalues -- 0.08679 0.10975 0.13694 0.13702 0.17007
Alpha virt. eigenvalues -- 0.20007 0.21330 0.22014 0.24074 0.27634
Alpha virt. eigenvalues -- 0.30343 0.35386 0.37612 0.39463 0.40447
Alpha virt. eigenvalues -- 0.41604 0.43009 0.43127 0.45622 0.50774
Alpha virt. eigenvalues -- 0.57480 0.59561 0.60400 0.62885 0.63882
Alpha virt. eigenvalues -- 0.66111 0.68317 0.70318 0.73571 0.74015
Alpha virt. eigenvalues -- 0.76086 0.77154 0.80542 0.88855 0.88996
Alpha virt. eigenvalues -- 0.91406 0.95094 0.95271 0.98443 1.01408
Alpha virt. eigenvalues -- 1.02465 1.03002 1.05601 1.06040 1.08058
Alpha virt. eigenvalues -- 1.10806 1.14975 1.15501 1.18125 1.22727
Alpha virt. eigenvalues -- 1.24122 1.24523 1.30998 1.33235 1.34021
Alpha virt. eigenvalues -- 1.36557 1.37589 1.42143 1.46190 1.51698
Alpha virt. eigenvalues -- 1.52169 1.56580 1.57323 1.59309 1.63141
Alpha virt. eigenvalues -- 1.64855 1.68902 1.69871 1.76113 1.76243
Alpha virt. eigenvalues -- 1.81887 1.84798 1.87694 1.88454 1.90499
Alpha virt. eigenvalues -- 1.92505 1.93534 1.98399 1.98713 2.01411
Alpha virt. eigenvalues -- 2.11145 2.11227 2.11623 2.14380 2.14771
Alpha virt. eigenvalues -- 2.21381 2.23879 2.26203 2.28256 2.31396
Alpha virt. eigenvalues -- 2.33777 2.36147 2.37080 2.40098 2.40872
Alpha virt. eigenvalues -- 2.47094 2.47463 2.49675 2.52305 2.53301
Alpha virt. eigenvalues -- 2.53534 2.57163 2.59723 2.63441 2.67885
Alpha virt. eigenvalues -- 2.74864 2.76619 2.77813 2.81811 2.83053
Alpha virt. eigenvalues -- 2.84770 2.85689 2.88457 2.94932 2.96838
Alpha virt. eigenvalues -- 2.98638 3.04672 3.07834 3.14362 3.21675
Alpha virt. eigenvalues -- 3.26846 3.29381 3.35056 3.39931 3.50469
Alpha virt. eigenvalues -- 3.55045 3.59398 3.69784 3.73683 3.74467
Alpha virt. eigenvalues -- 3.76610 3.76671 3.80025 3.83472 3.85392
Alpha virt. eigenvalues -- 3.87259 3.94926 3.96789 3.97295 3.98454
Alpha virt. eigenvalues -- 4.07164 4.11896 4.13834 4.14578 4.17065
Alpha virt. eigenvalues -- 4.17275 4.17508 4.25981 4.32182 4.34595
Alpha virt. eigenvalues -- 4.37258 4.42453 4.47147 4.49571 4.51819
Alpha virt. eigenvalues -- 4.61677 4.65457 4.66777 4.71278 4.71304
Alpha virt. eigenvalues -- 4.74671 4.75649 4.78530 4.79986 4.80672
Alpha virt. eigenvalues -- 4.85574 4.88373 4.90125 4.94940 4.97176
Alpha virt. eigenvalues -- 4.99813 5.03668 5.07973 5.10326 5.11436
Alpha virt. eigenvalues -- 5.13774 5.17545 5.18685 5.21713 5.22278
Alpha virt. eigenvalues -- 5.26670 5.28668 5.29140 5.35043 5.36005
Alpha virt. eigenvalues -- 5.43152 5.44849 5.46237 5.49195 5.52406
Alpha virt. eigenvalues -- 5.52426 5.56225 5.57106 5.61937 5.64667
Alpha virt. eigenvalues -- 5.69680 5.72764 5.74289 5.75799 5.77972
Alpha virt. eigenvalues -- 5.82834 5.83547 5.85972 5.90810 5.95537
Alpha virt. eigenvalues -- 5.98566 6.05414 6.06128 6.09067 6.10199
Alpha virt. eigenvalues -- 6.13924 6.14180 6.18598 6.20232 6.22171
Alpha virt. eigenvalues -- 6.29578 6.37768 6.38151 6.42290 6.42343
Alpha virt. eigenvalues -- 6.49309 6.57781 6.58942 6.63542 6.75594
Alpha virt. eigenvalues -- 6.83633 6.85457 6.88738 6.99515 7.06431
Alpha virt. eigenvalues -- 7.09926 7.15980 7.19308 7.20601 7.46817
Alpha virt. eigenvalues -- 7.47983 7.59188 7.63280 7.64785 7.65112
Alpha virt. eigenvalues -- 7.66316 7.68213 7.82551 8.15022 8.17421
Alpha virt. eigenvalues -- 8.18222 9.01536 9.10695 9.10968 9.23689
Alpha virt. eigenvalues -- 9.30038 9.41318 9.52730 9.54559 9.59982
Alpha virt. eigenvalues -- 9.60834 9.69355 9.75157 9.86139 9.88702
Alpha virt. eigenvalues -- 9.99034 10.03342 10.06072 10.18494 10.35247
Alpha virt. eigenvalues -- 10.38417 10.41506 10.46430 10.49558 10.51881
Alpha virt. eigenvalues -- 10.77305 10.79157 10.93055 11.06925 11.12277
Alpha virt. eigenvalues -- 11.17531 11.49330 11.49985 11.54563 11.57304
Alpha virt. eigenvalues -- 11.60372 11.80398 11.87976 12.56911 12.57632
Alpha virt. eigenvalues -- 12.61406 12.62927 12.65285 12.67813 12.67989
Alpha virt. eigenvalues -- 12.72878 12.73546 12.74827 12.75445 12.76334
Alpha virt. eigenvalues -- 12.77778 12.80132 12.81806 12.89839 12.91241
Alpha virt. eigenvalues -- 12.93428 12.93653 12.95494 12.96737 12.99348
Alpha virt. eigenvalues -- 13.00170 13.05757 13.09812 13.12101 13.14460
Alpha virt. eigenvalues -- 13.19906 13.31042 13.35541 13.36683 13.42170
Alpha virt. eigenvalues -- 13.43473 13.45302 13.55963 13.56094 13.59440
Alpha virt. eigenvalues -- 13.67460 13.74052 13.77028 13.87091 13.91542
Alpha virt. eigenvalues -- 13.92793 13.94327 13.99955 14.05747 14.05778
Alpha virt. eigenvalues -- 14.09450 14.11759 14.11861 14.15275 14.20926
Alpha virt. eigenvalues -- 14.24395 14.29989 14.30981 14.33061 14.34939
Alpha virt. eigenvalues -- 14.40657 14.41680 14.46011 14.50446 14.57443
Alpha virt. eigenvalues -- 14.58469 14.72598 14.76121 14.85267 14.87820
Alpha virt. eigenvalues -- 14.87986 14.91157 15.05020 15.14512 15.28211
Alpha virt. eigenvalues -- 15.46767 15.47266 15.66803 15.80867 15.84733
Alpha virt. eigenvalues -- 15.86862 16.04604 16.04900 16.36061 16.50154
Alpha virt. eigenvalues -- 16.87895 16.88313 17.27136 17.44983 17.47640
Alpha virt. eigenvalues -- 17.55315 17.60223 17.80019 17.93548 17.97244
Alpha virt. eigenvalues -- 18.23026 18.31713 18.35744 18.42972 18.49408
Alpha virt. eigenvalues -- 18.61724 18.77467 18.91318 18.95409 19.08546
Alpha virt. eigenvalues -- 20.77519 20.84104 20.87597 25.02295 26.88805
Alpha virt. eigenvalues -- 27.83560 42.19852 69.42200
Molecular Orbital Coefficients:
1 2 3 4 5
O O O O O
Eigenvalues -- -91.95203 -11.25865 -8.95341 -6.63493 -6.63411
1 1 C 1S 0.00000 0.56559 0.00006 -0.00006 0.00008
2 2S 0.00000 -0.42008 -0.00010 0.00005 -0.00009
3 3S 0.00002 0.07906 -0.00010 -0.00012 0.00002
4 4S -0.00012 0.00280 0.00018 0.00039 -0.00016
5 5S 0.00010 0.00196 0.00049 -0.00011 0.00139
6 6S 0.00003 0.00053 0.00014 -0.00019 0.00062
7 7PX 0.00000 -0.00001 0.00000 -0.00001 0.00000
8 7PY 0.00000 -0.00065 0.00005 -0.00003 0.00005
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 0.00007 -0.00001
11 8PY 0.00002 0.00043 -0.00003 -0.00008 -0.00004
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 0.00001 -0.00003 -0.00016 -0.00032 -0.00041
14 9PY -0.00007 -0.00060 0.00045 0.00014 0.00069
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX -0.00002 0.00000 0.00006 -0.00005 0.00004
17 10PY -0.00026 -0.00045 0.00036 0.00218 -0.00042
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00001 -0.00001 -0.00014 -0.00010
20 11PY -0.00002 -0.00005 0.00002 0.00001 -0.00008
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
22 12D 0 0.00000 -0.00005 0.00001 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
25 12D+2 0.00000 -0.00007 0.00001 0.00000 0.00000
26 12D-2 0.00000 -0.00001 0.00000 0.00001 -0.00001
27 13D 0 0.00000 0.00013 -0.00002 -0.00004 0.00000
28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
30 13D+2 0.00000 0.00021 -0.00002 -0.00002 0.00001
31 13D-2 0.00000 0.00003 0.00000 -0.00006 0.00003
32 14D 0 -0.00003 -0.00006 0.00011 0.00024 0.00034
33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
35 14D+2 -0.00005 -0.00009 0.00017 0.00006 0.00052
36 14D-2 0.00001 -0.00002 -0.00009 0.00039 -0.00020
37 15D 0 -0.00006 -0.00004 0.00019 0.00059 0.00020
38 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
39 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
40 15D+2 -0.00005 -0.00010 0.00009 0.00026 -0.00003
41 15D-2 0.00002 -0.00003 -0.00018 0.00023 -0.00035
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16 17 18 19 20
V V V V V
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390 13F-3 0.00038 -0.00073 -0.00007 0.00026 0.00073
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396 14F+3 -0.01174 0.00833 0.00017 0.00373 -0.00928
397 14F-3 0.00300 0.00789 -0.00216 0.00142 -0.00438
398 15G 0 0.00116 -0.00008 -0.00024 0.00003 0.00076
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400 15G-1 0.00057 -0.00055 -0.00038 0.00028 0.00017
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404 15G-3 0.00070 0.00072 -0.00034 0.00016 -0.00035
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406 15G-4 0.00021 -0.00033 0.00007 -0.00005 0.00033
26 27 28 29 30
V V V V V
Eigenvalues -- 0.37612 0.39463 0.40447 0.41604 0.43009
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406 15G-4 -0.00030 -0.00095 0.00008 0.00006 0.00004
31 32 33 34 35
V V V V V
Eigenvalues -- 0.43127 0.45622 0.50774 0.57480 0.59561
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406 15G-4 -0.00011 0.00110 0.00010 -0.00008 -0.00064
36 37 38 39 40
V V V V V
Eigenvalues -- 0.60400 0.62885 0.63882 0.66111 0.68317
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41 42 43 44 45
V V V V V
Eigenvalues -- 0.70318 0.73571 0.74015 0.76086 0.77154
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404 15G-3 0.00281 0.00170 0.00188 -0.00311 0.00087
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406 15G-4 -0.00135 -0.00098 -0.00012 0.00083 -0.00036
51 52 53 54 55
V V V V V
Eigenvalues -- 0.95271 0.98443 1.01408 1.02465 1.03002
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326 12D-1 0.62471 -0.28669 -0.26076 0.28357 -0.03726
327 12D+2 -0.70619 -0.20290 0.14021 -0.03457 -0.30624
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335 13F-3 -0.00147 0.00037 0.00044 -0.00027 -0.00015
336 14F 0 -0.03135 -0.14222 0.12003 0.01878 0.00125
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340 14F-2 -0.03973 0.06517 0.00803 -0.02769 0.03255
341 14F+3 0.07226 -0.01089 -0.01548 0.01475 0.01730
342 14F-3 0.02748 0.03326 -0.00877 -0.00833 0.01837
343 15G 0 0.00071 0.00728 -0.00460 -0.00166 0.00071
344 15G+1 0.00013 0.00242 -0.00539 0.00052 -0.00187
345 15G-1 0.00287 0.00225 -0.00431 0.00072 -0.00135
346 15G+2 -0.00795 -0.00128 0.00042 -0.00042 -0.00233
347 15G-2 0.00219 -0.00381 -0.00283 0.00199 -0.00247
348 15G+3 -0.00683 0.00133 0.00163 -0.00129 -0.00063
349 15G-3 -0.00244 -0.00347 0.00040 0.00074 -0.00258
350 15G+4 -0.00195 0.00140 0.00019 -0.00085 0.00025
351 15G-4 -0.00248 -0.00056 0.00036 0.00017 -0.00096
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353 2S 0.05356 0.11715 0.22225 -0.11001 -0.13545
354 3S -0.73712 -1.96823 -2.75994 2.22374 0.96587
355 4S 0.39705 -3.25429 -12.06890 5.23212 2.60920
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362 7PZ 0.01775 -0.00664 0.04912 -0.00356 -0.03413
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378 11D-2 0.00988 -0.03389 -0.00809 0.02529 0.02130
379 12D 0 -0.23583 0.67481 -0.94781 0.02854 0.19662
380 12D+1 -0.37816 0.48656 0.05350 -0.18005 -0.36857
381 12D-1 0.62471 0.28669 0.26076 -0.28357 -0.03726
382 12D+2 0.70619 -0.20290 0.14021 -0.03457 0.30624
383 12D-2 -0.19786 -0.32032 -0.04062 0.12874 0.04259
384 13F 0 0.00126 -0.00812 0.00479 0.00213 0.00145
385 13F+1 -0.00062 0.00199 0.00481 -0.00219 -0.00062
386 13F-1 -0.00122 -0.00001 0.00285 -0.00099 0.00107
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388 13F-2 0.00241 -0.00199 -0.00299 0.00183 -0.00109
389 13F+3 0.00406 -0.00003 0.00128 -0.00084 0.00178
390 13F-3 0.00147 0.00037 0.00044 -0.00027 0.00015
391 14F 0 -0.03135 0.14222 -0.12003 -0.01878 0.00125
392 14F+1 -0.02135 0.01505 0.03869 -0.01867 -0.04034
393 14F-1 0.08021 0.01194 0.05830 -0.02902 -0.02710
394 14F+2 0.13942 -0.03333 0.02285 -0.00884 0.04079
395 14F-2 -0.03973 -0.06517 -0.00803 0.02769 0.03255
396 14F+3 -0.07226 -0.01089 -0.01548 0.01475 -0.01730
397 14F-3 -0.02748 0.03326 -0.00877 -0.00833 -0.01837
398 15G 0 -0.00071 0.00728 -0.00460 -0.00166 -0.00071
399 15G+1 0.00013 -0.00242 0.00539 -0.00052 -0.00187
400 15G-1 0.00287 -0.00225 0.00431 -0.00072 -0.00135
401 15G+2 0.00795 -0.00128 0.00042 -0.00042 0.00233
402 15G-2 -0.00219 -0.00381 -0.00283 0.00199 0.00247
403 15G+3 -0.00683 -0.00133 -0.00163 0.00129 -0.00063
404 15G-3 -0.00244 0.00347 -0.00040 -0.00074 -0.00258
405 15G+4 0.00195 0.00140 0.00019 -0.00085 -0.00025
406 15G-4 0.00248 -0.00056 0.00036 0.00017 0.00096
56 57 58 59 60
V V V V V
Eigenvalues -- 1.05601 1.06040 1.08058 1.10806 1.14975
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4 4S 0.00000 -1.33557 0.00000 -0.76391 -0.36953
5 5S 0.00000 20.10359 0.00000 9.91296 -1.20904
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14 9PY 0.00000 1.67426 0.00000 0.41458 0.45081
15 9PZ 1.44271 0.00000 -0.36945 0.00000 0.00000
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17 10PY 0.00000 -0.20900 0.00000 -2.68867 -0.38751
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21 11PZ -0.02544 0.00000 -1.31948 0.00000 0.00000
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26 12D-2 0.00000 -0.00540 0.00000 0.00696 0.00153
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31 13D-2 0.00000 0.07094 0.00000 -0.02895 -0.00790
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33 14D+1 1.49849 0.00000 -0.34155 0.00000 0.00000
34 14D-1 0.75762 0.00000 0.25147 0.00000 0.00000
35 14D+2 0.00000 1.12010 0.00000 0.72802 -0.45421
36 14D-2 0.00000 0.02392 0.00000 -0.33626 -0.51408
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46 16F-2 -0.01444 0.00000 -0.00372 0.00000 0.00000
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48 16F-3 0.00000 -0.01051 0.00000 -0.00555 -0.00824
49 17F 0 0.09564 0.00000 0.02342 0.00000 0.00000
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51 17F-1 0.00000 0.11530 0.00000 -0.03391 0.02154
52 17F+2 0.08077 0.00000 0.09236 0.00000 0.00000
53 17F-2 0.12472 0.00000 -0.06111 0.00000 0.00000
54 17F+3 0.00000 -0.21916 0.00000 -0.01005 -0.01049
55 17F-3 0.00000 0.12567 0.00000 0.14172 0.06138
56 18F 0 0.45584 0.00000 0.00463 0.00000 0.00000
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59 18F+2 0.43344 0.00000 0.19102 0.00000 0.00000
60 18F-2 0.55928 0.00000 -0.42115 0.00000 0.00000
61 18F+3 0.00000 -0.65883 0.00000 -0.39507 0.21656
62 18F-3 0.00000 0.51931 0.00000 0.41218 -0.02756
63 19G 0 0.00000 -0.00823 0.00000 0.00577 -0.00158
64 19G+1 -0.00263 0.00000 -0.00997 0.00000 0.00000
65 19G-1 -0.00527 0.00000 -0.00803 0.00000 0.00000
66 19G+2 0.00000 0.00069 0.00000 -0.01217 -0.00627
67 19G-2 0.00000 0.01722 0.00000 -0.00010 0.00242
68 19G+3 0.00179 0.00000 0.00009 0.00000 0.00000
69 19G-3 -0.00177 0.00000 -0.00974 0.00000 0.00000
70 19G+4 0.00000 -0.00556 0.00000 0.00604 -0.00347
71 19G-4 0.00000 0.00428 0.00000 -0.01713 -0.00197
72 20G 0 0.00000 0.09448 0.00000 -0.03580 0.06753
73 20G+1 0.21377 0.00000 0.21162 0.00000 0.00000
74 20G-1 0.16176 0.00000 0.07287 0.00000 0.00000
75 20G+2 0.00000 -0.12418 0.00000 0.15263 -0.04115
76 20G-2 0.00000 0.02662 0.00000 0.07572 0.04913
77 20G+3 0.00908 0.00000 -0.01534 0.00000 0.00000
78 20G-3 0.09983 0.00000 0.11324 0.00000 0.00000
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80 20G-4 0.00000 -0.13620 0.00000 0.05702 -0.07153
81 21H 0 -0.01156 0.00000 0.00524 0.00000 0.00000
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84 21H+2 0.01767 0.00000 0.00148 0.00000 0.00000
85 21H-2 0.02862 0.00000 0.02218 0.00000 0.00000
86 21H+3 0.00000 0.00650 0.00000 0.00724 -0.01027
87 21H-3 0.00000 -0.01279 0.00000 0.01337 -0.01136
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89 21H-4 0.00676 0.00000 -0.00655 0.00000 0.00000
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91 21H-5 0.00000 0.01197 0.00000 0.00312 0.00177
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93 2S 0.00000 0.00890 0.00000 -0.00327 -0.00787
94 3S 0.00000 -0.09862 0.00000 -0.00936 0.02356
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96 5S 0.00000 1.87032 0.00000 -0.47605 -0.07774
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115 13PY 0.00000 -1.23831 0.00000 0.21270 0.55806
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123 15D+1 -0.18118 0.00000 0.39906 0.00000 0.00000
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125 15D+2 0.00000 -0.39872 0.00000 -0.00034 0.07943
126 15D-2 0.00000 -0.10236 0.00000 0.10704 -0.11808
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128 16D+1 -0.02958 0.00000 0.01372 0.00000 0.00000
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131 16D-2 0.00000 0.00784 0.00000 -0.03040 -0.00498
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133 17D+1 -0.02881 0.00000 0.04860 0.00000 0.00000
134 17D-1 0.02714 0.00000 -0.00447 0.00000 0.00000
135 17D+2 0.00000 -0.00427 0.00000 -0.01628 -0.00429
136 17D-2 0.00000 -0.00978 0.00000 -0.00820 -0.01056
137 18F 0 0.03667 0.00000 -0.51753 0.00000 0.00000
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147 19F+2 0.28911 0.00000 -0.13795 0.00000 0.00000
148 19F-2 0.17643 0.00000 -0.13812 0.00000 0.00000
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150 19F-3 0.00000 0.15853 0.00000 0.13400 0.05561
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157 20F-3 0.00000 -0.02281 0.00000 -0.03641 -0.02576
158 21G 0 0.00000 -0.07781 0.00000 0.03962 0.00162
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163 21G+3 -0.01101 0.00000 0.07168 0.00000 0.00000
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166 21G-4 0.00000 -0.00706 0.00000 0.27381 -0.13283
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300 4S -9.54781 -5.70007 -5.73263 -2.88510 5.07459
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335 13F-3 0.00003 0.00048 0.00158 0.00114 0.00060
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342 14F-3 -0.00140 0.01199 -0.00998 -0.02093 0.00769
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347 15G-2 0.00074 -0.00435 0.00096 -0.00110 0.00126
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349 15G-3 0.00152 -0.00216 0.00065 0.00149 -0.00100
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351 15G-4 0.00079 -0.00002 0.00084 0.00058 -0.00045
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353 2S -0.04537 0.22524 0.08434 0.01005 0.00196
354 3S 3.35595 -1.33932 0.19179 -0.76844 -1.38178
355 4S 9.54781 -5.70007 5.73263 -2.88510 5.07459
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381 12D-1 -0.20623 0.31666 -0.00115 0.30665 -0.20162
382 12D+2 -0.10054 -0.04787 0.04254 0.37188 -0.08244
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390 13F-3 -0.00003 0.00048 -0.00158 0.00114 0.00060
391 14F 0 -0.03467 -0.03109 -0.04736 -0.01054 0.03527
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394 14F+2 -0.03685 -0.01602 -0.00363 0.06507 -0.04538
395 14F-2 0.00066 -0.05310 -0.00911 -0.00320 0.01318
396 14F+3 0.00698 -0.00391 -0.00466 -0.01528 0.01122
397 14F-3 0.00140 0.01199 0.00998 -0.02093 0.00769
398 15G 0 -0.00139 0.00137 -0.00074 -0.00062 0.00137
399 15G+1 0.00282 0.00536 0.00384 -0.00003 0.00018
400 15G-1 0.00067 0.00418 0.00243 0.00073 -0.00230
401 15G+2 -0.00276 -0.00134 -0.00054 0.00312 -0.00228
402 15G-2 -0.00074 -0.00435 -0.00096 -0.00110 0.00126
403 15G+3 0.00082 -0.00019 0.00007 -0.00211 0.00093
404 15G-3 0.00152 0.00216 0.00065 -0.00149 0.00100
405 15G+4 0.00093 0.00027 0.00087 0.00023 0.00076
406 15G-4 -0.00079 -0.00002 -0.00084 0.00058 -0.00045
61 62 63 64 65
V V V V V
Eigenvalues -- 1.15501 1.18125 1.22727 1.24122 1.24523
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60 18F-2 -0.20188 0.00000 0.00000 0.00000 -0.87411
61 18F+3 0.00000 -0.29730 0.77269 0.01286 0.00000
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65 19G-1 0.00118 0.00000 0.00000 0.00000 -0.01897
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69 19G-3 0.00329 0.00000 0.00000 0.00000 -0.01363
70 19G+4 0.00000 0.00792 -0.00622 0.00201 0.00000
71 19G-4 0.00000 -0.00936 0.01188 0.00936 0.00000
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74 20G-1 0.11410 0.00000 0.00000 0.00000 -0.12810
75 20G+2 0.00000 -0.10216 0.15657 -0.00050 0.00000
76 20G-2 0.00000 -0.05731 0.05513 0.08780 0.00000
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78 20G-3 0.01036 0.00000 0.00000 0.00000 -0.08912
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395 14F-2 0.06166 0.02472 -0.00365 0.01141 -0.05459
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398 15G 0 -0.00314 -0.00084 -0.00050 -0.00329 0.00101
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400 15G-1 -0.00016 -0.00225 0.00143 0.00315 0.00223
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402 15G-2 0.00372 0.00221 -0.00065 -0.00132 -0.00449
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406 15G-4 0.00049 0.00011 0.00028 -0.00054 -0.00071
66 67 68 69 70
V V V V V
Eigenvalues -- 1.30998 1.33235 1.34021 1.36557 1.37589
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2 2S -0.00941 -0.04135 0.00000 0.00000 0.05448
3 3S -0.20616 0.21626 0.00000 0.00000 0.17024
4 4S 1.83943 -2.04069 0.00000 0.00000 -2.90485
5 5S -3.60631 2.58507 0.00000 0.00000 13.75560
6 6S -4.24008 8.00704 0.00000 0.00000 1.26966
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8 7PY 0.00041 0.03486 0.00000 0.00000 -0.05941
9 7PZ 0.00000 0.00000 -0.02342 -0.00758 0.00000
10 8PX -0.57766 -0.32676 0.00000 0.00000 -0.20415
11 8PY -0.10337 0.18395 0.00000 0.00000 -0.16645
12 8PZ 0.00000 0.00000 0.62029 -0.12211 0.00000
13 9PX 6.23903 3.27959 0.00000 0.00000 1.54894
14 9PY 0.73089 0.12656 0.00000 0.00000 -0.67759
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V V V V V
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406 15G-4 -0.00022 0.00387 0.00528 -0.00114 -0.00089
76 77 78 79 80
V V V V V
Eigenvalues -- 1.57323 1.59309 1.63141 1.64855 1.68902
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351 15G-4 0.00098 0.00021 0.00002 -0.00098 -0.00104
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353 2S -0.07575 0.00912 0.08174 0.15659 0.09495
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355 4S -0.20250 -7.19463 -1.02757 -1.02064 2.65102
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382 12D+2 0.22591 0.02267 -0.50870 0.25765 -0.00935
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390 13F-3 0.00160 -0.00011 -0.00415 -0.00198 0.00146
391 14F 0 -0.06772 -0.01797 -0.00822 -0.11135 0.11225
392 14F+1 -0.04261 0.03037 0.08286 -0.00945 0.00591
393 14F-1 -0.03890 -0.00122 -0.04600 0.04238 -0.04679
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395 14F-2 0.07973 0.03275 0.02126 0.06003 -0.04225
396 14F+3 0.02867 -0.00030 0.07331 -0.03597 -0.01838
397 14F-3 -0.04747 -0.01539 0.03800 -0.01325 0.03386
398 15G 0 -0.00392 -0.00157 0.00026 -0.00409 0.00352
399 15G+1 0.00133 0.00055 0.00446 0.00220 -0.00404
400 15G-1 0.00083 0.00310 -0.00326 0.00428 -0.00421
401 15G+2 0.00231 -0.00006 -0.00872 0.00544 -0.00090
402 15G-2 0.00342 -0.00139 -0.00191 0.00334 -0.00117
403 15G+3 0.00048 0.00041 0.00450 -0.00119 -0.00127
404 15G-3 -0.00428 -0.00077 0.00131 -0.00493 0.00427
405 15G+4 -0.00088 -0.00114 -0.00217 -0.00051 0.00219
406 15G-4 0.00098 0.00021 0.00002 0.00098 -0.00104
81 82 83 84 85
V V V V V
Eigenvalues -- 1.69871 1.76113 1.76243 1.81887 1.84798
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2 2S 0.00000 -0.03990 0.00000 0.03582 0.00000
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11 8PY 0.00000 -0.03501 0.00000 -0.22789 0.00000
12 8PZ 0.06289 0.00000 0.00201 0.00000 -0.34286
13 9PX 0.00000 -2.47500 0.00000 1.21112 0.00000
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15 9PZ -0.92571 0.00000 0.95155 0.00000 4.57873
16 10PX 0.00000 1.03931 0.00000 10.35255 0.00000
17 10PY 0.00000 1.52706 0.00000 1.50850 0.00000
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V V V V V
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277 13F+2 0.00424 0.00000 0.00000 0.00000 0.00795
278 13F-2 0.00540 0.00000 0.00000 0.00000 0.00242
279 13F+3 0.00000 0.00262 -0.00423 -0.00355 0.00000
280 13F-3 0.00000 -0.00355 -0.01311 0.00026 0.00000
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285 14F-2 -0.06958 0.00000 0.00000 0.00000 -0.00969
286 14F+3 0.00000 -0.03535 0.38807 -0.02043 0.00000
287 14F-3 0.00000 0.04009 0.16809 0.08220 0.00000
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296 15G-4 0.00000 -0.00089 0.00420 0.00763 0.00000
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298 2S -0.04447 -0.03448 0.17950 0.13757 -0.32998
299 3S 0.42677 0.00950 -2.68283 -1.06747 5.56201
300 4S -1.24462 0.61227 -8.20927 -5.27942 7.86491
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332 13F+2 -0.00224 0.00296 0.00733 -0.00477 -0.00238
333 13F-2 0.00238 0.00033 -0.00178 -0.00046 -0.00133
334 13F+3 -0.00288 0.00430 -0.00068 -0.00286 -0.00261
335 13F-3 0.00447 0.00185 0.00178 -0.00458 -0.00186
336 14F 0 -0.02971 -0.08995 -0.07485 0.13082 -0.02774
337 14F+1 -0.04107 -0.09038 0.00622 0.12877 -0.09573
338 14F-1 -0.02814 0.00721 0.05380 0.00312 -0.06173
339 14F+2 0.02221 -0.03745 -0.09122 0.13261 0.02079
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342 14F-3 -0.01792 0.03497 0.00033 0.03864 -0.00688
343 15G 0 -0.00021 0.00126 0.00547 -0.00501 0.00007
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346 15G+2 0.00224 0.00343 0.00341 -0.00908 0.00138
347 15G-2 0.00040 -0.00181 -0.00362 -0.00075 0.00453
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351 15G-4 -0.00186 0.00011 0.00020 -0.00183 -0.00164
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353 2S 0.04447 -0.03448 0.17950 0.13757 0.32998
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355 4S 1.24462 0.61227 -8.20927 -5.27942 -7.86491
356 5S -0.58102 0.37503 0.63296 0.03538 0.42026
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378 11D-2 -0.02948 0.02668 -0.06395 0.03571 0.06027
379 12D 0 -0.27655 0.31689 0.02007 -0.95601 -0.77947
380 12D+1 0.19115 -0.43744 0.53358 0.76099 0.76324
381 12D-1 0.09661 0.13688 0.66538 -0.62922 0.38998
382 12D+2 0.49060 0.01713 0.45894 -0.66413 0.48571
383 12D-2 -0.11669 -0.61109 -0.32798 0.05556 -0.92133
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386 13F-1 -0.00485 -0.00299 0.00526 -0.00151 0.00189
387 13F+2 -0.00224 -0.00296 -0.00733 0.00477 -0.00238
388 13F-2 0.00238 -0.00033 0.00178 0.00046 -0.00133
389 13F+3 0.00288 0.00430 -0.00068 -0.00286 0.00261
390 13F-3 -0.00447 0.00185 0.00178 -0.00458 0.00186
391 14F 0 -0.02971 0.08995 0.07485 -0.13082 -0.02774
392 14F+1 0.04107 -0.09038 0.00622 0.12877 0.09573
393 14F-1 0.02814 0.00721 0.05380 0.00312 0.06173
394 14F+2 0.02221 0.03745 0.09122 -0.13261 0.02079
395 14F-2 -0.03046 -0.07134 -0.09049 0.02032 -0.08376
396 14F+3 -0.04023 -0.06558 -0.03614 0.06417 -0.05613
397 14F-3 0.01792 0.03497 0.00033 0.03864 0.00688
398 15G 0 0.00021 0.00126 0.00547 -0.00501 -0.00007
399 15G+1 0.00557 -0.00887 -0.00375 0.01125 0.00530
400 15G-1 -0.00046 -0.00201 0.00066 0.00197 0.00040
401 15G+2 -0.00224 0.00343 0.00341 -0.00908 -0.00138
402 15G-2 -0.00040 -0.00181 -0.00362 -0.00075 -0.00453
403 15G+3 -0.00212 -0.00586 -0.00404 0.00604 -0.00541
404 15G-3 -0.00171 0.00335 0.00005 0.00341 0.00203
405 15G+4 0.00139 0.00400 0.00046 -0.00087 0.00243
406 15G-4 0.00186 0.00011 0.00020 -0.00183 0.00164
91 92 93 94 95
V V V V V
Eigenvalues -- 1.98399 1.98713 2.01411 2.11145 2.11227
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4 4S 1.41479 0.00000 -4.41311 -4.52240 0.00000
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30 13D+2 0.10281 0.00000 -0.01596 0.05994 0.00000
31 13D-2 0.08582 0.00000 0.04125 0.01259 0.00000
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34 14D-1 0.00000 -2.30728 0.00000 0.00000 0.10390
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36 14D-2 1.75400 0.00000 -0.20588 1.34688 0.00000
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55 17F-3 -0.44385 0.00000 0.34846 0.30723 0.00000
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60 18F-2 0.00000 -1.95328 0.00000 0.00000 0.87575
61 18F+3 2.13305 0.00000 0.21007 -1.13868 0.00000
62 18F-3 -0.62116 0.00000 0.09591 1.39135 0.00000
63 19G 0 -0.01342 0.00000 0.01644 -0.01566 0.00000
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65 19G-1 0.00000 -0.00635 0.00000 0.00000 -0.01341
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69 19G-3 0.00000 -0.00724 0.00000 0.00000 -0.00703
70 19G+4 -0.01678 0.00000 0.00645 -0.00578 0.00000
71 19G-4 0.01338 0.00000 -0.00255 -0.01536 0.00000
72 20G 0 0.07329 0.00000 0.01216 -0.04163 0.00000
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75 20G+2 0.09382 0.00000 0.04544 0.03147 0.00000
76 20G-2 0.04948 0.00000 0.41047 0.49959 0.00000
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78 20G-3 0.00000 -0.22080 0.00000 0.00000 0.06933
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80 20G-4 0.14457 0.00000 -0.16855 -0.01887 0.00000
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85 21H-2 0.00000 -0.03098 0.00000 0.00000 0.04011
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124 15D-1 0.00000 -0.37090 0.00000 0.00000 0.27299
125 15D+2 0.12319 0.00000 -0.17713 0.60209 0.00000
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130 16D+2 -0.01458 0.00000 0.02903 -0.05382 0.00000
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134 17D-1 0.00000 -0.03246 0.00000 0.00000 0.01300
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390 13F-3 -0.00211 0.00179 0.00457 -0.00160 -0.00158
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395 14F-2 -0.11915 -0.10125 -0.12247 -0.05337 -0.02867
396 14F+3 0.03472 -0.08337 -0.05394 0.00646 -0.00214
397 14F-3 0.10267 -0.01697 0.01585 0.04259 0.00348
398 15G 0 0.01008 -0.00124 0.01065 -0.00216 -0.00026
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400 15G-1 -0.00673 0.00921 0.00183 0.00537 0.00740
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402 15G-2 -0.00535 -0.00634 -0.00860 -0.00720 -0.00509
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404 15G-3 0.00938 -0.00219 0.00295 0.00323 0.00024
405 15G+4 0.00200 0.00099 0.00225 0.00192 0.00148
406 15G-4 -0.00408 0.00249 0.00055 -0.00089 0.00081
96 97 98 99 100
V V V V V
Eigenvalues -- 2.11623 2.14380 2.14771 2.21381 2.23879
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2 2S 0.04712 -0.09185 0.00000 0.06393 -0.08705
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4 4S 0.59530 -0.01238 0.00000 0.76904 1.09874
5 5S -10.89672 15.52631 0.00000 -9.91654 9.67206
6 6S -5.38751 8.61930 0.00000 -5.71950 8.83466
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9 7PZ 0.00000 0.00000 0.12977 0.00000 0.00000
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11 8PY -0.05778 -0.09062 0.00000 0.11992 0.11319
12 8PZ 0.00000 0.00000 -0.94666 0.00000 0.00000
13 9PX 4.64376 0.65353 0.00000 9.86090 2.32344
14 9PY 0.14286 1.44318 0.00000 -1.63276 0.06506
15 9PZ 0.00000 0.00000 10.19996 0.00000 0.00000
16 10PX 11.30019 4.24641 0.00000 14.44472 -1.26352
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393 14F-1 -0.00003 0.07671 0.00592 0.02609 0.10747
394 14F+2 0.06186 0.01942 0.14682 0.06652 0.03930
395 14F-2 0.08781 0.07041 0.04398 0.05220 -0.13383
396 14F+3 0.01475 0.03443 -0.07340 -0.02658 -0.05567
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398 15G 0 -0.00997 -0.01039 -0.00454 -0.01136 0.00573
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400 15G-1 0.00137 0.00951 -0.00013 0.00411 0.00382
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404 15G-3 -0.00464 -0.00398 -0.00444 -0.00398 0.00408
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406 15G-4 0.00035 0.00093 0.00175 0.00090 -0.00021
101 102 103 104 105
V V V V V
Eigenvalues -- 2.26203 2.28256 2.31396 2.33777 2.36147
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256 9PX 0.00000 0.00000 7.06932 1.42492 0.00000
257 9PY 0.00000 0.00000 -1.65692 -3.52249 0.00000
258 9PZ -3.59799 -0.84175 0.00000 0.00000 -1.94552
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260 10D+1 0.00109 -0.01050 0.00000 0.00000 0.03295
261 10D-1 -0.00190 -0.00041 0.00000 0.00000 0.02108
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263 10D-2 0.00000 0.00000 0.00773 -0.01331 0.00000
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266 11D-1 0.03258 0.01166 0.00000 0.00000 -0.09602
267 11D+2 0.00000 0.00000 0.12965 0.20818 0.00000
268 11D-2 0.00000 0.00000 -0.06585 0.01856 0.00000
269 12D 0 0.00000 0.00000 -1.28845 -0.78060 0.00000
270 12D+1 -2.11019 -0.75092 0.00000 0.00000 -0.12974
271 12D-1 0.67003 0.15054 0.00000 0.00000 0.73107
272 12D+2 0.00000 0.00000 1.53057 -0.44897 0.00000
273 12D-2 0.00000 0.00000 -1.29384 -1.91865 0.00000
274 13F 0 0.00101 -0.00239 0.00000 0.00000 -0.00330
275 13F+1 0.00000 0.00000 -0.00027 0.00013 0.00000
276 13F-1 0.00000 0.00000 -0.00321 -0.00267 0.00000
277 13F+2 0.01332 0.00231 0.00000 0.00000 0.00073
278 13F-2 -0.00573 -0.00011 0.00000 0.00000 -0.00083
279 13F+3 0.00000 0.00000 0.00655 0.00783 0.00000
280 13F-3 0.00000 0.00000 0.00561 -0.00168 0.00000
281 14F 0 0.20793 0.07580 0.00000 0.00000 0.08292
282 14F+1 0.00000 0.00000 -0.14641 -0.08622 0.00000
283 14F-1 0.00000 0.00000 0.07939 0.08746 0.00000
284 14F+2 -0.29191 -0.08365 0.00000 0.00000 -0.07317
285 14F-2 0.20936 0.04770 0.00000 0.00000 0.05653
286 14F+3 0.00000 0.00000 0.06647 -0.11335 0.00000
287 14F-3 0.00000 0.00000 -0.21400 -0.19250 0.00000
288 15G 0 0.00000 0.00000 0.00648 0.00546 0.00000
289 15G+1 0.01809 0.00584 0.00000 0.00000 0.00267
290 15G-1 -0.00748 -0.00205 0.00000 0.00000 -0.00058
291 15G+2 0.00000 0.00000 -0.00566 -0.00009 0.00000
292 15G-2 0.00000 0.00000 0.00641 0.00675 0.00000
293 15G+3 -0.00952 -0.00533 0.00000 0.00000 -0.00124
294 15G-3 0.01637 0.00396 0.00000 0.00000 0.00325
295 15G+4 0.00000 0.00000 0.00064 -0.01404 0.00000
296 15G-4 0.00000 0.00000 -0.01385 -0.01138 0.00000
297 5 H 1S -0.02491 0.00729 -0.01146 -0.00616 -0.00170
298 2S 0.64613 -0.19265 0.42028 -0.06511 0.38679
299 3S -8.05111 -0.42167 -4.56436 0.28315 -3.56987
300 4S -15.22039 -0.79295 -7.35892 -1.14231 -3.73322
301 5S -0.04123 0.55343 -0.07756 -0.01245 -0.62464
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303 6PY -0.00968 -0.00240 -0.00292 -0.01349 -0.00392
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306 7PY -0.00405 0.03723 -0.00640 0.08563 0.01370
307 7PZ -0.14997 0.09964 -0.09625 -0.03518 -0.10428
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309 8PY 0.88147 -0.17987 0.40981 -0.77409 0.16885
310 8PZ 2.83139 -0.31867 1.80508 0.28530 1.56195
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312 9PY 3.04618 -0.18245 0.66513 -0.55661 -1.28491
313 9PZ 5.00256 -0.69819 4.96288 0.51804 2.41561
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316 10D-1 0.00338 0.00283 0.00455 -0.00770 0.01097
317 10D+2 0.01439 0.00699 0.00432 -0.00562 -0.02543
318 10D-2 0.00410 -0.00785 -0.00478 0.00931 0.00508
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320 11D+1 -0.19574 -0.04706 -0.06820 -0.01517 -0.11449
321 11D-1 -0.07778 -0.02454 -0.05227 0.06057 -0.05737
322 11D+2 -0.09148 -0.04343 -0.01748 0.01907 0.11195
323 11D-2 -0.06672 0.02929 0.02330 -0.02839 -0.03192
324 12D 0 -0.13095 0.24808 -1.69595 -0.48508 -0.90629
325 12D+1 -1.88505 0.33447 -0.24341 -0.05183 -1.27919
326 12D-1 -1.25161 0.66153 -0.81882 0.26720 0.26305
327 12D+2 -0.16637 0.01723 0.37838 -0.42343 -1.49089
328 12D-2 -1.16827 0.02125 0.02278 0.69911 -0.21913
329 13F 0 0.00744 -0.00236 -0.00489 0.00269 0.00351
330 13F+1 0.00834 0.00310 0.00543 0.00110 0.00015
331 13F-1 0.00541 0.00289 -0.00339 0.00059 -0.00051
332 13F+2 0.00641 0.00292 0.00281 0.00280 -0.00557
333 13F-2 -0.00237 0.00314 0.00268 -0.00081 -0.00039
334 13F+3 -0.00176 -0.00173 0.00503 -0.00002 0.00336
335 13F-3 0.00142 0.00230 0.00357 0.00721 -0.00461
336 14F 0 -0.12981 0.01930 0.21244 0.05518 0.02390
337 14F+1 0.13454 -0.03572 0.07728 0.02748 0.17859
338 14F-1 0.05724 -0.06576 0.17691 -0.01001 -0.02197
339 14F+2 0.04728 0.00576 -0.07805 0.02745 0.21122
340 14F-2 0.24045 -0.05835 -0.01462 -0.07149 0.05012
341 14F+3 -0.02330 0.02641 -0.02878 0.04740 0.02946
342 14F-3 0.07282 -0.02216 -0.06197 -0.07800 0.08994
343 15G 0 0.01038 -0.00278 -0.00603 -0.00253 -0.00037
344 15G+1 -0.00044 0.00074 -0.01017 -0.00165 -0.00894
345 15G-1 0.00109 0.00167 -0.01310 -0.00433 0.00115
346 15G+2 -0.00340 -0.00046 0.00595 -0.00181 -0.01558
347 15G-2 -0.01413 0.00412 -0.00397 0.00222 -0.00279
348 15G+3 0.00680 -0.00197 0.00193 -0.00521 -0.00757
349 15G-3 -0.01073 0.00281 0.00444 0.00425 -0.00944
350 15G+4 0.00290 -0.00185 -0.00116 -0.00296 0.00040
351 15G-4 -0.00167 0.00017 0.00111 0.00064 -0.00440
352 6 H 1S 0.02491 -0.00729 -0.01146 -0.00616 0.00170
353 2S -0.64613 0.19265 0.42028 -0.06511 -0.38679
354 3S 8.05111 0.42167 -4.56436 0.28315 3.56987
355 4S 15.22039 0.79295 -7.35892 -1.14231 3.73322
356 5S 0.04123 -0.55343 -0.07756 -0.01245 0.62464
357 6PX -0.00833 -0.00673 0.01035 0.00505 0.00775
358 6PY 0.00968 0.00240 -0.00292 -0.01349 0.00392
359 6PZ 0.01217 -0.01326 -0.00184 -0.00651 0.00922
360 7PX 0.12373 0.01975 -0.05196 -0.02580 0.01398
361 7PY 0.00405 -0.03723 -0.00640 0.08563 -0.01370
362 7PZ -0.14997 0.09964 0.09625 0.03518 -0.10428
363 8PX -2.04668 -0.34131 0.65996 0.09261 -0.67963
364 8PY -0.88147 0.17987 0.40981 -0.77409 -0.16885
365 8PZ 2.83139 -0.31867 -1.80508 -0.28530 1.56195
366 9PX -4.72982 0.26251 -0.41611 -0.02489 -3.08625
367 9PY -3.04618 0.18245 0.66513 -0.55661 1.28491
368 9PZ 5.00256 -0.69819 -4.96288 -0.51804 2.41561
369 10D 0 -0.02031 0.00473 0.01194 -0.00033 0.00054
370 10D+1 0.01709 0.00384 -0.00695 -0.00324 0.01288
371 10D-1 0.00338 0.00283 -0.00455 0.00770 0.01097
372 10D+2 -0.01439 -0.00699 0.00432 -0.00562 0.02543
373 10D-2 -0.00410 0.00785 -0.00478 0.00931 -0.00508
374 11D 0 0.15812 -0.00647 -0.12067 -0.02087 0.02798
375 11D+1 -0.19574 -0.04706 0.06820 0.01517 -0.11449
376 11D-1 -0.07778 -0.02454 0.05227 -0.06057 -0.05737
377 11D+2 0.09148 0.04343 -0.01748 0.01907 -0.11195
378 11D-2 0.06672 -0.02929 0.02330 -0.02839 0.03192
379 12D 0 0.13095 -0.24808 -1.69595 -0.48508 0.90629
380 12D+1 -1.88505 0.33447 0.24341 0.05183 -1.27919
381 12D-1 -1.25161 0.66153 0.81882 -0.26720 0.26305
382 12D+2 0.16637 -0.01723 0.37838 -0.42343 1.49089
383 12D-2 1.16827 -0.02125 0.02278 0.69911 0.21913
384 13F 0 0.00744 -0.00236 0.00489 -0.00269 0.00351
385 13F+1 -0.00834 -0.00310 0.00543 0.00110 -0.00015
386 13F-1 -0.00541 -0.00289 -0.00339 0.00059 0.00051
387 13F+2 0.00641 0.00292 -0.00281 -0.00280 -0.00557
388 13F-2 -0.00237 0.00314 -0.00268 0.00081 -0.00039
389 13F+3 0.00176 0.00173 0.00503 -0.00002 -0.00336
390 13F-3 -0.00142 -0.00230 0.00357 0.00721 0.00461
391 14F 0 -0.12981 0.01930 -0.21244 -0.05518 0.02390
392 14F+1 -0.13454 0.03572 0.07728 0.02748 -0.17859
393 14F-1 -0.05724 0.06576 0.17691 -0.01001 0.02197
394 14F+2 0.04728 0.00576 0.07805 -0.02745 0.21122
395 14F-2 0.24045 -0.05835 0.01462 0.07149 0.05012
396 14F+3 0.02330 -0.02641 -0.02878 0.04740 -0.02946
397 14F-3 -0.07282 0.02216 -0.06197 -0.07800 -0.08994
398 15G 0 -0.01038 0.00278 -0.00603 -0.00253 0.00037
399 15G+1 -0.00044 0.00074 0.01017 0.00165 -0.00894
400 15G-1 0.00109 0.00167 0.01310 0.00433 0.00115
401 15G+2 0.00340 0.00046 0.00595 -0.00181 0.01558
402 15G-2 0.01413 -0.00412 -0.00397 0.00222 0.00279
403 15G+3 0.00680 -0.00197 -0.00193 0.00521 -0.00757
404 15G-3 -0.01073 0.00281 -0.00444 -0.00425 -0.00944
405 15G+4 -0.00290 0.00185 -0.00116 -0.00296 -0.00040
406 15G-4 0.00167 -0.00017 0.00111 0.00064 0.00440
106 107 108 109 110
V V V V V
Eigenvalues -- 2.37080 2.40098 2.40872 2.47094 2.47463
1 1 C 1S -0.00119 0.00027 0.00000 0.01199 -0.02078
2 2S -0.00071 0.00213 0.00000 -0.02365 0.04893
3 3S -0.00910 -0.03968 0.00000 0.00658 0.05963
4 4S -0.19106 1.54143 0.00000 -0.90856 -0.69418
5 5S 0.38732 -9.46997 0.00000 6.70466 1.30481
6 6S -1.50642 -2.80712 0.00000 4.97558 -1.04877
7 7PX -0.07598 -0.00061 0.00000 0.04071 -0.00373
8 7PY 0.00241 -0.00437 0.00000 0.00121 -0.06944
9 7PZ 0.00000 0.00000 0.06781 0.00000 0.00000
10 8PX -0.57322 -0.71487 0.00000 -0.74374 -0.04612
11 8PY -0.10816 0.07036 0.00000 -0.00733 -0.23317
12 8PZ 0.00000 0.00000 0.12733 0.00000 0.00000
13 9PX 7.38374 7.77986 0.00000 7.03264 1.19824
14 9PY 0.87060 -0.29722 0.00000 0.51209 0.04432
15 9PZ 0.00000 0.00000 -2.10559 0.00000 0.00000
16 10PX -0.79302 7.26861 0.00000 8.93942 -1.11502
17 10PY 0.88479 -4.58013 0.00000 -0.18018 6.08417
18 10PZ 0.00000 0.00000 2.31089 0.00000 0.00000
19 11PX 0.55879 0.56290 0.00000 0.11181 -0.28464
20 11PY 0.16105 -0.21630 0.00000 -0.29999 0.91946
21 11PZ 0.00000 0.00000 -0.38762 0.00000 0.00000
22 12D 0 -0.03060 -0.01857 0.00000 -0.01082 -0.00129
23 12D+1 0.00000 0.00000 0.01576 0.00000 0.00000
24 12D-1 0.00000 0.00000 0.01562 0.00000 0.00000
25 12D+2 0.02261 0.00945 0.00000 0.00149 0.01195
26 12D-2 -0.01554 -0.01053 0.00000 -0.00321 -0.00500
27 13D 0 0.19568 0.05407 0.00000 -0.00146 0.03052
28 13D+1 0.00000 0.00000 -0.10907 0.00000 0.00000
29 13D-1 0.00000 0.00000 -0.06321 0.00000 0.00000
30 13D+2 -0.11955 -0.09581 0.00000 -0.02350 0.00749
31 13D-2 0.02300 0.04727 0.00000 0.06892 0.03620
32 14D 0 1.02707 2.37097 0.00000 2.78439 0.82537
33 14D+1 0.00000 0.00000 -0.55342 0.00000 0.00000
34 14D-1 0.00000 0.00000 -0.77190 0.00000 0.00000
35 14D+2 -1.15089 -0.74059 0.00000 -0.84030 0.38637
36 14D-2 2.77385 1.80090 0.00000 0.97484 -0.06513
37 15D 0 -1.42306 -0.62405 0.00000 1.82695 1.52357
38 15D+1 0.00000 0.00000 1.07025 0.00000 0.00000
39 15D-1 0.00000 0.00000 -1.33797 0.00000 0.00000
40 15D+2 0.49295 -1.85589 0.00000 -0.99629 2.18741
41 15D-2 3.89235 1.71021 0.00000 1.54251 0.56533
42 16F 0 0.00000 0.00000 -0.05386 0.00000 0.00000
43 16F+1 0.01441 -0.01205 0.00000 -0.02155 -0.01261
44 16F-1 -0.01265 0.02775 0.00000 0.00944 -0.00584
45 16F+2 0.00000 0.00000 0.02243 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.01402 0.00000 0.00000
47 16F+3 0.03807 -0.01804 0.00000 -0.01205 0.00456
48 16F-3 0.00613 0.02567 0.00000 -0.00176 -0.01242
49 17F 0 0.00000 0.00000 0.40936 0.00000 0.00000
50 17F+1 -0.08093 0.08101 0.00000 0.23550 0.09294
51 17F-1 0.31707 -0.03418 0.00000 0.07941 0.05112
52 17F+2 0.00000 0.00000 -0.18879 0.00000 0.00000
53 17F-2 0.00000 0.00000 -0.21123 0.00000 0.00000
54 17F+3 -0.17350 0.27585 0.00000 0.21353 -0.00885
55 17F-3 -0.18218 -0.28881 0.00000 -0.03324 0.03687
56 18F 0 0.00000 0.00000 -0.25773 0.00000 0.00000
57 18F+1 0.62682 -0.21143 0.00000 0.76913 -0.21181
58 18F-1 0.98576 0.67062 0.00000 0.39171 0.39723
59 18F+2 0.00000 0.00000 0.18745 0.00000 0.00000
60 18F-2 0.00000 0.00000 -0.21658 0.00000 0.00000
61 18F+3 1.75625 1.29629 0.00000 2.38987 0.50509
62 18F-3 -0.77946 0.10802 0.00000 0.55734 0.33575
63 19G 0 -0.02026 -0.01585 0.00000 -0.01300 -0.00672
64 19G+1 0.00000 0.00000 -0.01400 0.00000 0.00000
65 19G-1 0.00000 0.00000 -0.00892 0.00000 0.00000
66 19G+2 0.01380 0.00913 0.00000 -0.00016 -0.00538
67 19G-2 0.01611 0.00950 0.00000 0.00856 0.00945
68 19G+3 0.00000 0.00000 0.00918 0.00000 0.00000
69 19G-3 0.00000 0.00000 -0.00877 0.00000 0.00000
70 19G+4 -0.00325 -0.01656 0.00000 0.00342 -0.00315
71 19G-4 0.02585 0.01893 0.00000 0.02048 0.00055
72 20G 0 -0.22149 -0.11695 0.00000 -0.11575 0.06525
73 20G+1 0.00000 0.00000 0.13427 0.00000 0.00000
74 20G-1 0.00000 0.00000 0.13858 0.00000 0.00000
75 20G+2 -0.03657 0.42704 0.00000 0.55751 0.06213
76 20G-2 0.05571 -0.09490 0.00000 0.15707 0.01296
77 20G+3 0.00000 0.00000 0.02441 0.00000 0.00000
78 20G-3 0.00000 0.00000 -0.05742 0.00000 0.00000
79 20G+4 0.00240 0.03016 0.00000 -0.31040 0.00001
80 20G-4 0.02491 0.22556 0.00000 0.11703 -0.03263
81 21H 0 0.00000 0.00000 0.00714 0.00000 0.00000
82 21H+1 -0.03442 0.01621 0.00000 0.02703 0.00725
83 21H-1 -0.02115 -0.00640 0.00000 0.00225 0.00562
84 21H+2 0.00000 0.00000 0.01307 0.00000 0.00000
85 21H-2 0.00000 0.00000 0.01278 0.00000 0.00000
86 21H+3 -0.01217 0.02278 0.00000 0.00081 0.00822
87 21H-3 0.01654 0.03202 0.00000 0.04021 -0.00289
88 21H+4 0.00000 0.00000 -0.00018 0.00000 0.00000
89 21H-4 0.00000 0.00000 -0.00084 0.00000 0.00000
90 21H+5 -0.02614 -0.00940 0.00000 0.02923 -0.00115
91 21H-5 -0.00480 -0.01622 0.00000 -0.00824 0.00559
92 2 S 1S 0.00029 0.00760 0.00000 -0.00228 0.00330
93 2S 0.00064 -0.01461 0.00000 0.00891 0.02132
94 3S 0.00468 0.02293 0.00000 0.00415 0.09580
95 4S 0.01973 -0.33451 0.00000 0.14225 0.57085
96 5S -0.15448 2.73324 0.00000 -0.35175 -3.31816
97 6S 0.47752 -6.85095 0.00000 -0.61884 8.19934
98 7S 0.64598 -0.30638 0.00000 -0.99318 3.34098
99 8PX -0.01217 0.00252 0.00000 -0.01542 -0.02155
100 8PY -0.00253 0.03315 0.00000 0.00577 -0.01937
101 8PZ 0.00000 0.00000 -0.00684 0.00000 0.00000
102 9PX 0.02232 0.02956 0.00000 0.03185 0.00931
103 9PY 0.01158 -0.04915 0.00000 -0.00717 0.06216
104 9PZ 0.00000 0.00000 0.00857 0.00000 0.00000
105 10PX 0.02717 0.16922 0.00000 0.02379 -0.22201
106 10PY 0.02970 0.10017 0.00000 0.02874 0.18055
107 10PZ 0.00000 0.00000 -0.03386 0.00000 0.00000
108 11PX -0.19032 0.20830 0.00000 -0.04384 1.09805
109 11PY -0.05010 -1.47675 0.00000 -0.35069 -0.44112
110 11PZ 0.00000 0.00000 0.31204 0.00000 0.00000
111 12PX 3.11881 -3.29583 0.00000 1.21207 2.79088
112 12PY 0.47653 1.25778 0.00000 -0.07525 3.32889
113 12PZ 0.00000 0.00000 -0.51949 0.00000 0.00000
114 13PX 0.07922 -0.03174 0.00000 -0.03643 0.18761
115 13PY 0.04929 0.53836 0.00000 -0.13784 0.29929
116 13PZ 0.00000 0.00000 0.01098 0.00000 0.00000
117 14D 0 0.24144 0.59236 0.00000 -0.17547 -1.09426
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119 14D-1 0.00000 0.00000 -0.74097 0.00000 0.00000
120 14D+2 0.09227 -2.93603 0.00000 0.50745 -0.52386
121 14D-2 2.29620 1.58374 0.00000 1.18509 -0.07293
122 15D 0 -0.00539 0.49713 0.00000 0.08264 -0.59991
123 15D+1 0.00000 0.00000 0.25811 0.00000 0.00000
124 15D-1 0.00000 0.00000 -0.09498 0.00000 0.00000
125 15D+2 -0.02916 0.14543 0.00000 0.34317 0.58401
126 15D-2 0.54043 0.17129 0.00000 0.49340 -0.22486
127 16D 0 0.01571 -0.06626 0.00000 -0.00381 0.08303
128 16D+1 0.00000 0.00000 -0.01768 0.00000 0.00000
129 16D-1 0.00000 0.00000 0.01268 0.00000 0.00000
130 16D+2 -0.01450 0.01910 0.00000 -0.00133 -0.06866
131 16D-2 0.00774 -0.02199 0.00000 0.03262 0.06189
132 17D 0 0.00694 0.02196 0.00000 -0.00025 -0.02837
133 17D+1 0.00000 0.00000 0.01588 0.00000 0.00000
134 17D-1 0.00000 0.00000 -0.01312 0.00000 0.00000
135 17D+2 -0.00830 -0.00668 0.00000 0.02821 -0.00971
136 17D-2 0.06602 0.01347 0.00000 0.04181 0.00050
137 18F 0 0.00000 0.00000 0.14359 0.00000 0.00000
138 18F+1 -0.20336 -0.35515 0.00000 0.47657 -0.24406
139 18F-1 0.29012 -0.19884 0.00000 0.04293 -0.62644
140 18F+2 0.00000 0.00000 0.60970 0.00000 0.00000
141 18F-2 0.00000 0.00000 0.07597 0.00000 0.00000
142 18F+3 -0.93079 -0.89801 0.00000 0.44749 0.09022
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144 19F 0 0.00000 0.00000 -0.17915 0.00000 0.00000
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175 22G-4 0.06879 0.01397 0.00000 -0.02340 0.00510
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188 2S 0.06032 -0.66680 0.00000 -0.07946 0.10642
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218 12D-2 0.41463 0.15329 0.00000 0.47207 -0.10247
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225 13F-3 -0.00615 0.00526 0.00000 0.00374 -0.00145
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232 14F-3 0.04689 -0.01682 0.00000 -0.07072 -0.01480
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241 15G-4 0.00375 -0.00012 0.00000 0.00227 0.00207
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243 2S -0.55279 -0.50365 0.00000 -0.30182 -0.02318
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280 13F-3 0.00382 -0.00743 0.00000 -0.00787 0.00601
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287 14F-3 -0.06620 -0.04030 0.00000 -0.11971 -0.06481
288 15G 0 0.00469 0.00281 0.00000 0.00178 0.00297
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292 15G-2 -0.00249 0.00229 0.00000 0.00506 0.00208
293 15G+3 0.00000 0.00000 0.00422 0.00000 0.00000
294 15G-3 0.00000 0.00000 -0.00750 0.00000 0.00000
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296 15G-4 -0.00489 -0.00409 0.00000 -0.00452 -0.00166
297 5 H 1S -0.00176 0.00199 0.00567 0.00299 -0.00665
298 2S 0.28516 0.19230 -0.25767 0.18241 0.08758
299 3S -2.99579 -1.72884 0.89314 -4.17756 -1.47442
300 4S -1.65046 -1.25248 0.45976 -7.24487 -1.40008
301 5S -0.30875 -0.05576 0.51708 0.06576 -0.09466
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310 8PZ 1.11525 0.70599 -0.57408 1.26532 0.16455
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313 9PZ 2.32729 1.31383 -1.77653 2.33801 0.31710
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327 12D+2 -0.73821 0.46756 -0.10882 0.35658 -0.76578
328 12D-2 0.55534 -0.12152 0.07256 -0.19768 -0.23237
329 13F 0 -0.00103 -0.00239 0.00174 0.00240 -0.00179
330 13F+1 -0.00237 0.00196 0.00374 0.00460 0.00182
331 13F-1 -0.00181 -0.00447 0.00302 0.00028 0.00513
332 13F+2 0.00378 0.00054 -0.00189 0.00336 -0.00272
333 13F-2 0.00346 0.00232 -0.00053 0.00477 0.00439
334 13F+3 -0.00434 -0.00278 0.00208 -0.00748 -0.00557
335 13F-3 -0.00104 -0.00151 0.00086 -0.00239 0.00060
336 14F 0 0.13192 0.02793 -0.14167 0.00817 -0.00390
337 14F+1 0.13637 -0.02611 -0.08643 -0.01949 -0.01555
338 14F-1 0.07148 0.15842 -0.09014 0.12223 -0.01484
339 14F+2 0.02337 -0.12224 0.02036 -0.13635 0.01278
340 14F-2 -0.04134 0.04561 0.03353 0.05526 0.00029
341 14F+3 0.05869 -0.02979 -0.02856 -0.01048 0.02892
342 14F-3 -0.00838 -0.00975 0.01650 0.00561 0.00844
343 15G 0 -0.00417 0.00094 0.00914 -0.00061 -0.00046
344 15G+1 -0.00990 -0.00010 0.00945 -0.00072 0.00224
345 15G-1 -0.00705 -0.00627 0.01041 -0.00213 -0.00015
346 15G+2 -0.00486 0.00874 -0.00195 0.00802 0.00070
347 15G-2 -0.00075 -0.00414 0.00003 -0.00464 0.00005
348 15G+3 -0.00565 0.00646 0.00111 0.00572 -0.00070
349 15G-3 0.00028 0.00316 -0.00371 0.00174 -0.00130
350 15G+4 -0.00161 0.00010 0.00066 0.00132 -0.00007
351 15G-4 -0.00082 0.00096 -0.00015 0.00031 -0.00121
352 6 H 1S -0.00176 0.00199 -0.00567 0.00299 -0.00665
353 2S 0.28516 0.19230 0.25767 0.18241 0.08758
354 3S -2.99579 -1.72884 -0.89314 -4.17756 -1.47442
355 4S -1.65046 -1.25248 -0.45976 -7.24487 -1.40008
356 5S -0.30875 -0.05576 -0.51708 0.06576 -0.09466
357 6PX 0.01265 0.00286 0.00450 -0.00615 -0.00260
358 6PY 0.00205 0.00633 -0.00212 0.00942 0.01043
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362 7PZ 0.04911 0.02422 0.06501 -0.00285 -0.01391
363 8PX 0.72388 0.20656 0.24108 0.20790 0.13365
364 8PY 0.32685 0.85881 -0.03153 1.34206 0.48841
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366 9PX 0.23729 -0.77301 -0.00897 0.33903 0.60118
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374 11D 0 -0.12531 -0.05948 0.12429 -0.10318 -0.00330
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376 11D-1 0.01531 0.04837 0.06448 0.10427 -0.00180
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378 11D-2 -0.08493 -0.04665 0.05862 -0.06676 0.01150
379 12D 0 -0.86806 -0.28479 -1.67422 -0.19012 -0.00067
380 12D+1 0.71341 -0.28605 -0.15005 -0.31053 -0.35332
381 12D-1 0.26164 1.15826 -0.01025 1.16912 0.22523
382 12D+2 -0.73821 0.46756 0.10882 0.35658 -0.76578
383 12D-2 0.55534 -0.12152 -0.07256 -0.19768 -0.23237
384 13F 0 0.00103 0.00239 0.00174 -0.00240 0.00179
385 13F+1 -0.00237 0.00196 -0.00374 0.00460 0.00182
386 13F-1 -0.00181 -0.00447 -0.00302 0.00028 0.00513
387 13F+2 -0.00378 -0.00054 -0.00189 -0.00336 0.00272
388 13F-2 -0.00346 -0.00232 -0.00053 -0.00477 -0.00439
389 13F+3 -0.00434 -0.00278 -0.00208 -0.00748 -0.00557
390 13F-3 -0.00104 -0.00151 -0.00086 -0.00239 0.00060
391 14F 0 -0.13192 -0.02793 -0.14167 -0.00817 0.00390
392 14F+1 0.13637 -0.02611 0.08643 -0.01949 -0.01555
393 14F-1 0.07148 0.15842 0.09014 0.12223 -0.01484
394 14F+2 -0.02337 0.12224 0.02036 0.13635 -0.01278
395 14F-2 0.04134 -0.04561 0.03353 -0.05526 -0.00029
396 14F+3 0.05869 -0.02979 0.02856 -0.01048 0.02892
397 14F-3 -0.00838 -0.00975 -0.01650 0.00561 0.00844
398 15G 0 -0.00417 0.00094 -0.00914 -0.00061 -0.00046
399 15G+1 0.00990 0.00010 0.00945 0.00072 -0.00224
400 15G-1 0.00705 0.00627 0.01041 0.00213 0.00015
401 15G+2 -0.00486 0.00874 0.00195 0.00802 0.00070
402 15G-2 -0.00075 -0.00414 -0.00003 -0.00464 0.00005
403 15G+3 0.00565 -0.00646 0.00111 -0.00572 0.00070
404 15G-3 -0.00028 -0.00316 -0.00371 -0.00174 0.00130
405 15G+4 -0.00161 0.00010 -0.00066 0.00132 -0.00007
406 15G-4 -0.00082 0.00096 0.00015 0.00031 -0.00121
111 112 113 114 115
V V V V V
Eigenvalues -- 2.49675 2.52305 2.53301 2.53534 2.57163
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2 2S 0.00000 0.00000 0.02308 0.00000 0.02040
3 3S 0.00000 0.00000 0.27729 0.00000 -0.00574
4 4S 0.00000 0.00000 -3.24178 0.00000 -0.07533
5 5S 0.00000 0.00000 6.49640 0.00000 0.12937
6 6S 0.00000 0.00000 0.05609 0.00000 -5.79620
7 7PX 0.00000 0.00000 0.00160 0.00000 -0.00638
8 7PY 0.00000 0.00000 0.06322 0.00000 0.04090
9 7PZ 0.00615 0.02921 0.00000 -0.02647 0.00000
10 8PX 0.00000 0.00000 -0.07330 0.00000 0.66961
11 8PY 0.00000 0.00000 0.21590 0.00000 0.03851
12 8PZ -0.45678 -0.73485 0.00000 -0.65113 0.00000
13 9PX 0.00000 0.00000 0.73392 0.00000 -6.77234
14 9PY 0.00000 0.00000 -1.19163 0.00000 -0.38059
15 9PZ 4.58687 7.62579 0.00000 7.42862 0.00000
16 10PX 0.00000 0.00000 1.25103 0.00000 -4.75559
17 10PY 0.00000 0.00000 3.44509 0.00000 4.80014
18 10PZ 5.10121 7.11325 0.00000 0.87198 0.00000
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20 11PY 0.00000 0.00000 -0.47409 0.00000 0.76949
21 11PZ -0.16820 0.11623 0.00000 0.26066 0.00000
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25 12D+2 0.00000 0.00000 0.02123 0.00000 0.00215
26 12D-2 0.00000 0.00000 0.00219 0.00000 0.01241
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28 13D+1 0.03198 0.03176 0.00000 0.11442 0.00000
29 13D-1 0.11591 0.04818 0.00000 0.10381 0.00000
30 13D+2 0.00000 0.00000 -0.19084 0.00000 -0.01637
31 13D-2 0.00000 0.00000 -0.03926 0.00000 -0.03644
32 14D 0 0.00000 0.00000 0.97628 0.00000 -1.37598
33 14D+1 1.67783 2.34135 0.00000 1.72410 0.00000
34 14D-1 -0.14071 1.90284 0.00000 1.69399 0.00000
35 14D+2 0.00000 0.00000 2.21043 0.00000 1.02411
36 14D-2 0.00000 0.00000 0.97852 0.00000 -1.68278
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399 15G+1 0.00308 -0.00408 -0.00985 -0.00460 -0.00464
400 15G-1 -0.00105 -0.00376 0.00188 -0.00004 -0.00752
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406 15G-4 -0.00246 -0.00243 0.00054 0.00094 -0.00237
116 117 118 119 120
V V V V V
Eigenvalues -- 2.59723 2.63441 2.67885 2.74864 2.76619
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260 10D+1 0.01172 0.00000 0.00000 0.00018 0.00000
261 10D-1 -0.00351 0.00000 0.00000 -0.00972 0.00000
262 10D+2 0.00000 0.00657 -0.02638 0.00000 0.01297
263 10D-2 0.00000 -0.00316 0.01399 0.00000 0.00169
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266 11D-1 0.01054 0.00000 0.00000 0.04471 0.00000
267 11D+2 0.00000 -0.04022 0.20884 0.00000 -0.06677
268 11D-2 0.00000 -0.01262 -0.12269 0.00000 -0.03839
269 12D 0 0.00000 0.06712 0.24033 0.00000 0.27469
270 12D+1 1.52805 0.00000 0.00000 0.45000 0.00000
271 12D-1 -0.44141 0.00000 0.00000 -0.32157 0.00000
272 12D+2 0.00000 -0.57243 -0.43358 0.00000 0.11761
273 12D-2 0.00000 -0.67283 0.40536 0.00000 -0.40190
274 13F 0 -0.00991 0.00000 0.00000 0.00459 0.00000
275 13F+1 0.00000 -0.00255 -0.00494 0.00000 0.00151
276 13F-1 0.00000 0.00645 0.00496 0.00000 0.00591
277 13F+2 0.00219 0.00000 0.00000 0.00755 0.00000
278 13F-2 -0.00188 0.00000 0.00000 -0.01035 0.00000
279 13F+3 0.00000 -0.00029 0.00527 0.00000 -0.00367
280 13F-3 0.00000 0.00210 0.00522 0.00000 -0.00682
281 14F 0 -0.05660 0.00000 0.00000 -0.07478 0.00000
282 14F+1 0.00000 0.04600 0.00506 0.00000 -0.01052
283 14F-1 0.00000 -0.01520 -0.03313 0.00000 -0.01893
284 14F+2 0.13123 0.00000 0.00000 0.00118 0.00000
285 14F-2 -0.04649 0.00000 0.00000 0.03589 0.00000
286 14F+3 0.00000 -0.11112 0.02244 0.00000 -0.02153
287 14F-3 0.00000 -0.07235 -0.05654 0.00000 -0.00759
288 15G 0 0.00000 -0.00225 0.00007 0.00000 -0.00158
289 15G+1 -0.01010 0.00000 0.00000 -0.00269 0.00000
290 15G-1 0.00034 0.00000 0.00000 0.00130 0.00000
291 15G+2 0.00000 0.00316 0.00006 0.00000 0.00078
292 15G-2 0.00000 0.00106 -0.00278 0.00000 -0.00039
293 15G+3 0.00851 0.00000 0.00000 -0.00046 0.00000
294 15G-3 -0.00567 0.00000 0.00000 -0.00174 0.00000
295 15G+4 0.00000 -0.00933 0.00090 0.00000 -0.00137
296 15G-4 0.00000 -0.00054 0.00108 0.00000 -0.00150
297 5 H 1S -0.00084 -0.01138 -0.00321 0.00884 -0.01478
298 2S 0.21159 -0.01182 0.23312 0.50220 -0.19495
299 3S -2.30157 2.49471 -4.94423 -5.19257 2.17450
300 4S -2.28671 -1.00512 -6.14652 -6.15736 -2.02980
301 5S -0.15154 0.36535 -0.01097 -0.17687 -0.01380
302 6PX 0.01321 -0.00277 0.01037 -0.03581 0.01348
303 6PY 0.00365 0.00387 -0.01268 -0.04007 0.00785
304 6PZ -0.01428 0.00637 -0.01613 -0.02369 0.04095
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306 7PY -0.03477 -0.01870 0.07067 0.20282 -0.04245
307 7PZ 0.05390 -0.03216 0.06340 0.07288 -0.21863
308 8PX 1.35142 -0.62322 1.15595 -0.46082 -0.02814
309 8PY 0.52050 -0.30531 -0.29795 -0.92453 -0.04212
310 8PZ 0.01384 -0.65673 0.68255 1.06260 0.67976
311 9PX 1.71293 0.40391 1.57477 -0.08586 0.22171
312 9PY 0.27644 -0.25555 -0.81610 0.51123 0.26211
313 9PZ 0.51522 0.67490 1.95244 1.34811 1.59500
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315 10D+1 0.00839 -0.01102 0.00276 0.02119 -0.01681
316 10D-1 0.01086 -0.00474 0.01056 0.01587 -0.01346
317 10D+2 -0.00802 -0.00323 -0.00148 0.01230 -0.00733
318 10D-2 -0.00522 -0.00564 -0.00120 0.01989 -0.00297
319 11D 0 -0.01598 0.09188 -0.05822 -0.25314 0.11094
320 11D+1 -0.09265 0.11524 -0.08817 -0.19398 0.14407
321 11D-1 -0.07608 0.06669 -0.07228 -0.13709 0.11564
322 11D+2 0.02167 0.02384 -0.02283 -0.07872 0.04644
323 11D-2 0.00604 0.05224 -0.00776 -0.12718 0.04441
324 12D 0 0.62540 -0.34588 -0.30475 -0.00448 -0.97286
325 12D+1 -0.81536 -0.27054 -0.64831 0.53037 -0.69671
326 12D-1 0.04087 -0.04811 0.85615 0.68587 -0.71560
327 12D+2 -0.65472 -0.08065 -0.59951 0.33981 -0.19901
328 12D-2 -0.74875 -0.03296 0.12831 0.86916 -0.19137
329 13F 0 -0.00462 0.00246 -0.00024 0.00815 -0.00099
330 13F+1 -0.00011 -0.00724 0.00819 0.00853 -0.00162
331 13F-1 0.00097 0.00015 0.00184 0.00557 0.00020
332 13F+2 0.00339 0.00058 0.00113 0.00567 -0.00038
333 13F-2 0.00222 -0.00370 0.00782 -0.00061 -0.00729
334 13F+3 -0.00284 -0.00323 0.00689 -0.00019 -0.00156
335 13F-3 0.00047 -0.00086 0.00472 -0.00357 -0.00259
336 14F 0 -0.09571 -0.00029 0.03273 0.06023 0.04611
337 14F+1 0.07024 0.02966 0.04628 0.01950 0.03141
338 14F-1 -0.01382 -0.01875 -0.06627 -0.00494 0.01611
339 14F+2 0.06920 -0.00721 0.11488 -0.01895 0.00121
340 14F-2 0.06570 0.00066 -0.06310 -0.01286 0.04025
341 14F+3 0.03276 0.02788 0.00240 0.01190 0.01625
342 14F-3 0.04495 -0.00622 -0.00908 0.01416 0.00829
343 15G 0 0.00901 -0.00104 -0.00247 -0.00266 0.00009
344 15G+1 0.00108 -0.00244 -0.00298 -0.00258 -0.00481
345 15G-1 0.00398 -0.00050 0.00280 -0.00066 -0.00291
346 15G+2 -0.00660 -0.00113 -0.00859 0.00039 -0.00185
347 15G-2 -0.00373 -0.00251 0.00241 0.00331 -0.00449
348 15G+3 -0.00289 -0.00133 -0.00456 -0.00040 -0.00050
349 15G-3 -0.00461 -0.00096 -0.00220 0.00172 -0.00082
350 15G+4 0.00078 -0.00065 -0.00019 -0.00075 -0.00108
351 15G-4 -0.00326 -0.00038 -0.00055 -0.00017 0.00041
352 6 H 1S 0.00084 -0.01138 -0.00321 -0.00884 -0.01478
353 2S -0.21159 -0.01182 0.23312 -0.50220 -0.19495
354 3S 2.30157 2.49471 -4.94423 5.19257 2.17450
355 4S 2.28671 -1.00512 -6.14652 6.15736 -2.02980
356 5S 0.15154 0.36535 -0.01097 0.17687 -0.01380
357 6PX -0.01321 -0.00277 0.01037 0.03581 0.01348
358 6PY -0.00365 0.00387 -0.01268 0.04007 0.00785
359 6PZ -0.01428 -0.00637 0.01613 -0.02369 -0.04095
360 7PX 0.09805 0.01554 -0.07015 -0.16998 -0.06428
361 7PY 0.03477 -0.01870 0.07067 -0.20282 -0.04245
362 7PZ 0.05390 0.03216 -0.06340 0.07288 0.21863
363 8PX -1.35142 -0.62322 1.15595 0.46082 -0.02814
364 8PY -0.52050 -0.30531 -0.29795 0.92453 -0.04212
365 8PZ 0.01384 0.65673 -0.68255 1.06260 -0.67976
366 9PX -1.71293 0.40391 1.57477 0.08586 0.22171
367 9PY -0.27644 -0.25555 -0.81610 -0.51123 0.26211
368 9PZ 0.51522 -0.67490 -1.95244 1.34811 -1.59500
369 10D 0 -0.00494 -0.01122 0.00095 -0.02989 -0.01417
370 10D+1 0.00839 0.01102 -0.00276 0.02119 0.01681
371 10D-1 0.01086 0.00474 -0.01056 0.01587 0.01346
372 10D+2 0.00802 -0.00323 -0.00148 -0.01230 -0.00733
373 10D-2 0.00522 -0.00564 -0.00120 -0.01989 -0.00297
374 11D 0 0.01598 0.09188 -0.05822 0.25314 0.11094
375 11D+1 -0.09265 -0.11524 0.08817 -0.19398 -0.14407
376 11D-1 -0.07608 -0.06669 0.07228 -0.13709 -0.11564
377 11D+2 -0.02167 0.02384 -0.02283 0.07872 0.04644
378 11D-2 -0.00604 0.05224 -0.00776 0.12718 0.04441
379 12D 0 -0.62540 -0.34588 -0.30475 0.00448 -0.97286
380 12D+1 -0.81536 0.27054 0.64831 0.53037 0.69671
381 12D-1 0.04087 0.04811 -0.85615 0.68587 0.71560
382 12D+2 0.65472 -0.08065 -0.59951 -0.33981 -0.19901
383 12D-2 0.74875 -0.03296 0.12831 -0.86916 -0.19137
384 13F 0 -0.00462 -0.00246 0.00024 0.00815 0.00099
385 13F+1 0.00011 -0.00724 0.00819 -0.00853 -0.00162
386 13F-1 -0.00097 0.00015 0.00184 -0.00557 0.00020
387 13F+2 0.00339 -0.00058 -0.00113 0.00567 0.00038
388 13F-2 0.00222 0.00370 -0.00782 -0.00061 0.00729
389 13F+3 0.00284 -0.00323 0.00689 0.00019 -0.00156
390 13F-3 -0.00047 -0.00086 0.00472 0.00357 -0.00259
391 14F 0 -0.09571 0.00029 -0.03273 0.06023 -0.04611
392 14F+1 -0.07024 0.02966 0.04628 -0.01950 0.03141
393 14F-1 0.01382 -0.01875 -0.06627 0.00494 0.01611
394 14F+2 0.06920 0.00721 -0.11488 -0.01895 -0.00121
395 14F-2 0.06570 -0.00066 0.06310 -0.01286 -0.04025
396 14F+3 -0.03276 0.02788 0.00240 -0.01190 0.01625
397 14F-3 -0.04495 -0.00622 -0.00908 -0.01416 0.00829
398 15G 0 -0.00901 -0.00104 -0.00247 0.00266 0.00009
399 15G+1 0.00108 0.00244 0.00298 -0.00258 0.00481
400 15G-1 0.00398 0.00050 -0.00280 -0.00066 0.00291
401 15G+2 0.00660 -0.00113 -0.00859 -0.00039 -0.00185
402 15G-2 0.00373 -0.00251 0.00241 -0.00331 -0.00449
403 15G+3 -0.00289 0.00133 0.00456 -0.00040 0.00050
404 15G-3 -0.00461 0.00096 0.00220 0.00172 0.00082
405 15G+4 -0.00078 -0.00065 -0.00019 0.00075 -0.00108
406 15G-4 0.00326 -0.00038 -0.00055 0.00017 0.00041
121 122 123 124 125
V V V V V
Eigenvalues -- 2.77813 2.81811 2.83053 2.84770 2.85689
1 1 C 1S 0.02646 0.01128 0.00000 -0.01745 0.00000
2 2S 0.00698 -0.07477 0.00000 0.05814 0.00000
3 3S 0.54224 -0.23594 0.00000 0.08911 0.00000
4 4S -8.20961 2.56101 0.00000 -1.99440 0.00000
5 5S 23.14026 -6.63091 0.00000 9.50628 0.00000
6 6S 1.59389 -4.96660 0.00000 3.66244 0.00000
7 7PX 0.05705 0.00835 0.00000 -0.05031 0.00000
8 7PY 0.01308 0.01317 0.00000 0.03507 0.00000
9 7PZ 0.00000 0.00000 -0.04850 0.00000 0.00117
10 8PX 0.30971 -0.06653 0.00000 -0.08610 0.00000
11 8PY -0.04430 0.04089 0.00000 -0.07433 0.00000
12 8PZ 0.00000 0.00000 -0.27923 0.00000 -0.00099
13 9PX 0.74579 1.52199 0.00000 -1.85064 0.00000
14 9PY 0.11706 -1.15799 0.00000 2.14430 0.00000
15 9PZ 0.00000 0.00000 1.38994 0.00000 -1.76607
16 10PX -5.92396 -2.26563 0.00000 -0.21780 0.00000
17 10PY 1.04077 8.35231 0.00000 -4.39387 0.00000
18 10PZ 0.00000 0.00000 -1.56571 0.00000 0.79384
19 11PX -0.20790 0.52421 0.00000 0.28276 0.00000
20 11PY -0.10434 1.26327 0.00000 -0.93246 0.00000
21 11PZ 0.00000 0.00000 0.48426 0.00000 -0.39954
22 12D 0 -0.00639 0.00596 0.00000 -0.00450 0.00000
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24 12D-1 0.00000 0.00000 -0.01170 0.00000 0.02265
25 12D+2 0.00172 0.03115 0.00000 -0.01670 0.00000
26 12D-2 -0.00321 -0.00455 0.00000 0.00864 0.00000
27 13D 0 0.05244 -0.01807 0.00000 0.03232 0.00000
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29 13D-1 0.00000 0.00000 0.10906 0.00000 -0.09209
30 13D+2 0.03963 -0.16460 0.00000 0.02691 0.00000
31 13D-2 0.02712 0.07944 0.00000 0.02300 0.00000
32 14D 0 -1.33536 0.15042 0.00000 -0.59730 0.00000
33 14D+1 0.00000 0.00000 -0.40534 0.00000 0.15798
34 14D-1 0.00000 0.00000 -1.58050 0.00000 0.52461
35 14D+2 0.39298 1.43847 0.00000 -0.01698 0.00000
36 14D-2 -0.90326 -1.09494 0.00000 -1.50627 0.00000
37 15D 0 -2.19741 1.02990 0.00000 -0.09347 0.00000
38 15D+1 0.00000 0.00000 -0.37187 0.00000 2.40431
39 15D-1 0.00000 0.00000 0.60574 0.00000 1.34298
40 15D+2 1.75871 3.14746 0.00000 -2.54978 0.00000
41 15D-2 0.42137 1.17136 0.00000 0.36893 0.00000
42 16F 0 0.00000 0.00000 -0.02255 0.00000 0.00483
43 16F+1 -0.04637 -0.00130 0.00000 -0.01376 0.00000
44 16F-1 -0.03295 0.04416 0.00000 0.01315 0.00000
45 16F+2 0.00000 0.00000 -0.03625 0.00000 0.01946
46 16F-2 0.00000 0.00000 0.04476 0.00000 -0.01443
47 16F+3 0.01352 -0.01438 0.00000 -0.01784 0.00000
48 16F-3 -0.07442 0.00543 0.00000 -0.03385 0.00000
49 17F 0 0.00000 0.00000 0.17556 0.00000 -0.06404
50 17F+1 0.37855 0.03369 0.00000 0.10096 0.00000
51 17F-1 0.18603 -0.27365 0.00000 -0.13268 0.00000
52 17F+2 0.00000 0.00000 0.26734 0.00000 -0.18159
53 17F-2 0.00000 0.00000 -0.28073 0.00000 0.07052
54 17F+3 -0.13861 0.11453 0.00000 0.08021 0.00000
55 17F-3 0.57747 0.04285 0.00000 0.26933 0.00000
56 18F 0 0.00000 0.00000 1.21076 0.00000 1.63661
57 18F+1 2.58817 0.10259 0.00000 0.99782 0.00000
58 18F-1 0.07930 -1.61152 0.00000 0.04509 0.00000
59 18F+2 0.00000 0.00000 2.00274 0.00000 0.09181
60 18F-2 0.00000 0.00000 -0.58884 0.00000 -0.49220
61 18F+3 0.32687 1.95023 0.00000 1.29796 0.00000
62 18F-3 2.19136 0.10664 0.00000 1.62151 0.00000
63 19G 0 0.01179 0.00352 0.00000 -0.00766 0.00000
64 19G+1 0.00000 0.00000 0.00108 0.00000 -0.00590
65 19G-1 0.00000 0.00000 0.02185 0.00000 0.00704
66 19G+2 -0.01274 0.00153 0.00000 -0.00548 0.00000
67 19G-2 -0.00667 0.01033 0.00000 0.00191 0.00000
68 19G+3 0.00000 0.00000 -0.00723 0.00000 -0.00119
69 19G-3 0.00000 0.00000 0.01751 0.00000 0.00696
70 19G+4 0.01539 0.01757 0.00000 0.00186 0.00000
71 19G-4 -0.00420 0.01133 0.00000 0.02454 0.00000
72 20G 0 -0.07195 0.02401 0.00000 0.08601 0.00000
73 20G+1 0.00000 0.00000 0.33992 0.00000 0.03060
74 20G-1 0.00000 0.00000 -0.14615 0.00000 0.02691
75 20G+2 0.04978 0.22788 0.00000 0.12833 0.00000
76 20G-2 0.52604 -0.11817 0.00000 0.09643 0.00000
77 20G+3 0.00000 0.00000 0.23452 0.00000 0.00863
78 20G-3 0.00000 0.00000 -0.07747 0.00000 -0.11687
79 20G+4 -0.18388 -0.29905 0.00000 -0.23369 0.00000
80 20G-4 -0.34127 -0.11469 0.00000 -0.34611 0.00000
81 21H 0 0.00000 0.00000 0.01561 0.00000 -0.01944
82 21H+1 -0.03134 0.00941 0.00000 0.00183 0.00000
83 21H-1 -0.00261 0.01166 0.00000 0.00237 0.00000
84 21H+2 0.00000 0.00000 0.02190 0.00000 -0.00317
85 21H-2 0.00000 0.00000 0.00404 0.00000 0.01530
86 21H+3 -0.00929 0.02282 0.00000 -0.01396 0.00000
87 21H-3 -0.00228 0.01372 0.00000 -0.01087 0.00000
88 21H+4 0.00000 0.00000 0.01761 0.00000 -0.00878
89 21H-4 0.00000 0.00000 0.00209 0.00000 -0.00115
90 21H+5 0.03035 0.02018 0.00000 0.02899 0.00000
91 21H-5 0.03206 0.02973 0.00000 0.00296 0.00000
92 2 S 1S 0.02227 -0.02196 0.00000 0.00290 0.00000
93 2S -0.06516 0.07873 0.00000 -0.01054 0.00000
94 3S 0.02473 0.03507 0.00000 -0.00312 0.00000
95 4S -1.01753 1.58229 0.00000 -0.24519 0.00000
96 5S 4.95949 -8.14118 0.00000 2.37641 0.00000
97 6S -5.11805 11.73560 0.00000 -6.09254 0.00000
98 7S -5.69414 10.07286 0.00000 -4.21348 0.00000
99 8PX 0.01028 0.00524 0.00000 0.03679 0.00000
100 8PY -0.01244 -0.01409 0.00000 -0.00440 0.00000
101 8PZ 0.00000 0.00000 0.02416 0.00000 0.01092
102 9PX -0.00784 -0.05460 0.00000 -0.08203 0.00000
103 9PY 0.01048 0.02944 0.00000 0.00981 0.00000
104 9PZ 0.00000 0.00000 -0.08067 0.00000 -0.02029
105 10PX 0.07828 -0.15448 0.00000 0.01489 0.00000
106 10PY -0.14021 0.06181 0.00000 -0.01451 0.00000
107 10PZ 0.00000 0.00000 -0.17017 0.00000 0.01139
108 11PX -0.37316 -1.51750 0.00000 -1.34766 0.00000
109 11PY 1.74862 -0.53371 0.00000 0.57115 0.00000
110 11PZ 0.00000 0.00000 -0.29258 0.00000 -0.15970
111 12PX 0.12552 8.18613 0.00000 1.10982 0.00000
112 12PY -7.37889 7.97878 0.00000 -5.88668 0.00000
113 12PZ 0.00000 0.00000 1.22099 0.00000 -0.72375
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115 13PY -1.04198 1.37226 0.00000 -1.12292 0.00000
116 13PZ 0.00000 0.00000 0.27937 0.00000 0.18199
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118 14D+1 0.00000 0.00000 -0.42237 0.00000 -2.22149
119 14D-1 0.00000 0.00000 2.27206 0.00000 1.03776
120 14D+2 3.51197 0.35297 0.00000 2.54578 0.00000
121 14D-2 1.77752 1.61991 0.00000 1.31610 0.00000
122 15D 0 0.07625 -0.44618 0.00000 0.51314 0.00000
123 15D+1 0.00000 0.00000 -0.27515 0.00000 -0.43575
124 15D-1 0.00000 0.00000 0.04052 0.00000 0.17888
125 15D+2 -0.33876 -0.20888 0.00000 -0.48359 0.00000
126 15D-2 -0.10092 -0.10788 0.00000 0.13188 0.00000
127 16D 0 -0.01889 -0.03127 0.00000 0.00582 0.00000
128 16D+1 0.00000 0.00000 -0.06768 0.00000 -0.18883
129 16D-1 0.00000 0.00000 -0.16965 0.00000 0.14653
130 16D+2 0.13344 -0.07536 0.00000 0.11975 0.00000
131 16D-2 -0.05318 -0.04712 0.00000 -0.06474 0.00000
132 17D 0 0.02039 -0.06680 0.00000 0.02556 0.00000
133 17D+1 0.00000 0.00000 -0.03324 0.00000 -0.06577
134 17D-1 0.00000 0.00000 -0.01539 0.00000 0.04406
135 17D+2 0.02518 -0.01095 0.00000 0.00625 0.00000
136 17D-2 -0.00646 -0.01482 0.00000 0.00013 0.00000
137 18F 0 0.00000 0.00000 -0.83995 0.00000 0.17980
138 18F+1 -0.22593 -1.56271 0.00000 -0.66841 0.00000
139 18F-1 1.29832 -0.35938 0.00000 0.24691 0.00000
140 18F+2 0.00000 0.00000 -1.77893 0.00000 -0.72654
141 18F-2 0.00000 0.00000 0.41844 0.00000 -0.84901
142 18F+3 -0.99650 0.24780 0.00000 -0.77259 0.00000
143 18F-3 2.11626 -0.30776 0.00000 0.00632 0.00000
144 19F 0 0.00000 0.00000 0.60139 0.00000 0.48281
145 19F+1 0.15044 -0.09099 0.00000 0.56023 0.00000
146 19F-1 0.14321 -0.48270 0.00000 0.11915 0.00000
147 19F+2 0.00000 0.00000 0.24126 0.00000 -1.35756
148 19F-2 0.00000 0.00000 -0.14336 0.00000 0.67720
149 19F+3 -0.08772 0.42218 0.00000 -0.25113 0.00000
150 19F-3 -0.13972 -0.99844 0.00000 0.76710 0.00000
151 20F 0 0.00000 0.00000 -0.06841 0.00000 -0.05611
152 20F+1 -0.01310 0.03759 0.00000 -0.04408 0.00000
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126 127 128 129 130
V V V V V
Eigenvalues -- 2.88457 2.94932 2.96838 2.98638 3.04672
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373 10D-2 0.00467 0.01157 0.00081 0.01038 0.00324
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377 11D+2 0.00347 0.13581 -0.05599 0.01124 0.01440
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380 12D+1 -0.06426 -0.87310 -0.06803 0.81051 -0.23341
381 12D-1 0.32664 0.37992 0.00860 1.08637 0.05705
382 12D+2 0.12154 0.21642 0.18897 0.17659 0.02676
383 12D-2 -0.10332 0.98767 0.13904 -0.00364 -0.01860
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386 13F-1 -0.00386 -0.00080 -0.00490 -0.00334 -0.00436
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388 13F-2 0.00241 0.00114 -0.00226 0.00082 -0.00381
389 13F+3 -0.00367 0.00156 0.00803 0.00865 0.00836
390 13F-3 -0.00376 0.00575 -0.00296 -0.00036 -0.00992
391 14F 0 0.01651 -0.11670 -0.03058 -0.01574 0.07268
392 14F+1 0.00925 -0.03706 -0.03922 -0.00705 -0.05135
393 14F-1 0.05541 0.01087 0.04915 0.07063 -0.03235
394 14F+2 0.03481 0.04351 -0.03229 -0.00006 0.02941
395 14F-2 -0.04219 0.06187 0.04267 -0.03974 0.06669
396 14F+3 0.00612 -0.05377 -0.04430 -0.07278 -0.05154
397 14F-3 0.02319 -0.08552 0.00697 0.00067 0.04775
398 15G 0 0.00203 -0.00835 -0.00185 0.00150 0.00128
399 15G+1 -0.00008 0.00247 -0.00035 -0.00036 -0.00314
400 15G-1 0.00341 0.00084 0.00094 0.00555 -0.00210
401 15G+2 0.00416 0.00219 0.00151 0.00190 -0.00043
402 15G-2 -0.00365 0.00178 0.00249 -0.00420 0.00380
403 15G+3 -0.00220 -0.00304 -0.00033 -0.00275 0.00200
404 15G-3 -0.00049 -0.00202 -0.00226 -0.00037 -0.00441
405 15G+4 0.00075 0.00058 -0.00029 0.00089 -0.00056
406 15G-4 0.00003 0.00273 0.00034 -0.00044 0.00078
131 132 133 134 135
V V V V V
Eigenvalues -- 3.07834 3.14362 3.21675 3.26846 3.29381
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12 8PZ 0.00000 -0.78477 0.00000 0.67610 0.00000
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14 9PY 3.23886 0.00000 1.04802 0.00000 0.02238
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29 13D-1 0.00000 -0.23726 0.00000 -0.03282 0.00000
30 13D+2 0.03842 0.00000 0.17211 0.00000 -0.25172
31 13D-2 0.09891 0.00000 -0.12638 0.00000 0.06393
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33 14D+1 0.00000 7.29703 0.00000 -9.03352 0.00000
34 14D-1 0.00000 6.96205 0.00000 -0.43408 0.00000
35 14D+2 -2.82543 0.00000 -5.51581 0.00000 4.95878
36 14D-2 0.54072 0.00000 4.12049 0.00000 -1.40162
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44 16F-1 -0.03891 0.00000 -0.06813 0.00000 0.01215
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48 16F-3 -0.02192 0.00000 0.04648 0.00000 -0.00633
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50 17F+1 0.51544 0.00000 0.10076 0.00000 0.37345
51 17F-1 0.58140 0.00000 0.80236 0.00000 -0.10096
52 17F+2 0.00000 0.09123 0.00000 -0.20558 0.00000
53 17F-2 0.00000 0.92823 0.00000 -0.56158 0.00000
54 17F+3 0.01954 0.00000 0.47356 0.00000 -0.13474
55 17F-3 0.14413 0.00000 -0.50723 0.00000 0.06920
56 18F 0 0.00000 -0.41192 0.00000 -0.82080 0.00000
57 18F+1 0.74693 0.00000 0.47056 0.00000 3.82745
58 18F-1 3.37074 0.00000 2.84790 0.00000 -0.72607
59 18F+2 0.00000 0.94683 0.00000 -0.47459 0.00000
60 18F-2 0.00000 3.29752 0.00000 -2.59267 0.00000
61 18F+3 -0.69103 0.00000 1.91464 0.00000 -0.93243
62 18F-3 0.05906 0.00000 -2.11051 0.00000 -0.72060
63 19G 0 -0.01093 0.00000 0.00224 0.00000 0.00134
64 19G+1 0.00000 -0.00383 0.00000 -0.01245 0.00000
65 19G-1 0.00000 0.02098 0.00000 0.00741 0.00000
66 19G+2 0.02234 0.00000 -0.00130 0.00000 0.01269
67 19G-2 0.02735 0.00000 0.01376 0.00000 -0.01943
68 19G+3 0.00000 -0.00237 0.00000 -0.01003 0.00000
69 19G-3 0.00000 0.01211 0.00000 0.00580 0.00000
70 19G+4 -0.00737 0.00000 -0.00889 0.00000 0.00559
71 19G-4 -0.00435 0.00000 0.01108 0.00000 0.00067
72 20G 0 -0.08570 0.00000 -0.15992 0.00000 0.28626
73 20G+1 0.00000 0.38734 0.00000 -0.17364 0.00000
74 20G-1 0.00000 0.20833 0.00000 -0.34494 0.00000
75 20G+2 -0.35780 0.00000 0.41768 0.00000 0.05194
76 20G-2 0.56626 0.00000 0.13957 0.00000 0.16156
77 20G+3 0.00000 -0.29615 0.00000 -0.13722 0.00000
78 20G-3 0.00000 0.34682 0.00000 -0.31383 0.00000
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80 20G-4 -0.01774 0.00000 0.44490 0.00000 -0.01802
81 21H 0 0.00000 -0.05230 0.00000 0.04222 0.00000
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85 21H-2 0.00000 0.05521 0.00000 -0.02747 0.00000
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87 21H-3 -0.00090 0.00000 0.02924 0.00000 0.01624
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91 21H-5 0.00999 0.00000 -0.04927 0.00000 0.02295
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93 2S 0.00276 0.00000 -0.01004 0.00000 -0.02120
94 3S -0.05153 0.00000 0.02592 0.00000 0.12354
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125 15D+2 -0.03686 0.00000 0.33477 0.00000 -0.09334
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135 17D+2 0.03091 0.00000 -0.01132 0.00000 -0.03284
136 17D-2 -0.00594 0.00000 -0.02873 0.00000 0.01247
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143 18F-3 -0.69412 0.00000 -0.61264 0.00000 -0.62180
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149 19F+3 -0.63393 0.00000 -0.04552 0.00000 -0.01912
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157 20F-3 -0.04872 0.00000 0.07635 0.00000 0.07164
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163 21G+3 0.00000 -0.66791 0.00000 -0.08371 0.00000
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166 21G-4 0.18635 0.00000 -1.05264 0.00000 0.41484
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266 11D-1 0.00000 -0.03262 0.00000 0.03431 0.00000
267 11D+2 0.01801 0.00000 0.40586 0.00000 -0.14192
268 11D-2 0.02362 0.00000 -0.23805 0.00000 0.13181
269 12D 0 -0.97028 0.00000 -1.30565 0.00000 0.83558
270 12D+1 0.00000 0.53190 0.00000 -2.71474 0.00000
271 12D-1 0.00000 0.39249 0.00000 0.17753 0.00000
272 12D+2 0.38044 0.00000 1.66244 0.00000 0.60906
273 12D-2 -1.56071 0.00000 -1.24909 0.00000 0.93946
274 13F 0 0.00000 0.01432 0.00000 0.01512 0.00000
275 13F+1 0.00401 0.00000 -0.02234 0.00000 0.00107
276 13F-1 -0.00317 0.00000 0.02370 0.00000 -0.00717
277 13F+2 0.00000 0.01320 0.00000 -0.00049 0.00000
278 13F-2 0.00000 -0.00794 0.00000 0.00114 0.00000
279 13F+3 -0.00570 0.00000 0.02439 0.00000 -0.01153
280 13F-3 0.00185 0.00000 -0.01496 0.00000 0.00401
281 14F 0 0.00000 -0.11456 0.00000 0.09648 0.00000
282 14F+1 -0.05197 0.00000 -0.03088 0.00000 0.04369
283 14F-1 0.06568 0.00000 -0.10442 0.00000 -0.00057
284 14F+2 0.00000 -0.06651 0.00000 -0.21071 0.00000
285 14F-2 0.00000 0.03923 0.00000 0.12004 0.00000
286 14F+3 -0.00696 0.00000 -0.00838 0.00000 0.16857
287 14F-3 -0.18252 0.00000 -0.08616 0.00000 0.11277
288 15G 0 0.00199 0.00000 0.00183 0.00000 -0.00092
289 15G+1 0.00000 -0.00500 0.00000 0.01630 0.00000
290 15G-1 0.00000 0.00138 0.00000 -0.00404 0.00000
291 15G+2 -0.00108 0.00000 -0.00187 0.00000 -0.00311
292 15G-2 0.00320 0.00000 -0.00066 0.00000 -0.00046
293 15G+3 0.00000 0.00074 0.00000 -0.01024 0.00000
294 15G-3 0.00000 -0.00367 0.00000 0.01005 0.00000
295 15G+4 -0.00704 0.00000 -0.00177 0.00000 0.01095
296 15G-4 -0.01355 0.00000 0.00058 0.00000 0.00256
297 5 H 1S 0.01439 0.01223 0.00737 -0.00928 0.00512
298 2S 0.53085 0.55698 0.36261 -0.39438 -0.15683
299 3S -9.16439 -12.83664 -9.32608 9.80656 -3.62040
300 4S 1.63876 -9.51967 -5.41254 7.07068 3.00569
301 5S 0.11267 0.60196 0.35241 -0.19273 -0.25563
302 6PX 0.00683 -0.00526 0.04200 0.03301 -0.00596
303 6PY -0.02238 -0.01732 0.01155 -0.02762 0.04842
304 6PZ -0.02601 0.03400 -0.01271 -0.00757 -0.01405
305 7PX -0.07532 0.00673 -0.26634 -0.17406 0.03427
306 7PY 0.11566 0.07894 -0.08983 0.17753 -0.27739
307 7PZ 0.10422 -0.25125 0.03513 0.08198 0.08630
308 8PX 2.32496 1.87217 3.58354 -0.21913 0.13613
309 8PY 0.00286 1.10987 2.04629 -2.52487 2.71764
310 8PZ 2.01105 6.00545 2.38505 -3.51603 0.07760
311 9PX 1.25501 2.01491 2.91559 1.03987 -0.59891
312 9PY -1.24604 1.10789 1.69915 -3.00230 1.66144
313 9PZ -0.67132 4.76640 0.88849 -2.46865 -2.09923
314 10D 0 0.02493 0.01767 0.01404 -0.00833 0.00837
315 10D+1 0.03174 0.00596 0.00543 -0.01302 -0.00117
316 10D-1 0.01210 0.00399 0.01156 -0.00838 0.00444
317 10D+2 0.00454 -0.00205 -0.00153 -0.01621 0.01152
318 10D-2 0.01861 0.00252 0.00703 -0.00472 0.00581
319 11D 0 -0.25088 -0.26078 -0.17096 0.15896 -0.06016
320 11D+1 -0.34066 -0.21539 -0.15883 0.19465 -0.02329
321 11D-1 -0.15264 -0.16094 -0.17995 0.17454 -0.07115
322 11D+2 -0.06137 -0.00313 0.00016 0.09946 -0.06739
323 11D-2 -0.16418 -0.08750 -0.11091 0.08371 -0.06560
324 12D 0 0.40292 -1.89724 0.96419 0.87563 1.25236
325 12D+1 -0.42464 -1.29188 -1.64391 -0.46561 0.25425
326 12D-1 0.73848 -0.81527 -0.87067 1.34185 -0.85375
327 12D+2 -0.93838 -0.14668 -0.55403 -1.25695 1.30102
328 12D-2 0.41313 -0.27261 -0.71675 0.43645 -0.41169
329 13F 0 -0.00114 0.00962 0.00050 -0.00451 0.00012
330 13F+1 0.01453 0.01808 0.01131 -0.01083 -0.00507
331 13F-1 0.00780 0.00934 0.00419 -0.01360 0.00377
332 13F+2 0.00281 0.00954 0.00467 0.00651 0.00487
333 13F-2 0.01076 0.01740 0.01776 -0.01148 0.00352
334 13F+3 -0.00564 -0.00501 0.00369 -0.00331 -0.00290
335 13F-3 0.00292 -0.01312 0.00023 -0.00387 -0.00154
336 14F 0 0.01379 0.11367 -0.17140 -0.04389 -0.13767
337 14F+1 0.07454 0.08990 0.03009 0.06149 -0.05685
338 14F-1 -0.04138 0.04732 0.03091 -0.12041 0.05398
339 14F+2 0.14347 -0.01460 0.04644 0.10638 -0.15998
340 14F-2 -0.00625 -0.04972 0.06982 -0.02770 0.08708
341 14F+3 0.07604 0.03281 -0.04354 0.08547 -0.06291
342 14F-3 0.03620 0.09461 0.07953 0.03282 0.03176
343 15G 0 0.00095 -0.00615 0.01169 0.00226 0.00698
344 15G+1 -0.00085 -0.00791 0.00538 -0.00165 0.00994
345 15G-1 0.00099 -0.00228 0.00689 0.00666 -0.00043
346 15G+2 -0.00742 -0.00301 -0.00496 -0.01225 0.01039
347 15G-2 0.00113 0.00206 -0.00408 0.00211 -0.00168
348 15G+3 -0.00515 -0.00182 0.00030 -0.00758 0.00880
349 15G-3 -0.00125 0.00065 -0.00691 -0.00366 -0.00072
350 15G+4 0.00062 -0.00095 0.00216 -0.00148 0.00276
351 15G-4 -0.00154 -0.00002 -0.00246 -0.00217 0.00029
352 6 H 1S 0.01439 -0.01223 0.00737 0.00928 0.00512
353 2S 0.53085 -0.55698 0.36261 0.39438 -0.15683
354 3S -9.16439 12.83664 -9.32608 -9.80656 -3.62040
355 4S 1.63876 9.51967 -5.41254 -7.07068 3.00569
356 5S 0.11267 -0.60196 0.35241 0.19273 -0.25563
357 6PX 0.00683 0.00526 0.04200 -0.03301 -0.00596
358 6PY -0.02238 0.01732 0.01155 0.02762 0.04842
359 6PZ 0.02601 0.03400 0.01271 -0.00757 0.01405
360 7PX -0.07532 -0.00673 -0.26634 0.17406 0.03427
361 7PY 0.11566 -0.07894 -0.08983 -0.17753 -0.27739
362 7PZ -0.10422 -0.25125 -0.03513 0.08198 -0.08630
363 8PX 2.32496 -1.87217 3.58354 0.21913 0.13613
364 8PY 0.00286 -1.10987 2.04629 2.52487 2.71764
365 8PZ -2.01105 6.00545 -2.38505 -3.51603 -0.07760
366 9PX 1.25501 -2.01491 2.91559 -1.03987 -0.59891
367 9PY -1.24604 -1.10789 1.69915 3.00230 1.66144
368 9PZ 0.67132 4.76640 -0.88849 -2.46865 2.09923
369 10D 0 0.02493 -0.01767 0.01404 0.00833 0.00837
370 10D+1 -0.03174 0.00596 -0.00543 -0.01302 0.00117
371 10D-1 -0.01210 0.00399 -0.01156 -0.00838 -0.00444
372 10D+2 0.00454 0.00205 -0.00153 0.01621 0.01152
373 10D-2 0.01861 -0.00252 0.00703 0.00472 0.00581
374 11D 0 -0.25088 0.26078 -0.17096 -0.15896 -0.06016
375 11D+1 0.34066 -0.21539 0.15883 0.19465 0.02329
376 11D-1 0.15264 -0.16094 0.17995 0.17454 0.07115
377 11D+2 -0.06137 0.00313 0.00016 -0.09946 -0.06739
378 11D-2 -0.16418 0.08750 -0.11091 -0.08371 -0.06560
379 12D 0 0.40292 1.89724 0.96419 -0.87563 1.25236
380 12D+1 0.42464 -1.29188 1.64391 -0.46561 -0.25425
381 12D-1 -0.73848 -0.81527 0.87067 1.34185 0.85375
382 12D+2 -0.93838 0.14668 -0.55403 1.25695 1.30102
383 12D-2 0.41313 0.27261 -0.71675 -0.43645 -0.41169
384 13F 0 0.00114 0.00962 -0.00050 -0.00451 -0.00012
385 13F+1 0.01453 -0.01808 0.01131 0.01083 -0.00507
386 13F-1 0.00780 -0.00934 0.00419 0.01360 0.00377
387 13F+2 -0.00281 0.00954 -0.00467 0.00651 -0.00487
388 13F-2 -0.01076 0.01740 -0.01776 -0.01148 -0.00352
389 13F+3 -0.00564 0.00501 0.00369 0.00331 -0.00290
390 13F-3 0.00292 0.01312 0.00023 0.00387 -0.00154
391 14F 0 -0.01379 0.11367 0.17140 -0.04389 0.13767
392 14F+1 0.07454 -0.08990 0.03009 -0.06149 -0.05685
393 14F-1 -0.04138 -0.04732 0.03091 0.12041 0.05398
394 14F+2 -0.14347 -0.01460 -0.04644 0.10638 0.15998
395 14F-2 0.00625 -0.04972 -0.06982 -0.02770 -0.08708
396 14F+3 0.07604 -0.03281 -0.04354 -0.08547 -0.06291
397 14F-3 0.03620 -0.09461 0.07953 -0.03282 0.03176
398 15G 0 0.00095 0.00615 0.01169 -0.00226 0.00698
399 15G+1 0.00085 -0.00791 -0.00538 -0.00165 -0.00994
400 15G-1 -0.00099 -0.00228 -0.00689 0.00666 0.00043
401 15G+2 -0.00742 0.00301 -0.00496 0.01225 0.01039
402 15G-2 0.00113 -0.00206 -0.00408 -0.00211 -0.00168
403 15G+3 0.00515 -0.00182 -0.00030 -0.00758 -0.00880
404 15G-3 0.00125 0.00065 0.00691 -0.00366 0.00072
405 15G+4 0.00062 0.00095 0.00216 0.00148 0.00276
406 15G-4 -0.00154 0.00002 -0.00246 0.00217 0.00029
136 137 138 139 140
V V V V V
Eigenvalues -- 3.35056 3.39931 3.50469 3.55045 3.59398
1 1 C 1S 0.00159 -0.00099 0.00000 -0.00305 0.00000
2 2S -0.05330 0.02412 0.00000 -0.00937 0.00000
3 3S -0.37246 0.21952 0.00000 -0.09554 0.00000
4 4S -0.12493 -1.61855 0.00000 0.61112 0.00000
5 5S -0.12298 5.88409 0.00000 -1.19647 0.00000
6 6S -2.00091 0.44651 0.00000 -2.07958 0.00000
7 7PX 0.00551 -0.01227 0.00000 0.04548 0.00000
8 7PY -0.07900 0.06912 0.00000 0.00644 0.00000
9 7PZ 0.00000 0.00000 0.07283 0.00000 0.00885
10 8PX -0.07632 -0.77626 0.00000 0.43579 0.00000
11 8PY -1.24847 0.81041 0.00000 0.01538 0.00000
12 8PZ 0.00000 0.00000 0.25004 0.00000 -2.23613
13 9PX 1.91671 7.70045 0.00000 -6.28099 0.00000
14 9PY 5.73386 -3.03120 0.00000 -0.44758 0.00000
15 9PZ 0.00000 0.00000 -3.52719 0.00000 20.54082
16 10PX 0.62494 2.36323 0.00000 7.04183 0.00000
17 10PY -4.34025 -0.82922 0.00000 1.18447 0.00000
18 10PZ 0.00000 0.00000 9.60644 0.00000 14.73197
19 11PX -0.12474 -0.52782 0.00000 0.40005 0.00000
20 11PY 0.06886 -0.00971 0.00000 0.33738 0.00000
21 11PZ 0.00000 0.00000 0.28667 0.00000 0.05128
22 12D 0 -0.03509 -0.02350 0.00000 0.01047 0.00000
23 12D+1 0.00000 0.00000 0.00668 0.00000 -0.06415
24 12D-1 0.00000 0.00000 0.00494 0.00000 -0.04311
25 12D+2 -0.00713 0.04009 0.00000 -0.00254 0.00000
26 12D-2 0.01108 0.01761 0.00000 0.00292 0.00000
27 13D 0 0.09352 -0.02232 0.00000 -0.07216 0.00000
28 13D+1 0.00000 0.00000 -0.12153 0.00000 -0.05637
29 13D-1 0.00000 0.00000 -0.04850 0.00000 0.18608
30 13D+2 0.03129 -0.09442 0.00000 0.00643 0.00000
31 13D-2 0.00890 -0.01666 0.00000 0.01647 0.00000
32 14D 0 -0.74579 1.08305 0.00000 -3.61517 0.00000
33 14D+1 0.00000 0.00000 -2.69680 0.00000 7.58294
34 14D-1 0.00000 0.00000 -1.84715 0.00000 7.48740
35 14D+2 1.69288 -0.57273 0.00000 2.77819 0.00000
36 14D-2 2.03510 4.58767 0.00000 -2.73616 0.00000
37 15D 0 -2.80198 -1.13784 0.00000 1.28482 0.00000
38 15D+1 0.00000 0.00000 1.54806 0.00000 2.25126
39 15D-1 0.00000 0.00000 -0.46036 0.00000 4.51491
40 15D+2 -0.59605 0.99389 0.00000 -0.13078 0.00000
41 15D-2 2.48191 4.10395 0.00000 -1.55340 0.00000
42 16F 0 0.00000 0.00000 -0.02835 0.00000 -0.00867
43 16F+1 0.01688 -0.02446 0.00000 -0.00863 0.00000
44 16F-1 0.01395 -0.03162 0.00000 0.00116 0.00000
45 16F+2 0.00000 0.00000 -0.03609 0.00000 -0.01007
46 16F-2 0.00000 0.00000 -0.03220 0.00000 -0.05857
47 16F+3 -0.00761 0.00544 0.00000 -0.03360 0.00000
48 16F-3 0.01369 -0.00909 0.00000 -0.00162 0.00000
49 17F 0 0.00000 0.00000 0.17361 0.00000 0.26889
50 17F+1 0.27021 0.01722 0.00000 0.11346 0.00000
51 17F-1 0.11885 0.34913 0.00000 -0.27531 0.00000
52 17F+2 0.00000 0.00000 0.28256 0.00000 0.25704
53 17F-2 0.00000 0.00000 -0.07121 0.00000 1.03820
54 17F+3 -0.10460 0.06586 0.00000 0.15967 0.00000
55 17F-3 0.03706 -0.12466 0.00000 0.25773 0.00000
56 18F 0 0.00000 0.00000 -0.28191 0.00000 0.14822
57 18F+1 1.21400 0.47633 0.00000 0.03047 0.00000
58 18F-1 0.40739 0.56112 0.00000 -1.94087 0.00000
59 18F+2 0.00000 0.00000 -0.10457 0.00000 0.28415
60 18F-2 0.00000 0.00000 -1.89010 0.00000 2.40825
61 18F+3 -0.50311 0.04253 0.00000 -0.79016 0.00000
62 18F-3 0.49327 -1.27946 0.00000 1.07853 0.00000
63 19G 0 -0.01292 0.00041 0.00000 0.01775 0.00000
64 19G+1 0.00000 0.00000 -0.04416 0.00000 0.06202
65 19G-1 0.00000 0.00000 -0.02732 0.00000 0.02369
66 19G+2 -0.02587 0.03872 0.00000 -0.03290 0.00000
67 19G-2 0.05080 -0.00836 0.00000 -0.01845 0.00000
68 19G+3 0.00000 0.00000 0.00626 0.00000 0.00687
69 19G-3 0.00000 0.00000 -0.02458 0.00000 0.01300
70 19G+4 -0.02563 0.00562 0.00000 0.03405 0.00000
71 19G-4 -0.00643 0.03570 0.00000 -0.04235 0.00000
72 20G 0 -0.08823 -0.30053 0.00000 -0.14829 0.00000
73 20G+1 0.00000 0.00000 0.84036 0.00000 0.64821
74 20G-1 0.00000 0.00000 0.15738 0.00000 0.62621
75 20G+2 0.17100 -0.03980 0.00000 0.60580 0.00000
76 20G-2 -0.02362 0.08774 0.00000 0.14053 0.00000
77 20G+3 0.00000 0.00000 0.11192 0.00000 -0.36321
78 20G-3 0.00000 0.00000 0.21722 0.00000 0.58149
79 20G+4 0.21044 0.02816 0.00000 -0.45541 0.00000
80 20G-4 0.00106 0.09302 0.00000 0.10120 0.00000
81 21H 0 0.00000 0.00000 0.03783 0.00000 -0.04890
82 21H+1 -0.01066 0.00344 0.00000 -0.00938 0.00000
83 21H-1 -0.01863 -0.00256 0.00000 -0.04371 0.00000
84 21H+2 0.00000 0.00000 0.02468 0.00000 0.04113
85 21H-2 0.00000 0.00000 0.05385 0.00000 0.08956
86 21H+3 0.00806 -0.01619 0.00000 0.03307 0.00000
87 21H-3 0.01591 0.02213 0.00000 0.04828 0.00000
88 21H+4 0.00000 0.00000 0.04600 0.00000 -0.02902
89 21H-4 0.00000 0.00000 -0.04209 0.00000 0.03167
90 21H+5 -0.02920 -0.03859 0.00000 0.05768 0.00000
91 21H-5 0.00480 -0.01318 0.00000 0.02689 0.00000
92 2 S 1S 0.00708 0.00048 0.00000 -0.00877 0.00000
93 2S 0.01110 -0.01646 0.00000 0.00346 0.00000
94 3S 0.11650 -0.04417 0.00000 -0.06789 0.00000
95 4S 0.55010 -0.36318 0.00000 0.11084 0.00000
96 5S -2.28388 1.39421 0.00000 -1.93391 0.00000
97 6S 2.03576 -0.89492 0.00000 4.58709 0.00000
98 7S 3.00017 -2.75862 0.00000 2.80978 0.00000
99 8PX -0.00959 0.01022 0.00000 -0.02858 0.00000
100 8PY -0.01154 0.01339 0.00000 -0.02910 0.00000
101 8PZ 0.00000 0.00000 -0.01624 0.00000 0.02121
102 9PX 0.01065 -0.01150 0.00000 0.09311 0.00000
103 9PY 0.06942 -0.07780 0.00000 0.12408 0.00000
104 9PZ 0.00000 0.00000 0.08137 0.00000 -0.09721
105 10PX -0.03692 0.09361 0.00000 0.20215 0.00000
106 10PY 0.34832 -0.37664 0.00000 0.39322 0.00000
107 10PZ 0.00000 0.00000 0.25679 0.00000 -0.33718
108 11PX -0.37281 -1.02059 0.00000 0.24395 0.00000
109 11PY -1.05813 1.71043 0.00000 -0.25686 0.00000
110 11PZ 0.00000 0.00000 0.10902 0.00000 0.28858
111 12PX 6.15314 2.35888 0.00000 1.30411 0.00000
112 12PY -1.43873 -5.29901 0.00000 1.13521 0.00000
113 12PZ 0.00000 0.00000 -1.70443 0.00000 0.19233
114 13PX 0.30785 -0.12012 0.00000 -0.17785 0.00000
115 13PY 0.57283 -0.50561 0.00000 0.07574 0.00000
116 13PZ 0.00000 0.00000 -0.38572 0.00000 0.01186
117 14D 0 -1.63335 1.44768 0.00000 -1.00024 0.00000
118 14D+1 0.00000 0.00000 -0.53690 0.00000 -0.01005
119 14D-1 0.00000 0.00000 -2.00430 0.00000 -0.08626
120 14D+2 0.70569 1.92238 0.00000 1.35528 0.00000
121 14D-2 0.11428 0.08626 0.00000 -2.74893 0.00000
122 15D 0 0.12045 -0.31016 0.00000 -1.02244 0.00000
123 15D+1 0.00000 0.00000 0.20831 0.00000 -0.09975
124 15D-1 0.00000 0.00000 0.58513 0.00000 0.85282
125 15D+2 1.00443 -0.77410 0.00000 0.22469 0.00000
126 15D-2 -0.47750 -0.39404 0.00000 0.57529 0.00000
127 16D 0 -0.25764 0.24964 0.00000 0.61313 0.00000
128 16D+1 0.00000 0.00000 -0.14074 0.00000 0.06546
129 16D-1 0.00000 0.00000 -0.48154 0.00000 -0.70138
130 16D+2 -0.37291 0.14334 0.00000 -0.04029 0.00000
131 16D-2 0.12805 -0.03717 0.00000 -0.43597 0.00000
132 17D 0 -0.05117 0.02910 0.00000 0.02467 0.00000
133 17D+1 0.00000 0.00000 -0.00768 0.00000 0.00354
134 17D-1 0.00000 0.00000 -0.05057 0.00000 -0.06614
135 17D+2 -0.02682 0.01105 0.00000 0.00944 0.00000
136 17D-2 -0.00680 -0.03048 0.00000 -0.04242 0.00000
137 18F 0 0.00000 0.00000 0.62316 0.00000 0.00571
138 18F+1 -0.77295 -0.23103 0.00000 -0.14447 0.00000
139 18F-1 -0.22873 1.13948 0.00000 -0.26185 0.00000
140 18F+2 0.00000 0.00000 0.62368 0.00000 -0.07170
141 18F-2 0.00000 0.00000 -0.48277 0.00000 0.06753
142 18F+3 0.21259 -0.61891 0.00000 1.75103 0.00000
143 18F-3 -1.28986 -0.21362 0.00000 0.05536 0.00000
144 19F 0 0.00000 0.00000 0.01831 0.00000 0.08842
145 19F+1 -0.29236 -0.01598 0.00000 -0.04258 0.00000
146 19F-1 0.01461 0.24464 0.00000 -0.06716 0.00000
147 19F+2 0.00000 0.00000 0.10142 0.00000 -0.04758
148 19F-2 0.00000 0.00000 0.05363 0.00000 0.07272
149 19F+3 -0.14643 -0.84197 0.00000 0.33014 0.00000
150 19F-3 -0.71047 -0.73159 0.00000 -0.09877 0.00000
151 20F 0 0.00000 0.00000 -0.04275 0.00000 -0.06683
152 20F+1 0.01736 0.00831 0.00000 0.01634 0.00000
153 20F-1 0.05579 -0.06927 0.00000 0.00469 0.00000
154 20F+2 0.00000 0.00000 -0.05494 0.00000 -0.08124
155 20F-2 0.00000 0.00000 0.00353 0.00000 -0.00889
156 20F+3 0.00331 0.05537 0.00000 -0.10979 0.00000
157 20F-3 0.13099 0.02516 0.00000 0.01035 0.00000
158 21G 0 0.34788 -0.22260 0.00000 0.12357 0.00000
159 21G+1 0.00000 0.00000 0.12383 0.00000 0.04221
160 21G-1 0.00000 0.00000 0.26233 0.00000 0.01694
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162 21G-2 -0.09044 0.24535 0.00000 0.15421 0.00000
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327 12D+2 0.20651 0.22532 0.04773 0.46664 -0.56961
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331 13F-1 -0.00484 0.00825 0.00397 0.00474 0.01994
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333 13F-2 0.00382 0.00278 0.02279 0.00478 0.00794
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336 14F 0 0.07576 -0.00063 -0.25172 0.05678 0.08720
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339 14F+2 0.00170 -0.03656 -0.14613 -0.21721 0.02037
340 14F-2 0.00766 -0.03348 -0.13135 -0.08814 0.23339
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347 15G-2 -0.00253 0.00055 0.00006 -0.00025 -0.01186
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351 15G-4 -0.00042 0.00068 0.00404 0.00113 0.00029
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353 2S 0.12270 0.22506 -0.19648 0.01278 -1.17739
354 3S -3.17895 -3.63121 -2.54614 3.04490 18.09299
355 4S 2.40429 -1.75708 6.66082 -1.62833 12.59097
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358 6PY -0.01500 -0.00114 0.01589 -0.00802 0.01224
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378 11D-2 -0.11541 -0.00491 0.03833 0.04197 0.28347
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382 12D+2 0.20651 0.22532 -0.04773 0.46664 0.56961
383 12D-2 0.51133 0.07817 -0.06731 0.06582 0.46859
384 13F 0 -0.00579 -0.00826 0.01074 -0.00395 0.00238
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388 13F-2 -0.00382 -0.00278 0.02279 -0.00478 0.00794
389 13F+3 0.01011 -0.00893 -0.00265 0.00388 -0.01105
390 13F-3 -0.00958 0.00955 0.00440 -0.01154 -0.02372
391 14F 0 -0.07576 0.00063 -0.25172 -0.05678 0.08720
392 14F+1 0.16221 -0.00769 0.15176 -0.11508 -0.13459
393 14F-1 0.14598 -0.00737 0.08121 0.01007 -0.14504
394 14F+2 -0.00170 0.03656 -0.14613 0.21721 0.02037
395 14F-2 -0.00766 0.03348 -0.13135 0.08814 0.23339
396 14F+3 -0.06687 0.06474 0.07542 -0.07487 0.13269
397 14F-3 0.05272 -0.09356 -0.00546 0.01364 0.09541
398 15G 0 -0.00480 -0.00275 -0.00313 -0.00319 -0.00141
399 15G+1 0.01109 -0.00080 0.00517 -0.00061 -0.00664
400 15G-1 0.00652 0.00324 0.00602 0.00096 -0.00639
401 15G+2 -0.00361 0.00447 -0.00166 0.00823 0.00019
402 15G-2 -0.00253 0.00055 -0.00006 -0.00025 0.01186
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404 15G-3 -0.00060 -0.00378 0.00376 -0.00324 -0.00585
405 15G+4 -0.00122 -0.00006 -0.00027 -0.00195 -0.00111
406 15G-4 -0.00042 0.00068 -0.00404 0.00113 -0.00029
141 142 143 144 145
V V V V V
Eigenvalues -- 3.69784 3.73683 3.74467 3.76610 3.76671
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2 2S 0.01823 0.00000 0.00766 0.00000 -0.00632
3 3S 0.32201 0.00000 -0.26727 0.00000 -0.12773
4 4S -1.13897 0.00000 1.71331 0.00000 0.80788
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6 6S -0.18680 0.00000 -0.22129 0.00000 0.24825
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11 8PY 0.26591 0.00000 -0.60886 0.00000 -0.53721
12 8PZ 0.00000 -0.88793 0.00000 -0.38640 0.00000
13 9PX 11.87996 0.00000 7.21941 0.00000 23.91104
14 9PY -1.25732 0.00000 3.50875 0.00000 3.22325
15 9PZ 0.00000 8.89300 0.00000 4.38002 0.00000
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31 13D-2 -0.05334 0.00000 0.09884 0.00000 0.10195
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36 14D-2 3.53181 0.00000 1.85966 0.00000 6.31913
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45 16F+2 0.00000 0.02974 0.00000 -0.04149 0.00000
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48 16F-3 0.03465 0.00000 0.01660 0.00000 0.04838
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51 17F-1 0.60396 0.00000 0.42475 0.00000 0.85722
52 17F+2 0.00000 -0.29067 0.00000 0.43454 0.00000
53 17F-2 0.00000 0.49601 0.00000 0.29093 0.00000
54 17F+3 0.67892 0.00000 0.30744 0.00000 0.58623
55 17F-3 -0.47911 0.00000 -0.20826 0.00000 -0.71675
56 18F 0 0.00000 1.88030 0.00000 -0.84627 0.00000
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381 12D-1 0.23886 -0.48244 -0.00613 -0.35409 0.80157
382 12D+2 0.36079 0.26758 -0.36089 -0.28418 0.07408
383 12D-2 -0.08468 0.43080 -0.15849 0.05212 -0.34354
384 13F 0 0.00468 0.00737 -0.00221 -0.00516 -0.00494
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386 13F-1 0.01635 -0.01330 0.00624 0.00857 0.00365
387 13F+2 -0.00484 -0.00662 -0.01812 0.01866 -0.00227
388 13F-2 -0.00213 -0.00199 -0.00814 0.01018 -0.00119
389 13F+3 0.00234 -0.00863 -0.02627 0.01777 -0.01133
390 13F-3 0.01372 0.00240 -0.01515 0.00840 0.00706
391 14F 0 -0.17635 -0.31073 -0.00285 0.34061 -0.03677
392 14F+1 -0.04481 -0.10005 0.18211 -0.04631 0.13197
393 14F-1 0.01584 0.04334 -0.02328 -0.15056 0.20077
394 14F+2 0.12231 0.24045 -0.04398 -0.27392 0.01471
395 14F-2 0.01798 0.19255 -0.03000 -0.06792 -0.18239
396 14F+3 -0.03672 0.00796 0.22767 -0.03471 0.04903
397 14F-3 -0.14967 -0.09689 0.18458 -0.01186 -0.01337
398 15G 0 -0.00321 -0.01800 0.00006 0.01421 0.00007
399 15G+1 0.00282 -0.00065 0.00314 -0.00774 0.00868
400 15G-1 0.00444 0.00100 0.00344 -0.00152 0.00483
401 15G+2 0.00388 0.00347 -0.00742 -0.00341 -0.00133
402 15G-2 -0.00045 0.00609 -0.00467 0.00156 -0.00927
403 15G+3 -0.00275 -0.00614 0.00272 0.01158 -0.00486
404 15G-3 -0.00602 -0.00233 0.00542 0.00096 0.00287
405 15G+4 -0.00098 0.00449 0.00096 -0.00498 0.00237
406 15G-4 0.00157 0.00430 -0.00253 -0.00535 -0.00146
146 147 148 149 150
V V V V V
Eigenvalues -- 3.80025 3.83472 3.85392 3.87259 3.94926
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13 9PX 2.55484 0.00000 -10.96299 0.00000 7.27984
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31 13D-2 -0.01865 0.00000 0.04862 0.00000 -0.06102
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36 14D-2 0.57999 0.00000 -2.63060 0.00000 1.07493
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51 17F-1 0.12518 0.00000 -0.39916 0.00000 0.08439
52 17F+2 0.00000 0.49790 0.00000 -0.10303 0.00000
53 17F-2 0.00000 1.30304 0.00000 0.80525 0.00000
54 17F+3 0.05901 0.00000 -0.44896 0.00000 0.36711
55 17F-3 -0.05127 0.00000 0.30657 0.00000 -0.28063
56 18F 0 0.00000 0.76702 0.00000 -0.17482 0.00000
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60 18F-2 0.00000 0.47671 0.00000 0.48214 0.00000
61 18F+3 -0.20259 0.00000 -1.56126 0.00000 1.83542
62 18F-3 1.64722 0.00000 1.97314 0.00000 0.09597
63 19G 0 -0.00586 0.00000 0.00160 0.00000 0.00570
64 19G+1 0.00000 0.04190 0.00000 0.05049 0.00000
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69 19G-3 0.00000 0.02876 0.00000 -0.00846 0.00000
70 19G+4 -0.02641 0.00000 -0.00933 0.00000 0.01728
71 19G-4 0.04183 0.00000 -0.02537 0.00000 0.03261
72 20G 0 -0.11775 0.00000 0.19063 0.00000 -0.67096
73 20G+1 0.00000 1.38310 0.00000 -0.44300 0.00000
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75 20G+2 0.21109 0.00000 -0.70855 0.00000 0.04299
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80 20G-4 -0.46241 0.00000 -0.57646 0.00000 -0.12070
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94 3S 0.01957 0.00000 0.14930 0.00000 0.10321
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273 12D-2 -0.49328 0.00000 0.63917 0.00000 -1.17848
274 13F 0 0.00000 0.00554 0.00000 -0.02675 0.00000
275 13F+1 0.00252 0.00000 0.03381 0.00000 0.00844
276 13F-1 0.01432 0.00000 -0.00199 0.00000 0.00267
277 13F+2 0.00000 0.00702 0.00000 -0.01264 0.00000
278 13F-2 0.00000 -0.01081 0.00000 0.00243 0.00000
279 13F+3 0.00371 0.00000 -0.00384 0.00000 0.02597
280 13F-3 0.00854 0.00000 0.00593 0.00000 -0.00599
281 14F 0 0.00000 0.16577 0.00000 0.12182 0.00000
282 14F+1 -0.05275 0.00000 0.02746 0.00000 -0.21824
283 14F-1 -0.04689 0.00000 -0.02249 0.00000 0.10210
284 14F+2 0.00000 -0.27993 0.00000 0.16487 0.00000
285 14F-2 0.00000 0.19889 0.00000 -0.07487 0.00000
286 14F+3 -0.13167 0.00000 -0.28677 0.00000 -0.32186
287 14F-3 -0.15277 0.00000 0.09080 0.00000 -0.31551
288 15G 0 0.00310 0.00000 -0.00850 0.00000 0.00264
289 15G+1 0.00000 0.01279 0.00000 -0.00615 0.00000
290 15G-1 0.00000 -0.00481 0.00000 0.00205 0.00000
291 15G+2 -0.00023 0.00000 0.01167 0.00000 -0.00217
292 15G-2 0.00757 0.00000 -0.00069 0.00000 0.00456
293 15G+3 0.00000 -0.01021 0.00000 -0.00241 0.00000
294 15G-3 0.00000 0.00494 0.00000 -0.00214 0.00000
295 15G+4 -0.00358 0.00000 -0.00736 0.00000 -0.01342
296 15G-4 -0.00094 0.00000 0.00280 0.00000 -0.01014
297 5 H 1S 0.01279 0.02232 0.00491 -0.00157 0.00082
298 2S 0.28079 1.62785 -0.08397 0.69915 0.06451
299 3S -7.00517 -19.11017 -0.77350 -6.63984 1.05992
300 4S -2.31378 -18.89385 1.63415 -5.80526 -3.81387
301 5S -0.15044 0.83920 -0.40357 0.27247 0.12519
302 6PX -0.00904 -0.00834 0.00387 -0.00051 -0.00284
303 6PY -0.00760 -0.00406 -0.00796 0.00465 0.00093
304 6PZ -0.01100 -0.03643 -0.00599 -0.00602 0.00005
305 7PX 0.06123 -0.01184 -0.00189 -0.02840 0.01324
306 7PY 0.05525 -0.02346 0.09187 -0.01711 0.01640
307 7PZ 0.07299 0.10772 0.07856 -0.03525 -0.02573
308 8PX 0.73827 3.94667 0.39441 1.72022 -0.16460
309 8PY 0.75350 3.61739 -1.21702 0.09068 -0.56048
310 8PZ 1.97344 5.94497 -0.07544 2.75986 0.71737
311 9PX 0.33420 3.78576 0.44552 1.76087 0.47173
312 9PY 0.38191 4.00739 -0.87766 0.26977 0.25147
313 9PZ 1.39034 6.22045 -0.49134 2.48974 1.55539
314 10D 0 0.00799 0.04003 -0.00075 0.03640 0.01949
315 10D+1 -0.00169 0.04329 -0.00893 0.03083 0.00374
316 10D-1 0.00091 0.03821 -0.02777 -0.01504 -0.01182
317 10D+2 0.00771 0.01250 0.01063 0.01223 0.02434
318 10D-2 0.00546 0.01828 -0.01393 -0.01393 -0.00722
319 11D 0 -0.13483 -0.47165 -0.01287 -0.33258 -0.17705
320 11D+1 -0.08531 -0.57628 0.02783 -0.28515 -0.03953
321 11D-1 -0.07722 -0.48896 0.20112 0.03449 0.08929
322 11D+2 -0.04453 -0.09262 -0.08439 -0.10275 -0.13954
323 11D-2 -0.06326 -0.26309 0.09481 0.04892 0.06825
324 12D 0 -0.36403 -0.42152 -0.00662 -0.63910 -0.68678
325 12D+1 -0.16914 -1.54142 -0.21498 -0.91407 -0.09446
326 12D-1 -0.20204 -1.48511 0.62340 -0.05621 -0.15997
327 12D+2 0.04754 0.04513 -0.60048 -0.51534 -0.12488
328 12D-2 0.02983 -0.90288 0.19285 -0.03106 0.03337
329 13F 0 -0.00148 0.00386 -0.00521 0.00253 0.00750
330 13F+1 0.01567 0.02771 0.00606 -0.00019 0.00718
331 13F-1 -0.00192 0.01748 0.00319 0.02285 -0.01761
332 13F+2 -0.00799 0.00596 -0.00174 -0.00620 -0.01462
333 13F-2 0.00071 0.00819 -0.00124 0.00412 0.02412
334 13F+3 0.00489 -0.01304 -0.01129 -0.01365 0.00071
335 13F-3 0.00058 0.00322 -0.00492 0.02248 -0.03107
336 14F 0 0.05957 -0.02984 0.09539 0.15487 0.10856
337 14F+1 -0.03271 0.18441 -0.00928 0.20536 0.07470
338 14F-1 0.05534 0.17494 -0.15491 -0.10624 0.14127
339 14F+2 0.05336 0.01982 0.15387 0.23960 0.16816
340 14F-2 0.01284 0.31614 -0.10320 -0.01818 -0.25498
341 14F+3 -0.04568 0.02407 0.15436 0.19815 0.05330
342 14F-3 -0.00334 0.07381 0.04378 -0.10751 0.19040
343 15G 0 0.00187 0.00753 -0.00125 -0.00510 -0.00339
344 15G+1 -0.00519 -0.00729 -0.00410 -0.00365 -0.00980
345 15G-1 0.00059 -0.00445 0.00120 -0.00550 -0.00136
346 15G+2 0.00117 -0.00439 -0.00662 -0.00852 -0.00271
347 15G-2 0.00212 -0.01617 0.00700 -0.00039 -0.00083
348 15G+3 0.00151 0.00616 -0.00521 -0.01037 -0.00227
349 15G-3 0.00126 -0.00848 -0.00130 -0.00670 0.00471
350 15G+4 0.00205 0.00151 0.00082 -0.00252 -0.00523
351 15G-4 -0.00108 0.00142 -0.00086 -0.00647 0.00092
352 6 H 1S 0.01279 -0.02232 0.00491 0.00157 0.00082
353 2S 0.28079 -1.62785 -0.08397 -0.69915 0.06451
354 3S -7.00517 19.11017 -0.77350 6.63984 1.05992
355 4S -2.31378 18.89385 1.63415 5.80526 -3.81387
356 5S -0.15044 -0.83920 -0.40357 -0.27247 0.12519
357 6PX -0.00904 0.00834 0.00387 0.00051 -0.00284
358 6PY -0.00760 0.00406 -0.00796 -0.00465 0.00093
359 6PZ 0.01100 -0.03643 0.00599 -0.00602 -0.00005
360 7PX 0.06123 0.01184 -0.00189 0.02840 0.01324
361 7PY 0.05525 0.02346 0.09187 0.01711 0.01640
362 7PZ -0.07299 0.10772 -0.07856 -0.03525 0.02573
363 8PX 0.73827 -3.94667 0.39441 -1.72022 -0.16460
364 8PY 0.75350 -3.61739 -1.21702 -0.09068 -0.56048
365 8PZ -1.97344 5.94497 0.07544 2.75986 -0.71737
366 9PX 0.33420 -3.78576 0.44552 -1.76087 0.47173
367 9PY 0.38191 -4.00739 -0.87766 -0.26977 0.25147
368 9PZ -1.39034 6.22045 0.49134 2.48974 -1.55539
369 10D 0 0.00799 -0.04003 -0.00075 -0.03640 0.01949
370 10D+1 0.00169 0.04329 0.00893 0.03083 -0.00374
371 10D-1 -0.00091 0.03821 0.02777 -0.01504 0.01182
372 10D+2 0.00771 -0.01250 0.01063 -0.01223 0.02434
373 10D-2 0.00546 -0.01828 -0.01393 0.01393 -0.00722
374 11D 0 -0.13483 0.47165 -0.01287 0.33258 -0.17705
375 11D+1 0.08531 -0.57628 -0.02783 -0.28515 0.03953
376 11D-1 0.07722 -0.48896 -0.20112 0.03449 -0.08929
377 11D+2 -0.04453 0.09262 -0.08439 0.10275 -0.13954
378 11D-2 -0.06326 0.26309 0.09481 -0.04892 0.06825
379 12D 0 -0.36403 0.42152 -0.00662 0.63910 -0.68678
380 12D+1 0.16914 -1.54142 0.21498 -0.91407 0.09446
381 12D-1 0.20204 -1.48511 -0.62340 -0.05621 0.15997
382 12D+2 0.04754 -0.04513 -0.60048 0.51534 -0.12488
383 12D-2 0.02983 0.90288 0.19285 0.03106 0.03337
384 13F 0 0.00148 0.00386 0.00521 0.00253 -0.00750
385 13F+1 0.01567 -0.02771 0.00606 0.00019 0.00718
386 13F-1 -0.00192 -0.01748 0.00319 -0.02285 -0.01761
387 13F+2 0.00799 0.00596 0.00174 -0.00620 0.01462
388 13F-2 -0.00071 0.00819 0.00124 0.00412 -0.02412
389 13F+3 0.00489 0.01304 -0.01129 0.01365 0.00071
390 13F-3 0.00058 -0.00322 -0.00492 -0.02248 -0.03107
391 14F 0 -0.05957 -0.02984 -0.09539 0.15487 -0.10856
392 14F+1 -0.03271 -0.18441 -0.00928 -0.20536 0.07470
393 14F-1 0.05534 -0.17494 -0.15491 0.10624 0.14127
394 14F+2 -0.05336 0.01982 -0.15387 0.23960 -0.16816
395 14F-2 -0.01284 0.31614 0.10320 -0.01818 0.25498
396 14F+3 -0.04568 -0.02407 0.15436 -0.19815 0.05330
397 14F-3 -0.00334 -0.07381 0.04378 0.10751 0.19040
398 15G 0 0.00187 -0.00753 -0.00125 0.00510 -0.00339
399 15G+1 0.00519 -0.00729 0.00410 -0.00365 0.00980
400 15G-1 -0.00059 -0.00445 -0.00120 -0.00550 0.00136
401 15G+2 0.00117 0.00439 -0.00662 0.00852 -0.00271
402 15G-2 0.00212 0.01617 0.00700 0.00039 -0.00083
403 15G+3 -0.00151 0.00616 0.00521 -0.01037 0.00227
404 15G-3 -0.00126 -0.00848 0.00130 -0.00670 -0.00471
405 15G+4 0.00205 -0.00151 0.00082 0.00252 -0.00523
406 15G-4 -0.00108 -0.00142 -0.00086 0.00647 0.00092
151 152 153 154 155
V V V V V
Eigenvalues -- 3.96789 3.97295 3.98454 4.07164 4.11896
1 1 C 1S -0.02733 0.00000 0.00000 -0.05172 -0.06460
2 2S -0.04174 0.00000 0.00000 -0.03851 -0.04188
3 3S -0.37494 0.00000 0.00000 -0.73541 -1.00946
4 4S -2.54182 0.00000 0.00000 -1.02966 1.54710
5 5S 21.50912 0.00000 0.00000 24.55399 18.66017
6 6S 3.84532 0.00000 0.00000 4.31844 3.09500
7 7PX -0.00511 0.00000 0.00000 -0.00097 -0.01248
8 7PY -0.00863 0.00000 0.00000 0.00862 0.01013
9 7PZ 0.00000 0.01196 -0.01817 0.00000 0.00000
10 8PX -0.98939 0.00000 0.00000 -0.09881 -0.41937
11 8PY -0.46869 0.00000 0.00000 -0.54452 -0.54458
12 8PZ 0.00000 -0.03148 -0.66057 0.00000 0.00000
13 9PX 9.39160 0.00000 0.00000 2.52903 -0.34364
14 9PY 3.38265 0.00000 0.00000 4.67252 4.66295
15 9PZ 0.00000 1.56783 6.99838 0.00000 0.00000
16 10PX 11.38320 0.00000 0.00000 -1.96261 0.86752
17 10PY 5.70035 0.00000 0.00000 7.28676 8.45634
18 10PZ 0.00000 -2.96054 -2.21914 0.00000 0.00000
19 11PX 0.48664 0.00000 0.00000 -0.21072 -0.14407
20 11PY 0.21825 0.00000 0.00000 0.20584 0.24864
21 11PZ 0.00000 -0.23929 -0.11495 0.00000 0.00000
22 12D 0 -0.03935 0.00000 0.00000 -0.00713 0.00856
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24 12D-1 0.00000 -0.00107 -0.00836 0.00000 0.00000
25 12D+2 0.02088 0.00000 0.00000 -0.00552 -0.01324
26 12D-2 -0.01484 0.00000 0.00000 -0.01880 -0.00286
27 13D 0 0.11075 0.00000 0.00000 -0.26146 0.02355
28 13D+1 0.00000 -0.20407 -0.14704 0.00000 0.00000
29 13D-1 0.00000 0.25500 0.13067 0.00000 0.00000
30 13D+2 -0.15057 0.00000 0.00000 0.04446 -0.14794
31 13D-2 -0.36161 0.00000 0.00000 0.27938 0.03041
32 14D 0 2.59889 0.00000 0.00000 4.27052 -1.02267
33 14D+1 0.00000 3.40117 4.41991 0.00000 0.00000
34 14D-1 0.00000 -2.62920 0.92255 0.00000 0.00000
35 14D+2 0.28032 0.00000 0.00000 0.47427 3.57067
36 14D-2 4.78874 0.00000 0.00000 -2.47492 1.94294
37 15D 0 3.10917 0.00000 0.00000 1.65540 1.48101
38 15D+1 0.00000 0.28984 -1.03772 0.00000 0.00000
39 15D-1 0.00000 0.25829 2.83016 0.00000 0.00000
40 15D+2 0.28218 0.00000 0.00000 1.65179 1.88242
41 15D-2 1.36924 0.00000 0.00000 0.28653 -0.42260
42 16F 0 0.00000 -0.01392 -0.01238 0.00000 0.00000
43 16F+1 -0.02773 0.00000 0.00000 -0.05017 -0.03869
44 16F-1 -0.07017 0.00000 0.00000 -0.02634 0.01325
45 16F+2 0.00000 -0.01831 -0.00066 0.00000 0.00000
46 16F-2 0.00000 0.01153 -0.00366 0.00000 0.00000
47 16F+3 -0.00931 0.00000 0.00000 -0.03012 0.05536
48 16F-3 0.00512 0.00000 0.00000 -0.04236 -0.03723
49 17F 0 0.00000 0.23068 0.18007 0.00000 0.00000
50 17F+1 0.39959 0.00000 0.00000 0.82040 0.79701
51 17F-1 0.90589 0.00000 0.00000 0.47517 0.10343
52 17F+2 0.00000 0.29481 0.04107 0.00000 0.00000
53 17F-2 0.00000 -0.10951 0.23235 0.00000 0.00000
54 17F+3 0.05996 0.00000 0.00000 0.28251 -0.74833
55 17F-3 -0.08914 0.00000 0.00000 0.57859 0.60259
56 18F 0 0.00000 1.25255 1.42191 0.00000 0.00000
57 18F+1 1.94275 0.00000 0.00000 2.10638 0.63078
58 18F-1 1.04029 0.00000 0.00000 -0.19566 0.79901
59 18F+2 0.00000 1.62914 1.49246 0.00000 0.00000
60 18F-2 0.00000 -0.49760 0.54011 0.00000 0.00000
61 18F+3 -1.03555 0.00000 0.00000 1.17066 -0.81443
62 18F-3 0.38481 0.00000 0.00000 1.31154 -0.74559
63 19G 0 -0.04761 0.00000 0.00000 0.02561 0.06622
64 19G+1 0.00000 -0.00236 -0.00308 0.00000 0.00000
65 19G-1 0.00000 0.02508 0.03966 0.00000 0.00000
66 19G+2 0.00515 0.00000 0.00000 -0.00353 -0.00188
67 19G-2 -0.01256 0.00000 0.00000 0.03022 0.02759
68 19G+3 0.00000 -0.00668 -0.00042 0.00000 0.00000
69 19G-3 0.00000 0.02124 0.04131 0.00000 0.00000
70 19G+4 -0.01549 0.00000 0.00000 -0.02748 -0.01117
71 19G-4 0.00418 0.00000 0.00000 0.04343 -0.01014
72 20G 0 -0.37636 0.00000 0.00000 0.19606 -1.09998
73 20G+1 0.00000 0.49393 0.30441 0.00000 0.00000
74 20G-1 0.00000 -0.31242 -0.12516 0.00000 0.00000
75 20G+2 0.18899 0.00000 0.00000 0.46894 -0.08851
76 20G-2 0.79860 0.00000 0.00000 0.46188 0.44780
77 20G+3 0.00000 0.95429 0.38704 0.00000 0.00000
78 20G-3 0.00000 -0.08021 -0.25538 0.00000 0.00000
79 20G+4 0.38330 0.00000 0.00000 -0.28979 0.44972
80 20G-4 0.52771 0.00000 0.00000 -0.81408 -0.04685
81 21H 0 0.00000 -0.02048 -0.04192 0.00000 0.00000
82 21H+1 -0.03904 0.00000 0.00000 0.10436 -0.09954
83 21H-1 -0.04812 0.00000 0.00000 0.08477 -0.05688
84 21H+2 0.00000 0.16344 0.08830 0.00000 0.00000
85 21H-2 0.00000 -0.03901 -0.00801 0.00000 0.00000
86 21H+3 -0.00339 0.00000 0.00000 -0.00917 0.01382
87 21H-3 0.11240 0.00000 0.00000 -0.02678 0.06816
88 21H+4 0.00000 0.02306 -0.00391 0.00000 0.00000
89 21H-4 0.00000 0.07073 0.04894 0.00000 0.00000
90 21H+5 -0.08295 0.00000 0.00000 0.08882 -0.04683
91 21H-5 -0.04608 0.00000 0.00000 0.03634 0.02254
92 2 S 1S -0.01183 0.00000 0.00000 -0.00762 -0.00317
93 2S 0.00800 0.00000 0.00000 0.01425 0.01167
94 3S -0.10159 0.00000 0.00000 -0.03495 0.00117
95 4S -0.00926 0.00000 0.00000 0.19742 0.14230
96 5S -0.94251 0.00000 0.00000 -0.48484 0.35871
97 6S 2.42817 0.00000 0.00000 -0.51116 -2.48661
98 7S 1.07809 0.00000 0.00000 0.47748 0.29595
99 8PX -0.02211 0.00000 0.00000 0.00201 0.03531
100 8PY 0.00780 0.00000 0.00000 -0.01148 -0.03877
101 8PZ 0.00000 0.04220 -0.07090 0.00000 0.00000
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103 9PY -0.01630 0.00000 0.00000 0.06339 0.16500
104 9PZ 0.00000 -0.22437 0.36160 0.00000 0.00000
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106 10PY -0.01775 0.00000 0.00000 0.26720 0.61361
107 10PZ 0.00000 -0.87152 1.40239 0.00000 0.00000
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109 11PY -0.29310 0.00000 0.00000 -0.70407 -1.22822
110 11PZ 0.00000 0.85004 -1.85784 0.00000 0.00000
111 12PX 0.42454 0.00000 0.00000 -1.63314 -7.83577
112 12PY 1.15761 0.00000 0.00000 3.00790 6.61589
113 12PZ 0.00000 0.93289 3.22751 0.00000 0.00000
114 13PX -0.01305 0.00000 0.00000 0.28687 -0.23685
115 13PY 0.08911 0.00000 0.00000 -0.01907 0.19680
116 13PZ 0.00000 0.29970 -0.01981 0.00000 0.00000
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118 14D+1 0.00000 0.18388 -0.03465 0.00000 0.00000
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120 14D+2 0.17152 0.00000 0.00000 -1.42933 -4.49110
121 14D-2 0.01712 0.00000 0.00000 1.05668 -0.55896
122 15D 0 -0.21580 0.00000 0.00000 0.16550 0.69338
123 15D+1 0.00000 0.30542 -0.29018 0.00000 0.00000
124 15D-1 0.00000 0.21495 0.50204 0.00000 0.00000
125 15D+2 0.37185 0.00000 0.00000 -0.97423 -1.84866
126 15D-2 -0.86150 0.00000 0.00000 0.05502 0.69977
127 16D 0 0.12432 0.00000 0.00000 0.09061 -0.18679
128 16D+1 0.00000 -0.30727 0.33080 0.00000 0.00000
129 16D-1 0.00000 -0.01632 -0.29070 0.00000 0.00000
130 16D+2 0.00337 0.00000 0.00000 0.28392 0.58574
131 16D-2 0.52501 0.00000 0.00000 0.07815 -0.24700
132 17D 0 0.00823 0.00000 0.00000 0.01098 -0.00680
133 17D+1 0.00000 -0.03488 0.04596 0.00000 0.00000
134 17D-1 0.00000 0.01120 -0.00194 0.00000 0.00000
135 17D+2 0.02642 0.00000 0.00000 -0.00058 -0.01816
136 17D-2 0.03572 0.00000 0.00000 0.02520 -0.00432
137 18F 0 0.00000 -0.37111 -0.43455 0.00000 0.00000
138 18F+1 -0.16812 0.00000 0.00000 0.08145 0.80941
139 18F-1 -0.05160 0.00000 0.00000 -0.19481 -0.46123
140 18F+2 0.00000 0.02083 -1.06325 0.00000 0.00000
141 18F-2 0.00000 -0.14245 0.24079 0.00000 0.00000
142 18F+3 0.00010 0.00000 0.00000 -0.43485 -0.34806
143 18F-3 0.23474 0.00000 0.00000 0.13464 -0.53150
144 19F 0 0.00000 -0.03396 -0.26055 0.00000 0.00000
145 19F+1 -0.02258 0.00000 0.00000 0.18351 0.46223
146 19F-1 0.02036 0.00000 0.00000 -0.08854 -0.30394
147 19F+2 0.00000 -0.23117 -0.09596 0.00000 0.00000
148 19F-2 0.00000 0.04110 -0.03522 0.00000 0.00000
149 19F+3 0.48008 0.00000 0.00000 -0.60733 -0.59700
150 19F-3 0.07481 0.00000 0.00000 -0.14246 0.03623
151 20F 0 0.00000 -0.04431 0.14195 0.00000 0.00000
152 20F+1 0.02342 0.00000 0.00000 0.03476 -0.07048
153 20F-1 -0.02942 0.00000 0.00000 -0.03348 0.06464
154 20F+2 0.00000 0.10599 -0.01154 0.00000 0.00000
155 20F-2 0.00000 -0.03529 -0.01256 0.00000 0.00000
156 20F+3 -0.03710 0.00000 0.00000 0.14772 0.06490
157 20F-3 -0.05286 0.00000 0.00000 0.05758 0.03477
158 21G 0 0.05380 0.00000 0.00000 0.03074 -0.07231
159 21G+1 0.00000 -0.15870 0.22553 0.00000 0.00000
160 21G-1 0.00000 0.05932 -0.26963 0.00000 0.00000
161 21G+2 0.00605 0.00000 0.00000 0.26229 0.45514
162 21G-2 -0.07019 0.00000 0.00000 0.07258 -0.04278
163 21G+3 0.00000 0.11996 -0.04900 0.00000 0.00000
164 21G-3 0.00000 -0.07107 -0.19581 0.00000 0.00000
165 21G+4 -0.17567 0.00000 0.00000 -0.19528 -0.08648
166 21G-4 0.12399 0.00000 0.00000 0.08052 0.13195
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287 14F-3 0.13290 0.00000 0.00000 -0.44820 0.36675
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300 4S -9.98434 1.08738 -0.75086 -6.09327 -5.65347
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327 12D+2 0.25325 0.66890 0.12154 0.04954 0.07357
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330 13F+1 -0.00245 0.01895 0.00504 0.02202 0.00045
331 13F-1 0.01448 0.00672 0.00438 0.00276 0.01039
332 13F+2 0.00289 0.00759 0.01280 0.00619 0.00962
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334 13F+3 -0.00402 -0.01959 -0.01861 0.01152 0.00641
335 13F-3 0.01241 0.02594 -0.00802 0.01782 -0.04143
336 14F 0 0.15373 -0.20491 -0.04126 -0.20177 0.15018
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343 15G 0 -0.01072 0.00921 0.00590 0.01758 -0.00284
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348 15G+3 -0.00394 0.01634 0.00792 0.00763 -0.00410
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351 15G-4 -0.00118 0.00854 0.00531 -0.00099 0.00267
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355 4S -9.98434 -1.08738 0.75086 -6.09327 -5.65347
356 5S -0.02864 0.04928 0.11540 -0.14383 0.07172
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362 7PZ -0.02834 -0.03245 -0.08355 0.00368 0.07389
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378 11D-2 0.01363 0.15509 0.14532 -0.28299 0.00318
379 12D 0 -1.32486 -0.05471 0.34525 0.20638 -1.03691
380 12D+1 0.22562 0.43939 -0.29569 0.83559 0.32120
381 12D-1 0.42136 -1.06744 -0.86818 0.83467 0.29881
382 12D+2 0.25325 -0.66890 -0.12154 0.04954 0.07357
383 12D-2 0.03286 0.29436 0.41772 -0.70797 0.59388
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388 13F-2 -0.01489 -0.03818 -0.00631 0.00351 -0.01896
389 13F+3 -0.00402 0.01959 0.01861 0.01152 0.00641
390 13F-3 0.01241 -0.02594 0.00802 0.01782 -0.04143
391 14F 0 -0.15373 -0.20491 -0.04126 0.20177 -0.15018
392 14F+1 0.21682 0.29748 -0.01576 -0.03487 0.20103
393 14F-1 0.10651 -0.18873 -0.14901 0.10112 0.17346
394 14F+2 0.02081 -0.42709 -0.25507 0.08113 0.14428
395 14F-2 0.09457 0.41946 0.17215 -0.33301 0.25991
396 14F+3 0.05552 0.01593 -0.05022 -0.19558 0.00240
397 14F-3 -0.10863 0.27551 -0.02127 -0.05461 0.19270
398 15G 0 -0.01072 -0.00921 -0.00590 0.01758 -0.00284
399 15G+1 0.00929 0.00431 -0.00278 0.00097 0.01630
400 15G-1 0.01660 -0.00428 -0.00282 -0.00588 0.01851
401 15G+2 0.00021 -0.01788 -0.00646 0.00199 0.00361
402 15G-2 -0.00079 0.00547 0.00394 -0.01340 -0.00240
403 15G+3 0.00394 0.01634 0.00792 -0.00763 0.00410
404 15G-3 0.00022 0.01084 0.00731 0.00673 -0.01118
405 15G+4 0.00169 -0.00138 -0.00060 0.00404 -0.00526
406 15G-4 -0.00118 -0.00854 -0.00531 -0.00099 0.00267
156 157 158 159 160
V V V V V
Eigenvalues -- 4.13834 4.14578 4.17065 4.17275 4.17508
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2 2S 0.00000 0.00000 -0.03002 0.00000 -0.01403
3 3S 0.00000 0.00000 -1.17164 0.00000 -0.02602
4 4S 0.00000 0.00000 2.13740 0.00000 -1.68845
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12 8PZ -0.58807 -1.42166 0.00000 -0.80393 0.00000
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14 9PY 0.00000 0.00000 5.19725 0.00000 0.45149
15 9PZ 3.28143 8.04421 0.00000 6.12859 0.00000
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34 14D-1 1.32328 2.46151 0.00000 1.30919 0.00000
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41 15D-2 0.00000 0.00000 -0.29080 0.00000 1.50242
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55 17F-3 0.00000 0.00000 0.31019 0.00000 0.27054
56 18F 0 0.50345 0.28916 0.00000 1.07470 0.00000
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58 18F-1 0.00000 0.00000 -0.62243 0.00000 1.08300
59 18F+2 -0.63525 0.50377 0.00000 1.07079 0.00000
60 18F-2 0.62858 1.65274 0.00000 1.08845 0.00000
61 18F+3 0.00000 0.00000 -1.01067 0.00000 0.69185
62 18F-3 0.00000 0.00000 0.21305 0.00000 0.04456
63 19G 0 0.00000 0.00000 -0.02532 0.00000 -0.03277
64 19G+1 -0.01932 -0.01119 0.00000 0.01927 0.00000
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380 12D+1 -0.53089 -0.55849 0.98632 -0.08398 -0.17281
381 12D-1 0.38711 0.07811 0.11178 -0.59158 0.15873
382 12D+2 0.11932 0.20590 -0.45209 0.17970 0.02690
383 12D-2 0.28880 0.28347 -0.74527 0.41421 0.09152
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388 13F-2 0.02712 0.03043 -0.01232 0.01913 -0.01987
389 13F+3 -0.04310 -0.00465 0.01194 -0.03546 -0.00439
390 13F-3 -0.00996 0.04835 0.00593 0.00072 0.00926
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392 14F+1 0.08279 -0.24210 0.09438 -0.12714 -0.01801
393 14F-1 -0.20121 0.16459 -0.03990 -0.08140 0.17331
394 14F+2 0.40336 -0.14104 -0.18581 -0.06721 0.20122
395 14F-2 -0.16231 -0.08111 -0.13890 -0.07549 0.14148
396 14F+3 0.35748 0.06218 -0.11191 0.28383 -0.02946
397 14F-3 0.05747 -0.46313 0.12169 -0.01564 -0.10356
398 15G 0 -0.00382 -0.00892 0.00537 -0.00217 -0.00581
399 15G+1 -0.00454 -0.00244 -0.00056 0.00198 0.00090
400 15G-1 0.00972 0.00927 -0.00479 -0.00705 0.00147
401 15G+2 0.00574 0.01098 -0.01281 -0.00236 0.00783
402 15G-2 0.00109 0.00311 -0.01039 0.00261 0.00240
403 15G+3 0.00182 0.00171 -0.00226 -0.00231 -0.00527
404 15G-3 -0.00234 -0.00477 0.01619 -0.00211 -0.00086
405 15G+4 -0.00178 -0.00293 0.00541 0.00217 0.00199
406 15G-4 -0.00163 -0.00093 -0.00347 0.00411 0.00082
161 162 163 164 165
V V V V V
Eigenvalues -- 4.25981 4.32182 4.34595 4.37258 4.42453
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31 13D-2 0.13464 0.00000 -0.00907 0.00000 0.27208
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48 16F-3 -0.04540 0.00000 -0.06622 0.00000 0.04044
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51 17F-1 0.38238 0.00000 0.80195 0.00000 -0.00074
52 17F+2 0.00000 -0.02817 0.00000 0.78617 0.00000
53 17F-2 0.00000 0.36585 0.00000 0.46082 0.00000
54 17F+3 0.13039 0.00000 -0.48090 0.00000 0.61803
55 17F-3 0.52964 0.00000 0.79058 0.00000 -0.38875
56 18F 0 0.00000 -0.61878 0.00000 -0.31263 0.00000
57 18F+1 0.70673 0.00000 0.82772 0.00000 0.65212
58 18F-1 -0.17263 0.00000 -0.46136 0.00000 1.08127
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60 18F-2 0.00000 0.40815 0.00000 0.95040 0.00000
61 18F+3 1.62644 0.00000 -0.54582 0.00000 -0.23533
62 18F-3 -0.35824 0.00000 -0.63846 0.00000 -0.57006
63 19G 0 0.00391 0.00000 -0.01099 0.00000 -0.01025
64 19G+1 0.00000 -0.00039 0.00000 0.00061 0.00000
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67 19G-2 0.03972 0.00000 0.07737 0.00000 0.00645
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69 19G-3 0.00000 0.02011 0.00000 0.00046 0.00000
70 19G+4 0.01416 0.00000 0.03513 0.00000 0.00935
71 19G-4 -0.02644 0.00000 -0.00968 0.00000 0.00877
72 20G 0 0.20829 0.00000 -0.07036 0.00000 1.72723
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78 20G-3 0.00000 0.00600 0.00000 -0.08446 0.00000
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80 20G-4 0.03290 0.00000 -0.07302 0.00000 -0.23370
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83 21H-1 0.01759 0.00000 -0.01820 0.00000 0.18960
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87 21H-3 -0.02750 0.00000 0.01348 0.00000 -0.07141
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89 21H-4 0.00000 0.02160 0.00000 0.19205 0.00000
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93 2S -0.00824 0.00000 -0.02788 0.00000 0.01636
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131 16D-2 -0.21199 0.00000 0.18340 0.00000 0.05748
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136 17D-2 -0.04104 0.00000 -0.00222 0.00000 0.02446
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143 18F-3 0.70569 0.00000 1.13177 0.00000 -0.38206
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150 19F-3 -0.47506 0.00000 -0.52340 0.00000 0.05884
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287 14F-3 -0.08559 0.00000 -0.00912 0.00000 -0.02952
288 15G 0 -0.00116 0.00000 -0.00768 0.00000 -0.00358
289 15G+1 0.00000 0.00823 0.00000 -0.04929 0.00000
290 15G-1 0.00000 -0.00104 0.00000 0.01564 0.00000
291 15G+2 0.00780 0.00000 0.00540 0.00000 0.00370
292 15G-2 0.00299 0.00000 -0.00855 0.00000 -0.00186
293 15G+3 0.00000 -0.00542 0.00000 0.02940 0.00000
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296 15G-4 -0.00483 0.00000 0.00386 0.00000 -0.00261
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300 4S -3.97746 -2.00090 -6.57763 1.24951 -0.77354
301 5S -0.09642 0.05131 -0.32927 0.37023 0.30239
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327 12D+2 0.05817 -0.35353 0.16166 1.47182 -0.01678
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331 13F-1 -0.00851 -0.01094 0.01881 -0.01242 0.00179
332 13F+2 -0.02484 -0.03994 0.03477 0.00537 0.01067
333 13F-2 0.03319 -0.00402 0.01766 0.03074 0.00016
334 13F+3 0.05991 0.01453 -0.02186 0.01284 -0.02723
335 13F-3 0.01344 0.00296 -0.01858 -0.02366 -0.02247
336 14F 0 -0.35690 0.20304 0.14969 0.21119 -0.85072
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338 14F-1 0.14444 0.13603 0.05418 0.51303 -0.00737
339 14F+2 0.23577 0.40214 -0.28905 -0.60817 -0.15372
340 14F-2 -0.04825 0.03372 -0.04306 -0.28002 0.54330
341 14F+3 -0.52793 -0.06730 0.15704 -0.24981 0.01947
342 14F-3 -0.03072 0.00795 0.15937 0.03679 0.43934
343 15G 0 0.00950 -0.00506 -0.00511 -0.00895 0.03181
344 15G+1 0.00175 -0.00445 -0.01453 0.01339 0.03488
345 15G-1 0.00112 -0.00790 -0.00920 -0.01909 0.01825
346 15G+2 -0.00040 -0.00716 -0.00120 0.04008 0.01084
347 15G-2 -0.01122 0.00156 -0.01028 -0.00079 -0.01531
348 15G+3 0.00751 -0.00923 0.00066 0.01914 0.01752
349 15G-3 -0.00537 -0.00341 -0.00153 0.01747 -0.01900
350 15G+4 0.00161 -0.00043 -0.00012 -0.00001 0.00908
351 15G-4 0.00201 -0.00321 0.00031 0.00683 -0.00384
352 6 H 1S -0.00732 0.00737 -0.01335 0.00514 -0.00474
353 2S 0.56250 -0.35485 0.93424 -0.41482 0.44429
354 3S -4.73740 1.91427 -6.18789 -0.05787 -2.53459
355 4S -3.97746 2.00090 -6.57763 -1.24951 -0.77354
356 5S -0.09642 -0.05131 -0.32927 -0.37023 0.30239
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361 7PY -0.08137 0.02785 -0.08638 0.06144 -0.12991
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366 9PX 0.92884 -0.68951 1.16978 2.33838 1.74656
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372 10D+2 -0.00171 -0.01581 0.00545 0.03178 0.00824
373 10D-2 0.00170 -0.02601 -0.00603 0.00516 0.01974
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378 11D-2 -0.05656 0.15727 0.01098 -0.04693 -0.23135
379 12D 0 0.25449 0.67680 -0.98462 0.35325 2.39361
380 12D+1 0.45335 -0.52512 0.66031 1.71027 0.45104
381 12D-1 0.82686 0.11999 0.32847 -1.10187 0.94105
382 12D+2 0.05817 0.35353 0.16166 -1.47182 -0.01678
383 12D-2 -0.46974 -0.32411 -0.15312 -0.25660 -1.50384
384 13F 0 -0.02695 -0.01580 -0.00442 -0.00365 -0.01062
385 13F+1 0.00609 -0.01870 -0.00193 -0.00004 -0.00025
386 13F-1 -0.00851 0.01094 0.01881 0.01242 0.00179
387 13F+2 0.02484 -0.03994 -0.03477 0.00537 -0.01067
388 13F-2 -0.03319 -0.00402 -0.01766 0.03074 -0.00016
389 13F+3 0.05991 -0.01453 -0.02186 -0.01284 -0.02723
390 13F-3 0.01344 -0.00296 -0.01858 0.02366 -0.02247
391 14F 0 0.35690 0.20304 -0.14969 0.21119 0.85072
392 14F+1 0.09230 0.10524 0.24958 0.32545 -0.25083
393 14F-1 0.14444 -0.13603 0.05418 -0.51303 -0.00737
394 14F+2 -0.23577 0.40214 0.28905 -0.60817 0.15372
395 14F-2 0.04825 0.03372 0.04306 -0.28002 -0.54330
396 14F+3 -0.52793 0.06730 0.15704 0.24981 0.01947
397 14F-3 -0.03072 -0.00795 0.15937 -0.03679 0.43934
398 15G 0 0.00950 0.00506 -0.00511 0.00895 0.03181
399 15G+1 -0.00175 -0.00445 0.01453 0.01339 -0.03488
400 15G-1 -0.00112 -0.00790 0.00920 -0.01909 -0.01825
401 15G+2 -0.00040 0.00716 -0.00120 -0.04008 0.01084
402 15G-2 -0.01122 -0.00156 -0.01028 0.00079 -0.01531
403 15G+3 -0.00751 -0.00923 -0.00066 0.01914 -0.01752
404 15G-3 0.00537 -0.00341 0.00153 0.01747 0.01900
405 15G+4 0.00161 0.00043 -0.00012 0.00001 0.00908
406 15G-4 0.00201 0.00321 0.00031 -0.00683 -0.00384
166 167 168 169 170
V V V V V
Eigenvalues -- 4.47147 4.49571 4.51819 4.61677 4.65457
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2 2S -0.01363 0.00000 -0.00486 -0.04877 0.00000
3 3S -1.10296 0.00000 -0.22844 -0.87067 0.00000
4 4S 1.73549 0.00000 0.42123 1.82170 0.00000
5 5S 23.24333 0.00000 3.80346 13.59059 0.00000
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13 9PX 0.59163 0.00000 10.74512 -3.11592 0.00000
14 9PY 0.04064 0.00000 0.33551 12.05790 0.00000
15 9PZ 0.00000 5.22310 0.00000 0.00000 5.00463
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30 13D+2 -0.04544 0.00000 -0.43391 0.73803 0.00000
31 13D-2 -0.04026 0.00000 -0.34525 0.18768 0.00000
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35 14D+2 4.13580 0.00000 2.49969 -3.10264 0.00000
36 14D-2 1.56844 0.00000 5.61632 -1.71949 0.00000
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48 16F-3 0.06262 0.00000 0.01118 -0.03250 0.00000
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51 17F-1 0.22345 0.00000 -0.00892 0.61032 0.00000
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53 17F-2 0.00000 -0.29647 0.00000 0.00000 -0.44868
54 17F+3 -0.59369 0.00000 -0.66033 -0.01626 0.00000
55 17F-3 -0.26735 0.00000 -0.16797 0.68146 0.00000
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60 18F-2 0.00000 -0.52726 0.00000 0.00000 -0.47893
61 18F+3 -0.59470 0.00000 1.17613 -0.46407 0.00000
62 18F-3 1.14108 0.00000 0.42091 0.89298 0.00000
63 19G 0 0.01895 0.00000 -0.04604 -0.01701 0.00000
64 19G+1 0.00000 0.02156 0.00000 0.00000 0.05269
65 19G-1 0.00000 0.01596 0.00000 0.00000 0.04284
66 19G+2 -0.03188 0.00000 0.01468 -0.02514 0.00000
67 19G-2 0.09764 0.00000 0.03779 0.06208 0.00000
68 19G+3 0.00000 0.01760 0.00000 0.00000 -0.00197
69 19G-3 0.00000 0.03348 0.00000 0.00000 0.05007
70 19G+4 -0.01616 0.00000 0.01715 -0.01996 0.00000
71 19G-4 -0.05313 0.00000 0.04784 -0.02758 0.00000
72 20G 0 -0.03138 0.00000 -0.90313 -0.04355 0.00000
73 20G+1 0.00000 0.42280 0.00000 0.00000 0.29039
74 20G-1 0.00000 -0.03887 0.00000 0.00000 -0.51738
75 20G+2 0.62195 0.00000 0.60501 -0.98320 0.00000
76 20G-2 -0.59675 0.00000 -0.04589 0.41349 0.00000
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78 20G-3 0.00000 -0.23358 0.00000 0.00000 -0.60323
79 20G+4 0.86665 0.00000 0.19120 -0.83096 0.00000
80 20G-4 0.70687 0.00000 0.13139 -0.64097 0.00000
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82 21H+1 0.05077 0.00000 -0.12748 -0.06146 0.00000
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85 21H-2 0.00000 0.02516 0.00000 0.00000 -0.06379
86 21H+3 0.09039 0.00000 0.05032 -0.16192 0.00000
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89 21H-4 0.00000 -0.10119 0.00000 0.00000 -0.00770
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91 21H-5 0.01084 0.00000 0.01114 0.00048 0.00000
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93 2S 0.00701 0.00000 0.02275 0.02217 0.00000
94 3S -0.02423 0.00000 0.03364 -0.07570 0.00000
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125 15D+2 0.30787 0.00000 -1.23614 -1.44857 0.00000
126 15D-2 0.45017 0.00000 0.66436 0.25372 0.00000
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135 17D+2 -0.01176 0.00000 -0.03775 -0.00271 0.00000
136 17D-2 0.00080 0.00000 -0.00572 0.00969 0.00000
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141 18F-2 0.00000 -0.04393 0.00000 0.00000 0.10792
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143 18F-3 0.79135 0.00000 0.03813 -0.67271 0.00000
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148 19F-2 0.00000 -0.49926 0.00000 0.00000 -0.17347
149 19F+3 0.10918 0.00000 -0.85889 -0.90332 0.00000
150 19F-3 0.57993 0.00000 0.10611 0.09508 0.00000
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157 20F-3 0.00500 0.00000 -0.04549 -0.19320 0.00000
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162 21G-2 -0.18034 0.00000 -0.23211 -0.04676 0.00000
163 21G+3 0.00000 0.06887 0.00000 0.00000 0.18533
164 21G-3 0.00000 -0.73450 0.00000 0.00000 -0.04467
165 21G+4 -0.26992 0.00000 0.11137 0.24629 0.00000
166 21G-4 0.58039 0.00000 -0.43577 -0.01108 0.00000
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406 15G-4 0.00376 -0.00048 0.00374 -0.00569 -0.00339
171 172 173 174 175
V V V V V
Eigenvalues -- 4.66777 4.71278 4.71304 4.74671 4.75649
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389 13F+3 -0.01837 0.01937 -0.00139 0.01516 -0.00878
390 13F-3 0.02755 -0.01597 -0.01212 0.01310 0.01852
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392 14F+1 0.14964 0.55987 -0.12255 0.30816 -0.23571
393 14F-1 0.18460 -0.34731 0.27076 -0.11818 0.28414
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395 14F-2 0.04295 -0.11803 0.30045 0.44724 -0.21333
396 14F+3 0.22065 -0.16965 -0.08621 0.01782 -0.04575
397 14F-3 -0.26994 0.18110 0.00929 -0.22197 -0.26439
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400 15G-1 0.01234 -0.00700 0.01158 0.00462 0.01538
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404 15G-3 -0.00347 0.01152 -0.01107 -0.01337 -0.00949
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406 15G-4 -0.00296 -0.00002 0.00307 -0.00136 0.00505
176 177 178 179 180
V V V V V
Eigenvalues -- 4.78530 4.79986 4.80672 4.85574 4.88373
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300 4S -2.62273 -0.59815 -0.94466 -7.42784 -3.47798
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326 12D-1 -0.68087 0.10654 -0.27033 -1.28759 0.21676
327 12D+2 0.94394 -0.52261 0.69442 -0.40342 -0.46790
328 12D-2 0.50805 0.11552 -0.34484 -0.19966 -0.76967
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330 13F+1 -0.01174 -0.03052 -0.05361 -0.01649 0.01987
331 13F-1 -0.00859 0.00177 0.00698 -0.05574 0.00895
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333 13F-2 0.00193 -0.01045 -0.00584 0.02222 -0.01057
334 13F+3 0.00469 -0.02039 0.01183 -0.01646 0.02065
335 13F-3 0.00578 0.01133 0.02103 0.01709 -0.03794
336 14F 0 0.54327 -0.22454 0.10719 0.09056 0.65253
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338 14F-1 0.33842 -0.02083 -0.05141 0.80857 -0.06074
339 14F+2 -0.30883 0.35963 -0.01636 -0.04678 0.26434
340 14F-2 -0.10268 0.15495 0.19892 -0.00997 0.26881
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343 15G 0 -0.02939 0.00992 0.00932 0.01133 -0.01881
344 15G+1 -0.02312 -0.01360 -0.01578 -0.01531 -0.00249
345 15G-1 -0.02713 0.01064 0.00951 -0.02328 -0.00155
346 15G+2 0.01864 -0.01736 -0.00813 -0.00027 -0.00905
347 15G-2 -0.00004 -0.00279 -0.00557 -0.01753 -0.00591
348 15G+3 0.00892 -0.00394 0.00950 -0.00931 0.00041
349 15G-3 0.01932 -0.00782 0.00947 0.00094 -0.01530
350 15G+4 -0.00246 -0.00218 0.00107 -0.00758 0.00810
351 15G-4 0.00937 -0.00011 0.00767 -0.00194 -0.00513
352 6 H 1S 0.00593 0.00803 -0.02225 0.02217 -0.00134
353 2S -0.25288 -0.19433 0.61501 -0.83810 0.10085
354 3S 3.89113 -3.76991 3.69021 10.00855 -4.00352
355 4S 2.62273 -0.59815 0.94466 7.42784 -3.47798
356 5S -0.00356 -0.01447 -0.23676 0.00561 0.06301
357 6PX 0.01778 -0.00691 0.00779 -0.02470 0.00402
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378 11D-2 0.09161 -0.21401 0.12276 0.28030 0.14677
379 12D 0 2.08568 0.49940 -0.00066 1.08200 -1.13726
380 12D+1 0.67805 1.07690 -0.47801 -1.45678 0.00069
381 12D-1 -0.68087 -0.10654 -0.27033 -1.28759 -0.21676
382 12D+2 -0.94394 -0.52261 -0.69442 0.40342 -0.46790
383 12D-2 -0.50805 0.11552 0.34484 0.19966 -0.76967
384 13F 0 -0.00546 -0.02654 -0.02993 -0.01800 0.06150
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386 13F-1 0.00859 0.00177 -0.00698 0.05574 0.00895
387 13F+2 0.00264 0.02455 -0.00485 0.02036 0.01467
388 13F-2 0.00193 0.01045 -0.00584 0.02222 0.01057
389 13F+3 -0.00469 -0.02039 -0.01183 0.01646 0.02065
390 13F-3 -0.00578 0.01133 -0.02103 -0.01709 -0.03794
391 14F 0 0.54327 0.22454 0.10719 0.09056 -0.65253
392 14F+1 -0.18556 0.51721 -0.69575 -0.47964 -0.09891
393 14F-1 -0.33842 -0.02083 0.05141 -0.80857 -0.06074
394 14F+2 -0.30883 -0.35963 -0.01636 -0.04678 -0.26434
395 14F-2 -0.10268 -0.15495 0.19892 -0.00997 -0.26881
396 14F+3 0.12493 0.16900 0.21277 -0.21787 -0.19482
397 14F-3 0.20191 -0.08540 0.21565 0.12576 0.48906
398 15G 0 0.02939 0.00992 -0.00932 -0.01133 -0.01881
399 15G+1 -0.02312 0.01360 -0.01578 -0.01531 0.00249
400 15G-1 -0.02713 -0.01064 0.00951 -0.02328 0.00155
401 15G+2 -0.01864 -0.01736 0.00813 0.00027 -0.00905
402 15G-2 0.00004 -0.00279 0.00557 0.01753 -0.00591
403 15G+3 0.00892 0.00394 0.00950 -0.00931 -0.00041
404 15G-3 0.01932 0.00782 0.00947 0.00094 0.01530
405 15G+4 0.00246 -0.00218 -0.00107 0.00758 0.00810
406 15G-4 -0.00937 -0.00011 -0.00767 0.00194 -0.00513
181 182 183 184 185
V V V V V
Eigenvalues -- 4.90125 4.94940 4.97176 4.99813 5.03668
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2 2S -0.00123 0.00000 0.01146 0.00000 -0.00731
3 3S 0.10314 0.00000 -0.50728 0.00000 -0.39966
4 4S 0.61325 0.00000 1.04010 0.00000 -1.92320
5 5S -5.76779 0.00000 11.43053 0.00000 18.15010
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10 8PX -0.82441 0.00000 -0.10979 0.00000 -0.41082
11 8PY -0.18370 0.00000 -0.19676 0.00000 -0.49790
12 8PZ 0.00000 -0.80873 0.00000 -0.12632 0.00000
13 9PX 18.66335 0.00000 3.57710 0.00000 13.13014
14 9PY 1.31641 0.00000 2.15554 0.00000 4.39739
15 9PZ 0.00000 18.09227 0.00000 1.41701 0.00000
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21 11PZ 0.00000 0.41814 0.00000 0.02544 0.00000
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31 13D-2 0.27587 0.00000 0.07135 0.00000 0.53284
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34 14D-1 0.00000 6.14684 0.00000 0.31795 0.00000
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36 14D-2 4.82081 0.00000 0.49113 0.00000 1.51860
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48 16F-3 -0.00864 0.00000 0.01936 0.00000 -0.06257
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51 17F-1 0.63437 0.00000 0.33216 0.00000 0.74998
52 17F+2 0.00000 -0.19659 0.00000 -0.09138 0.00000
53 17F-2 0.00000 0.86262 0.00000 -0.02246 0.00000
54 17F+3 1.10181 0.00000 -0.07096 0.00000 0.67297
55 17F-3 -0.40648 0.00000 -0.17534 0.00000 0.52970
56 18F 0 0.00000 0.15094 0.00000 0.06709 0.00000
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58 18F-1 0.44229 0.00000 0.91469 0.00000 1.41984
59 18F+2 0.00000 0.42690 0.00000 0.27971 0.00000
60 18F-2 0.00000 0.89826 0.00000 -0.02074 0.00000
61 18F+3 1.98378 0.00000 -0.55477 0.00000 -0.64221
62 18F-3 -0.47065 0.00000 -0.21101 0.00000 0.75424
63 19G 0 -0.02498 0.00000 -0.00768 0.00000 0.01461
64 19G+1 0.00000 0.05287 0.00000 0.00238 0.00000
65 19G-1 0.00000 0.06361 0.00000 -0.01719 0.00000
66 19G+2 -0.01133 0.00000 0.07263 0.00000 0.04217
67 19G-2 0.00896 0.00000 0.02222 0.00000 -0.00801
68 19G+3 0.00000 -0.01269 0.00000 -0.01418 0.00000
69 19G-3 0.00000 -0.04931 0.00000 0.02581 0.00000
70 19G+4 0.01365 0.00000 0.00849 0.00000 -0.01581
71 19G-4 0.04993 0.00000 -0.00181 0.00000 -0.00156
72 20G 0 -0.39319 0.00000 0.42611 0.00000 -0.64242
73 20G+1 0.00000 0.39401 0.00000 0.04703 0.00000
74 20G-1 0.00000 0.33747 0.00000 0.66417 0.00000
75 20G+2 0.92994 0.00000 -0.55941 0.00000 0.55512
76 20G-2 0.23037 0.00000 0.00200 0.00000 1.01761
77 20G+3 0.00000 0.20598 0.00000 0.34252 0.00000
78 20G-3 0.00000 0.87005 0.00000 -0.70533 0.00000
79 20G+4 -0.97038 0.00000 -0.04082 0.00000 -0.17754
80 20G-4 0.00801 0.00000 0.15634 0.00000 0.07999
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85 21H-2 0.00000 0.08746 0.00000 -0.00507 0.00000
86 21H+3 -0.04333 0.00000 0.01959 0.00000 0.02205
87 21H-3 0.06955 0.00000 -0.01377 0.00000 0.04425
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89 21H-4 0.00000 -0.01941 0.00000 0.02461 0.00000
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91 21H-5 -0.02353 0.00000 -0.01271 0.00000 0.03142
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93 2S 0.01176 0.00000 -0.01537 0.00000 0.00347
94 3S -0.04510 0.00000 0.06803 0.00000 0.04637
95 4S 0.17711 0.00000 -0.03048 0.00000 0.10758
96 5S 0.61865 0.00000 -0.08747 0.00000 -1.09574
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115 13PY -0.06119 0.00000 -0.16026 0.00000 -0.19832
116 13PZ 0.00000 0.02639 0.00000 -0.03393 0.00000
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125 15D+2 -1.73777 0.00000 0.67315 0.00000 0.99404
126 15D-2 0.41680 0.00000 1.17352 0.00000 -0.48955
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129 16D-1 0.00000 -0.00971 0.00000 -0.03226 0.00000
130 16D+2 0.20124 0.00000 0.00274 0.00000 -0.13476
131 16D-2 -0.15785 0.00000 -0.31464 0.00000 0.17800
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135 17D+2 -0.00106 0.00000 0.03940 0.00000 -0.00664
136 17D-2 -0.00631 0.00000 0.01543 0.00000 0.00706
137 18F 0 0.00000 -0.08984 0.00000 0.07750 0.00000
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139 18F-1 0.08803 0.00000 -0.00872 0.00000 0.28566
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143 18F-3 -0.28404 0.00000 -0.32628 0.00000 -0.27019
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146 19F-1 0.06624 0.00000 -0.37000 0.00000 0.05000
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148 19F-2 0.00000 -0.04513 0.00000 0.08190 0.00000
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150 19F-3 -0.22122 0.00000 0.76318 0.00000 0.24113
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154 20F+2 0.00000 -0.32733 0.00000 -0.09769 0.00000
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157 20F-3 0.07813 0.00000 -0.21432 0.00000 -0.30525
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162 21G-2 -0.01385 0.00000 -0.07674 0.00000 0.12921
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166 21G-4 -0.53024 0.00000 0.59876 0.00000 0.23013
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168 22G+1 0.00000 0.06547 0.00000 0.03440 0.00000
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185 23H+5 -0.20093 0.00000 0.05131 0.00000 0.02037
186 23H-5 -0.08343 0.00000 -0.02463 0.00000 0.07963
187 3 H 1S 0.02350 0.00000 0.00110 0.00000 -0.01865
188 2S -0.88575 0.00000 -0.05242 0.00000 0.70091
189 3S 3.47041 0.00000 -1.12095 0.00000 -2.63937
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391 14F 0 -0.30804 -0.34492 0.15186 -0.46791 -0.11007
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395 14F-2 -0.25321 0.60148 -0.43950 -0.14375 -0.39774
396 14F+3 -0.19313 0.01554 -0.22524 -0.41593 -0.05574
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398 15G 0 -0.00265 -0.00643 0.00982 -0.01354 0.01050
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400 15G-1 0.00512 -0.00180 0.00633 -0.00476 0.02072
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406 15G-4 0.00070 0.00423 -0.00091 0.00069 0.00332
186 187 188 189 190
V V V V V
Eigenvalues -- 5.07973 5.10326 5.11436 5.13774 5.17545
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398 15G 0 -0.00531 -0.00005 0.00633 0.00501 -0.01307
399 15G+1 0.00924 0.00623 -0.00688 0.00871 0.00647
400 15G-1 0.00856 0.01216 -0.01077 -0.00572 0.00441
401 15G+2 -0.00995 -0.00126 -0.00307 -0.00393 -0.00983
402 15G-2 -0.00106 0.00209 0.00616 -0.00332 0.01551
403 15G+3 0.00746 0.01178 -0.00081 -0.00594 0.01764
404 15G-3 0.00474 -0.00920 0.00169 -0.00456 -0.00898
405 15G+4 -0.00089 -0.00971 0.00036 0.00222 -0.01011
406 15G-4 -0.00463 0.00083 -0.00339 0.00326 -0.00033
191 192 193 194 195
V V V V V
Eigenvalues -- 5.18685 5.21713 5.22278 5.26670 5.28668
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2 2S -0.02367 0.00000 0.01619 0.06077 0.09729
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4 4S -0.12282 0.00000 0.59094 -4.93263 -2.76730
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21 11PZ 0.00000 0.11542 0.00000 0.00000 0.00000
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31 13D-2 0.60417 0.00000 -0.15290 -0.40247 0.09337
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41 15D-2 -0.87245 0.00000 0.34244 0.01795 2.27036
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44 16F-1 -0.00657 0.00000 0.06073 -0.02041 0.00690
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47 16F+3 -0.01189 0.00000 -0.01574 0.01098 0.02012
48 16F-3 -0.03169 0.00000 0.02437 -0.05007 0.01742
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51 17F-1 0.18588 0.00000 -0.76769 0.13248 -0.04399
52 17F+2 0.00000 0.80358 0.00000 0.00000 0.00000
53 17F-2 0.00000 0.35089 0.00000 0.00000 0.00000
54 17F+3 -0.13051 0.00000 0.17881 0.02905 -0.22657
55 17F-3 0.40185 0.00000 -0.22982 0.46123 -0.50634
56 18F 0 0.00000 -0.25857 0.00000 0.00000 0.00000
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58 18F-1 -0.28070 0.00000 -0.01185 1.14642 -0.02663
59 18F+2 0.00000 -0.08838 0.00000 0.00000 0.00000
60 18F-2 0.00000 0.47362 0.00000 0.00000 0.00000
61 18F+3 -1.29497 0.00000 0.37089 0.21628 0.40941
62 18F-3 0.48854 0.00000 -0.10500 0.33948 0.27353
63 19G 0 0.02469 0.00000 0.02515 -0.00328 -0.02326
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65 19G-1 0.00000 0.00324 0.00000 0.00000 0.00000
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67 19G-2 -0.00667 0.00000 -0.01451 0.01686 0.00528
68 19G+3 0.00000 0.00119 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00191 0.00000 0.00000 0.00000
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71 19G-4 -0.02692 0.00000 -0.00132 0.01078 0.04100
72 20G 0 -0.28582 0.00000 -0.40539 -0.20594 0.32110
73 20G+1 0.00000 0.67796 0.00000 0.00000 0.00000
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75 20G+2 0.17368 0.00000 0.51687 0.19351 0.46195
76 20G-2 0.23486 0.00000 -0.30855 0.41420 -0.05639
77 20G+3 0.00000 0.11970 0.00000 0.00000 0.00000
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79 20G+4 0.03983 0.00000 0.39512 0.07705 -0.28092
80 20G-4 -0.09198 0.00000 0.29561 -0.18181 -0.12965
81 21H 0 0.00000 -0.01313 0.00000 0.00000 0.00000
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83 21H-1 -0.02633 0.00000 -0.00027 0.00030 0.01681
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87 21H-3 -0.04760 0.00000 0.06980 0.04037 0.03921
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91 21H-5 0.03513 0.00000 0.03273 -0.03048 -0.00622
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93 2S -0.00784 0.00000 0.00964 -0.00047 0.00862
94 3S 0.13668 0.00000 -0.22870 0.15959 0.01770
95 4S 0.20161 0.00000 -0.22910 0.29036 0.31557
96 5S 0.49361 0.00000 0.57473 -0.31802 -0.30055
97 6S -2.24800 0.00000 -4.32302 0.79485 -2.68439
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109 11PY -0.05044 0.00000 -1.20884 -0.21115 0.41718
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115 13PY -0.22305 0.00000 -0.05871 -0.13862 -0.27439
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136 17D-2 0.02587 0.00000 -0.01426 -0.02586 -0.00651
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143 18F-3 0.00614 0.00000 -0.41230 -0.45909 0.60680
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166 21G-4 0.41950 0.00000 -0.62431 -0.06476 -0.36660
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175 22G-4 -0.17361 0.00000 -0.04255 0.06955 0.23122
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297 5 H 1S -0.00087 -0.01773 0.00091 0.01857 0.00788
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299 3S -0.43350 -7.78830 2.57417 -3.44549 -3.25472
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389 13F+3 -0.00939 -0.00922 -0.00895 -0.00719 0.01686
390 13F-3 0.00443 -0.00992 0.00453 -0.00600 0.00899
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393 14F-1 -0.18007 -0.32617 0.42961 -0.00409 -0.22164
394 14F+2 -0.10766 -0.15183 0.43015 0.08529 0.42385
395 14F-2 0.01344 0.23788 -0.05621 0.22222 -0.08290
396 14F+3 0.10056 0.21461 0.05748 0.07319 -0.29332
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398 15G 0 0.00455 -0.00539 0.00437 -0.00781 -0.00426
399 15G+1 0.00805 -0.00011 -0.00792 -0.00510 -0.00509
400 15G-1 0.00094 -0.00747 0.01256 -0.00195 -0.01008
401 15G+2 -0.00491 -0.00951 0.01937 0.00189 0.00692
402 15G-2 -0.00070 0.01680 -0.00347 0.00740 -0.00040
403 15G+3 0.00313 0.00997 -0.00755 0.00358 -0.01115
404 15G-3 0.00138 -0.00239 -0.00583 -0.00667 0.00033
405 15G+4 -0.00258 -0.00199 -0.00052 -0.00154 0.00279
406 15G-4 0.00073 -0.00007 0.00399 0.00196 0.00501
196 197 198 199 200
V V V V V
Eigenvalues -- 5.29140 5.35043 5.36005 5.43152 5.44849
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212 11D+2 0.00000 0.01538 0.00000 -0.51455 0.00000
213 11D-2 0.00000 -0.22893 0.00000 -0.14452 0.00000
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279 13F+3 0.00000 0.00189 0.00000 0.02256 0.00000
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285 14F-2 -0.07877 0.00000 0.34335 0.00000 0.24579
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287 14F-3 0.00000 0.49052 0.00000 -0.41260 0.00000
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296 15G-4 0.00000 0.01269 0.00000 -0.01134 0.00000
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298 2S -0.09111 -0.01833 0.00720 -0.09952 0.04149
299 3S -2.80899 -1.30826 -2.12658 -5.42625 -2.39172
300 4S -1.74482 -1.79456 -0.13808 -1.95222 -0.25353
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328 12D-2 0.00062 -0.61895 -0.58032 0.09458 -0.22511
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330 13F+1 -0.01373 0.01314 0.01213 0.04536 0.00070
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332 13F+2 -0.00930 -0.00875 0.00804 -0.01333 0.00535
333 13F-2 0.00010 -0.00282 -0.01206 0.01255 -0.00060
334 13F+3 -0.00214 0.00043 0.01043 -0.01811 0.01189
335 13F-3 -0.00027 -0.01881 -0.01386 -0.01367 -0.00609
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338 14F-1 0.00059 0.05880 0.12253 -0.00577 0.04104
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340 14F-2 0.06164 0.15367 0.20440 -0.06382 0.06070
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342 14F-3 0.01066 0.24814 0.18592 0.14931 0.08185
343 15G 0 0.00741 -0.00134 0.00445 -0.00122 0.00339
344 15G+1 0.00227 0.00008 0.00509 0.01575 0.00313
345 15G-1 0.00481 -0.00111 0.00285 -0.00520 0.00381
346 15G+2 -0.00642 -0.00260 0.00132 0.00708 0.00170
347 15G-2 -0.00054 -0.00699 -0.00288 0.00407 -0.00013
348 15G+3 -0.00688 0.00209 0.00246 -0.00534 0.00124
349 15G-3 0.00148 -0.00828 -0.00576 0.00195 -0.00044
350 15G+4 -0.00363 0.00011 0.00233 -0.00204 -0.00117
351 15G-4 0.00071 -0.00451 -0.00212 -0.00034 -0.00019
352 6 H 1S -0.00685 0.00703 0.00638 0.01528 0.00461
353 2S 0.09111 -0.01833 -0.00720 -0.09952 -0.04149
354 3S 2.80899 -1.30826 2.12658 -5.42625 2.39172
355 4S 1.74482 -1.79456 0.13808 -1.95222 0.25353
356 5S 0.06610 -0.02495 0.30397 0.08361 0.11278
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373 10D-2 -0.01124 -0.04776 0.02178 0.02353 0.01247
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377 11D+2 -0.22820 0.17868 -0.17190 0.51592 -0.20633
378 11D-2 0.11915 0.29854 -0.13833 -0.20825 -0.05952
379 12D 0 -0.52450 -0.32430 -0.04116 0.34823 -0.10505
380 12D+1 -0.33337 -0.19882 0.00058 -0.50150 0.07616
381 12D-1 0.17253 0.08773 -0.28325 0.41314 0.07245
382 12D+2 0.48776 -0.45168 0.19514 -0.72926 0.12011
383 12D-2 -0.00062 -0.61895 0.58032 0.09458 0.22511
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386 13F-1 -0.00086 -0.00310 0.01046 0.01943 0.00215
387 13F+2 -0.00930 0.00875 0.00804 0.01333 0.00535
388 13F-2 0.00010 0.00282 -0.01206 -0.01255 -0.00060
389 13F+3 0.00214 0.00043 -0.01043 -0.01811 -0.01189
390 13F-3 0.00027 -0.01881 0.01386 -0.01367 0.00609
391 14F 0 -0.36994 -0.19417 -0.19493 0.23575 -0.23065
392 14F+1 -0.23444 -0.05844 0.09710 -0.50493 -0.02388
393 14F-1 -0.00059 0.05880 -0.12253 -0.00577 -0.04104
394 14F+2 0.15635 -0.16980 -0.05336 -0.04284 -0.05974
395 14F-2 0.06164 -0.15367 0.20440 0.06382 0.06070
396 14F+3 -0.04522 -0.02435 0.13044 0.17611 0.15514
397 14F-3 -0.01066 0.24814 -0.18592 0.14931 -0.08185
398 15G 0 -0.00741 -0.00134 -0.00445 -0.00122 -0.00339
399 15G+1 0.00227 -0.00008 0.00509 -0.01575 0.00313
400 15G-1 0.00481 0.00111 0.00285 0.00520 0.00381
401 15G+2 0.00642 -0.00260 -0.00132 0.00708 -0.00170
402 15G-2 0.00054 -0.00699 0.00288 0.00407 0.00013
403 15G+3 -0.00688 -0.00209 0.00246 0.00534 0.00124
404 15G-3 0.00148 0.00828 -0.00576 -0.00195 -0.00044
405 15G+4 0.00363 0.00011 -0.00233 -0.00204 0.00117
406 15G-4 -0.00071 -0.00451 0.00212 -0.00034 0.00019
201 202 203 204 205
V V V V V
Eigenvalues -- 5.46237 5.49195 5.52406 5.52426 5.56225
1 1 C 1S -0.00226 -0.00204 0.00000 -0.00425 0.00000
2 2S 0.04770 0.01580 0.00000 0.04179 0.00000
3 3S 0.36715 0.19085 0.00000 0.23815 0.00000
4 4S -2.73957 -3.27356 0.00000 -2.28953 0.00000
5 5S 1.59060 6.99600 0.00000 4.86240 0.00000
6 6S -2.14376 -0.94838 0.00000 -1.93078 0.00000
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13 9PX -0.79358 4.21694 0.00000 -3.74459 0.00000
14 9PY 0.60250 2.30346 0.00000 0.18570 0.00000
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17 10PY 1.93192 1.93524 0.00000 4.55488 0.00000
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30 13D+2 -0.53377 -0.02709 0.00000 -0.34044 0.00000
31 13D-2 -0.37593 -0.00375 0.00000 0.07596 0.00000
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33 14D+1 0.00000 0.00000 -0.24555 0.00000 1.77700
34 14D-1 0.00000 0.00000 -1.00865 0.00000 2.34328
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41 15D-2 0.02080 0.15972 0.00000 0.04825 0.00000
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46 16F-2 0.00000 0.00000 0.07129 0.00000 -0.05265
47 16F+3 0.02507 -0.00350 0.00000 0.03477 0.00000
48 16F-3 0.02645 -0.05132 0.00000 -0.02154 0.00000
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50 17F+1 0.09704 0.41337 0.00000 -0.05722 0.00000
51 17F-1 0.46309 -0.09079 0.00000 0.01320 0.00000
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53 17F-2 0.00000 0.00000 -0.61788 0.00000 0.76303
54 17F+3 -0.18416 0.23269 0.00000 -0.26086 0.00000
55 17F-3 -0.48934 0.51481 0.00000 0.25946 0.00000
56 18F 0 0.00000 0.00000 -1.22398 0.00000 0.39898
57 18F+1 0.73873 0.46274 0.00000 0.30197 0.00000
58 18F-1 -0.71262 1.11898 0.00000 0.39492 0.00000
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60 18F-2 0.00000 0.00000 0.03862 0.00000 -0.23415
61 18F+3 -0.69026 -1.87251 0.00000 -0.89946 0.00000
62 18F-3 0.49950 -0.09851 0.00000 -0.00586 0.00000
63 19G 0 0.03845 -0.01984 0.00000 -0.02005 0.00000
64 19G+1 0.00000 0.00000 0.03240 0.00000 -0.05622
65 19G-1 0.00000 0.00000 0.01381 0.00000 -0.01713
66 19G+2 -0.06260 0.03565 0.00000 0.03867 0.00000
67 19G-2 -0.00561 0.02692 0.00000 0.00789 0.00000
68 19G+3 0.00000 0.00000 0.04225 0.00000 0.03270
69 19G-3 0.00000 0.00000 0.01085 0.00000 -0.00972
70 19G+4 0.01962 -0.04834 0.00000 -0.00718 0.00000
71 19G-4 -0.05163 0.00758 0.00000 -0.03901 0.00000
72 20G 0 0.13792 -0.16716 0.00000 0.49327 0.00000
73 20G+1 0.00000 0.00000 0.39135 0.00000 0.37216
74 20G-1 0.00000 0.00000 -0.28471 0.00000 0.07138
75 20G+2 0.14157 0.28640 0.00000 -0.82074 0.00000
76 20G-2 0.00751 0.23967 0.00000 0.00825 0.00000
77 20G+3 0.00000 0.00000 -0.29131 0.00000 -0.19516
78 20G-3 0.00000 0.00000 -0.01527 0.00000 0.27003
79 20G+4 -0.03312 0.09330 0.00000 0.20801 0.00000
80 20G-4 0.26094 -0.20741 0.00000 0.39078 0.00000
81 21H 0 0.00000 0.00000 -0.00897 0.00000 0.01400
82 21H+1 0.00024 0.09101 0.00000 0.02518 0.00000
83 21H-1 0.02010 -0.02442 0.00000 0.00293 0.00000
84 21H+2 0.00000 0.00000 0.04509 0.00000 -0.04997
85 21H-2 0.00000 0.00000 0.05542 0.00000 0.02976
86 21H+3 0.01497 -0.03822 0.00000 0.01055 0.00000
87 21H-3 -0.00335 0.04346 0.00000 -0.01057 0.00000
88 21H+4 0.00000 0.00000 0.00618 0.00000 -0.02022
89 21H-4 0.00000 0.00000 -0.04830 0.00000 0.00916
90 21H+5 -0.01713 0.02651 0.00000 -0.01419 0.00000
91 21H-5 0.00536 0.00635 0.00000 0.04566 0.00000
92 2 S 1S 0.03414 0.03183 0.00000 0.01924 0.00000
93 2S -0.01444 -0.01458 0.00000 -0.00766 0.00000
94 3S 0.37959 0.33925 0.00000 0.22986 0.00000
95 4S 0.66035 0.37029 0.00000 0.68412 0.00000
96 5S -1.64057 0.89253 0.00000 -4.48736 0.00000
97 6S 4.36634 -1.61893 0.00000 12.03630 0.00000
98 7S 1.66891 -0.39938 0.00000 3.21463 0.00000
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206 207 208 209 210
V V V V V
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211 212 213 214 215
V V V V V
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213 11D-2 0.00000 -0.04314 0.00000 0.00000 -0.35851
214 12D 0 0.00000 0.53994 0.00000 0.00000 0.87459
215 12D+1 0.02914 0.00000 0.00780 0.01123 0.00000
216 12D-1 0.11124 0.00000 0.41225 -0.08452 0.00000
217 12D+2 0.00000 -0.23577 0.00000 0.00000 -1.00479
218 12D-2 0.00000 -0.10215 0.00000 0.00000 0.70539
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221 13F-1 0.00000 0.00314 0.00000 0.00000 0.00174
222 13F+2 0.02478 0.00000 -0.01301 -0.00645 0.00000
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225 13F-3 0.00000 -0.02416 0.00000 0.00000 0.01274
226 14F 0 -0.13354 0.00000 -0.01855 0.04371 0.00000
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236 15G+2 0.00000 0.01325 0.00000 0.00000 0.00547
237 15G-2 0.00000 -0.00063 0.00000 0.00000 -0.00646
238 15G+3 -0.01548 0.00000 0.01109 0.00674 0.00000
239 15G-3 0.00369 0.00000 0.00660 -0.00270 0.00000
240 15G+4 0.00000 -0.01340 0.00000 0.00000 -0.00446
241 15G-4 0.00000 0.00390 0.00000 0.00000 0.00203
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271 12D-1 -0.67894 0.00000 -0.74685 0.60045 0.00000
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276 13F-1 0.00000 0.00787 0.00000 0.00000 0.01898
277 13F+2 0.01440 0.00000 0.07066 0.00688 0.00000
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285 14F-2 -0.07510 0.00000 -0.07785 0.44760 0.00000
286 14F+3 0.00000 -0.50451 0.00000 0.00000 0.65924
287 14F-3 0.00000 0.39914 0.00000 0.00000 -0.01983
288 15G 0 0.00000 0.00138 0.00000 0.00000 -0.00827
289 15G+1 -0.00802 0.00000 0.01680 -0.00352 0.00000
290 15G-1 0.00046 0.00000 0.00007 0.00093 0.00000
291 15G+2 0.00000 0.00703 0.00000 0.00000 0.00419
292 15G-2 0.00000 -0.00004 0.00000 0.00000 -0.00189
293 15G+3 0.00551 0.00000 -0.00680 0.00839 0.00000
294 15G-3 0.00283 0.00000 0.00252 -0.01294 0.00000
295 15G+4 0.00000 -0.00228 0.00000 0.00000 0.00519
296 15G-4 0.00000 0.00649 0.00000 0.00000 -0.00364
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300 4S -4.08887 -3.12492 -2.23133 -7.00480 -2.96240
301 5S 0.30846 0.06446 0.06426 0.38998 0.00590
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326 12D-1 -0.18859 -0.67849 0.29258 -0.48497 -0.86111
327 12D+2 0.15465 0.35205 0.35380 -0.52866 -0.21818
328 12D-2 -0.24301 -0.20734 -0.72361 -0.03387 -0.25114
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331 13F-1 -0.00139 -0.00499 0.01286 0.02372 -0.04598
332 13F+2 0.04151 0.02376 0.01659 -0.00060 0.00349
333 13F-2 0.02717 0.02396 -0.00393 -0.00074 -0.00491
334 13F+3 -0.00409 -0.00646 0.02450 -0.00829 -0.00010
335 13F-3 0.01688 -0.00728 -0.01400 -0.03234 0.00571
336 14F 0 -0.31841 0.12661 0.92602 -0.11709 -0.04645
337 14F+1 -0.11243 -0.01411 -0.15184 -0.13349 -0.19642
338 14F-1 0.11910 0.15298 -0.04349 -0.03243 0.50218
339 14F+2 -0.24573 -0.29504 -0.24594 0.21307 0.00034
340 14F-2 -0.19305 -0.09130 0.03719 0.11823 0.03969
341 14F+3 0.09496 0.01776 -0.34456 0.17097 0.03343
342 14F-3 -0.15741 0.12525 0.13817 0.41047 -0.05597
343 15G 0 0.00629 0.00086 -0.02000 -0.00828 0.00496
344 15G+1 0.00523 0.00512 -0.00728 0.00537 -0.00692
345 15G-1 -0.00263 0.00069 -0.00909 -0.00010 -0.00200
346 15G+2 -0.00145 -0.00140 0.00862 -0.00738 0.00033
347 15G-2 0.00364 -0.00438 0.00322 0.00207 -0.00524
348 15G+3 -0.00664 0.00354 0.00255 -0.00660 0.00094
349 15G-3 0.00296 0.00080 0.00444 -0.00164 -0.00381
350 15G+4 -0.00467 0.00043 -0.00157 -0.00069 -0.00272
351 15G-4 0.00448 0.00267 0.00269 -0.00211 -0.00190
352 6 H 1S -0.00185 -0.00985 0.00278 -0.00318 -0.00589
353 2S -0.09737 0.04791 -0.09044 -0.07566 0.11427
354 3S 7.84396 -3.85062 4.11387 13.71231 1.05824
355 4S 4.08887 -3.12492 2.23133 7.00480 -2.96240
356 5S -0.30846 0.06446 -0.06426 -0.38998 0.00590
357 6PX -0.03831 -0.00325 -0.02042 -0.00114 0.01861
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361 7PY -0.10872 0.05117 -0.05551 -0.22906 -0.01474
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365 8PZ 2.65271 -1.87471 1.62089 6.42842 -0.30888
366 9PX -0.98077 0.39846 -0.37301 -1.52362 0.52407
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373 10D-2 0.04820 0.02552 0.05247 -0.06802 -0.03010
374 11D 0 -0.02147 0.04765 0.04422 0.63270 0.18339
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377 11D+2 0.40832 -0.19937 0.20390 0.21884 -0.09946
378 11D-2 -0.25958 -0.23201 -0.34000 0.53854 0.26064
379 12D 0 -0.00339 -0.47740 1.22714 0.79478 -0.45391
380 12D+1 -0.62587 0.38397 0.22452 -1.09804 0.22138
381 12D-1 -0.18859 0.67849 0.29258 -0.48497 0.86111
382 12D+2 -0.15465 0.35205 -0.35380 0.52866 -0.21818
383 12D-2 0.24301 -0.20734 0.72361 0.03387 -0.25114
384 13F 0 0.01665 0.01811 -0.05006 0.03537 -0.00684
385 13F+1 -0.02975 0.00898 -0.01856 -0.04364 0.02144
386 13F-1 0.00139 -0.00499 -0.01286 -0.02372 -0.04598
387 13F+2 0.04151 -0.02376 0.01659 -0.00060 -0.00349
388 13F-2 0.02717 -0.02396 -0.00393 -0.00074 0.00491
389 13F+3 0.00409 -0.00646 -0.02450 0.00829 -0.00010
390 13F-3 -0.01688 -0.00728 0.01400 0.03234 0.00571
391 14F 0 -0.31841 -0.12661 0.92602 -0.11709 0.04645
392 14F+1 0.11243 -0.01411 0.15184 0.13349 -0.19642
393 14F-1 -0.11910 0.15298 0.04349 0.03243 0.50218
394 14F+2 -0.24573 0.29504 -0.24594 0.21307 -0.00034
395 14F-2 -0.19305 0.09130 0.03719 0.11823 -0.03969
396 14F+3 -0.09496 0.01776 0.34456 -0.17097 0.03343
397 14F-3 0.15741 0.12525 -0.13817 -0.41047 -0.05597
398 15G 0 -0.00629 0.00086 0.02000 0.00828 0.00496
399 15G+1 0.00523 -0.00512 -0.00728 0.00537 0.00692
400 15G-1 -0.00263 -0.00069 -0.00909 -0.00010 0.00200
401 15G+2 0.00145 -0.00140 -0.00862 0.00738 0.00033
402 15G-2 -0.00364 -0.00438 -0.00322 -0.00207 -0.00524
403 15G+3 -0.00664 -0.00354 0.00255 -0.00660 -0.00094
404 15G-3 0.00296 -0.00080 0.00444 -0.00164 0.00381
405 15G+4 0.00467 0.00043 0.00157 0.00069 -0.00272
406 15G-4 -0.00448 0.00267 -0.00269 0.00211 -0.00190
216 217 218 219 220
V V V V V
Eigenvalues -- 5.85972 5.90810 5.95537 5.98566 6.05414
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2 2S -0.11646 0.00000 0.15905 0.12500 0.00000
3 3S -0.22690 0.00000 0.01452 0.36307 0.00000
4 4S 0.03621 0.00000 0.71184 -0.03873 0.00000
5 5S 3.53386 0.00000 -2.12612 -4.85917 0.00000
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11 8PY 0.29811 0.00000 -0.01710 0.30308 0.00000
12 8PZ 0.00000 -0.59113 0.00000 0.00000 -1.22797
13 9PX 11.82868 0.00000 10.79213 7.31653 0.00000
14 9PY 0.19379 0.00000 1.57936 -3.15097 0.00000
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30 13D+2 0.65986 0.00000 0.01000 0.68298 0.00000
31 13D-2 -0.45228 0.00000 0.03405 -0.56845 0.00000
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33 14D+1 0.00000 -1.26837 0.00000 0.00000 5.49090
34 14D-1 0.00000 0.66879 0.00000 0.00000 1.61223
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36 14D-2 4.25734 0.00000 2.99939 3.14035 0.00000
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40 15D+2 -2.03497 0.00000 -0.99424 -1.35175 0.00000
41 15D-2 1.03209 0.00000 0.68100 -0.22830 0.00000
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48 16F-3 0.08528 0.00000 -0.01547 0.00262 0.00000
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50 17F+1 0.51110 0.00000 0.42698 -0.31224 0.00000
51 17F-1 0.76541 0.00000 1.25885 0.70958 0.00000
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53 17F-2 0.00000 -0.34338 0.00000 0.00000 0.17045
54 17F+3 0.53168 0.00000 0.78844 0.26346 0.00000
55 17F-3 -0.86953 0.00000 -0.30061 -0.22277 0.00000
56 18F 0 0.00000 -1.28856 0.00000 0.00000 -0.73846
57 18F+1 0.20095 0.00000 0.97816 -0.90486 0.00000
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60 18F-2 0.00000 -1.12352 0.00000 0.00000 0.47027
61 18F+3 -0.11657 0.00000 1.45919 0.30993 0.00000
62 18F-3 -0.98795 0.00000 -1.18297 0.13004 0.00000
63 19G 0 -0.02232 0.00000 -0.00535 -0.00856 0.00000
64 19G+1 0.00000 -0.05011 0.00000 0.00000 0.02992
65 19G-1 0.00000 0.00113 0.00000 0.00000 0.04126
66 19G+2 0.01848 0.00000 0.02835 0.02250 0.00000
67 19G-2 -0.02077 0.00000 0.03995 0.01069 0.00000
68 19G+3 0.00000 -0.00187 0.00000 0.00000 -0.01314
69 19G-3 0.00000 -0.01238 0.00000 0.00000 0.00062
70 19G+4 -0.03057 0.00000 -0.02222 0.02933 0.00000
71 19G-4 -0.00691 0.00000 -0.00511 0.05617 0.00000
72 20G 0 -0.32337 0.00000 -0.53674 0.40337 0.00000
73 20G+1 0.00000 0.17526 0.00000 0.00000 -0.31400
74 20G-1 0.00000 -0.56500 0.00000 0.00000 -0.23308
75 20G+2 -0.25891 0.00000 -0.03458 -0.09049 0.00000
76 20G-2 0.42985 0.00000 0.49125 -0.18348 0.00000
77 20G+3 0.00000 -0.27381 0.00000 0.00000 0.75838
78 20G-3 0.00000 -0.02774 0.00000 0.00000 0.12853
79 20G+4 -0.04371 0.00000 -0.16843 -0.35971 0.00000
80 20G-4 0.50534 0.00000 0.44920 -0.45675 0.00000
81 21H 0 0.00000 -0.04376 0.00000 0.00000 -0.05497
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84 21H+2 0.00000 -0.01445 0.00000 0.00000 0.13451
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86 21H+3 -0.06421 0.00000 -0.00583 -0.03317 0.00000
87 21H-3 -0.03566 0.00000 0.02201 0.00711 0.00000
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89 21H-4 0.00000 -0.06216 0.00000 0.00000 0.02926
90 21H+5 0.00614 0.00000 0.01224 0.03786 0.00000
91 21H-5 -0.07609 0.00000 -0.02740 -0.06134 0.00000
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93 2S -0.00394 0.00000 0.00501 -0.00713 0.00000
94 3S -0.19308 0.00000 -0.03186 -0.25862 0.00000
95 4S -0.63574 0.00000 -0.20344 -1.12995 0.00000
96 5S 3.69727 0.00000 2.45193 4.50718 0.00000
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98 7S -3.85163 0.00000 -1.58473 -2.09852 0.00000
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212 11D+2 -0.04810 0.00000 0.38288 0.49764 0.00000
213 11D-2 0.01665 0.00000 -0.05714 0.18254 0.00000
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243 2S -0.19399 0.00000 -0.13141 -0.53362 0.00000
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245 4S 5.52398 0.00000 6.62740 5.35619 0.00000
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271 12D-1 0.00000 -0.53790 0.00000 0.00000 -0.58432
272 12D+2 0.73751 0.00000 1.21891 -0.06191 0.00000
273 12D-2 -0.19813 0.00000 -1.24531 -0.00930 0.00000
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276 13F-1 0.02116 0.00000 0.02199 0.02516 0.00000
277 13F+2 0.00000 -0.00673 0.00000 0.00000 0.02822
278 13F-2 0.00000 0.04895 0.00000 0.00000 0.04115
279 13F+3 0.02002 0.00000 0.00390 0.05055 0.00000
280 13F-3 0.00696 0.00000 0.02305 -0.07703 0.00000
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285 14F-2 0.00000 -0.50392 0.00000 0.00000 -0.75332
286 14F+3 0.02202 0.00000 0.10925 -0.41922 0.00000
287 14F-3 -0.25329 0.00000 -0.52673 0.61998 0.00000
288 15G 0 -0.00957 0.00000 0.00140 -0.00253 0.00000
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291 15G+2 0.01144 0.00000 -0.00093 0.00653 0.00000
292 15G-2 -0.00203 0.00000 0.00637 0.00564 0.00000
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294 15G-3 0.00000 -0.00104 0.00000 0.00000 -0.01597
295 15G+4 0.00227 0.00000 0.00060 0.00062 0.00000
296 15G-4 0.00629 0.00000 -0.00690 0.00724 0.00000
297 5 H 1S 0.00572 0.00493 0.00209 -0.00139 -0.00389
298 2S -0.09471 -0.02358 -0.26173 0.04729 0.31491
299 3S -5.04954 2.09485 -5.96235 -2.24774 -5.48205
300 4S -3.26188 1.08725 -0.49107 -1.01635 -2.70419
301 5S 0.20646 0.01486 0.04326 0.19767 0.12951
302 6PX 0.01884 0.00258 -0.00839 -0.00379 -0.04079
303 6PY -0.01866 -0.05923 0.01897 0.01454 0.02131
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306 7PY 0.13325 0.49338 -0.16752 -0.10747 -0.20441
307 7PZ -0.40354 0.01864 0.17338 0.36761 0.03676
308 8PX 1.71161 -0.42411 1.37233 1.28861 -0.12040
309 8PY 0.19497 -1.32296 1.02103 0.41307 1.27744
310 8PZ 2.63194 -0.57887 2.29251 0.20651 2.04946
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312 9PY 0.81515 -0.76526 0.20551 0.53065 1.45538
313 9PZ 1.43798 -0.41559 0.09437 -0.29497 0.57456
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317 10D+2 0.00266 -0.05096 0.01702 0.01067 0.04983
318 10D-2 -0.00382 0.00587 -0.00923 0.03533 -0.00118
319 11D 0 0.00851 0.11475 -0.55054 -0.23945 -0.25900
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321 11D-1 0.10982 0.09423 -0.26672 0.17309 -0.17705
322 11D+2 -0.05660 0.37324 -0.13749 -0.11807 -0.36395
323 11D-2 0.00896 -0.06127 0.00547 -0.31102 -0.03237
324 12D 0 -0.53979 0.17534 -0.10427 0.74418 0.43368
325 12D+1 -0.89131 -0.02158 -0.36514 0.10770 0.38439
326 12D-1 -0.21129 0.67315 -0.40011 0.29858 -0.55546
327 12D+2 0.39202 -0.05663 -0.14241 0.09332 0.81929
328 12D-2 0.03141 0.77250 0.49105 -0.68084 0.33963
329 13F 0 0.02219 0.01733 -0.00079 -0.01553 0.04202
330 13F+1 -0.00800 0.00534 -0.01242 0.03235 0.02366
331 13F-1 0.01335 0.01226 -0.03133 0.03383 0.01983
332 13F+2 0.03326 0.01757 -0.00854 0.02596 -0.00408
333 13F-2 0.01534 0.01543 0.03127 -0.01010 0.03669
334 13F+3 0.02724 0.01074 -0.01368 0.01877 -0.01053
335 13F-3 0.03152 0.03700 0.02040 -0.00978 0.01000
336 14F 0 -0.12285 -0.11891 0.06864 -0.04611 -0.49147
337 14F+1 0.34741 -0.02867 0.33379 -0.29100 -0.27103
338 14F-1 -0.15865 -0.31992 0.49185 -0.56619 -0.01201
339 14F+2 -0.20440 -0.11579 0.17339 -0.14268 -0.17632
340 14F-2 -0.12379 -0.33031 -0.24315 0.25667 -0.33443
341 14F+3 -0.21778 -0.08115 0.19247 -0.26725 0.04485
342 14F-3 -0.29227 -0.45358 -0.19256 0.20901 -0.17765
343 15G 0 0.00012 -0.00257 0.00277 0.00314 0.00356
344 15G+1 -0.00862 -0.00568 0.00200 0.00682 0.00897
345 15G-1 0.00115 0.00795 0.00039 0.01352 0.00395
346 15G+2 -0.00483 -0.00475 0.00093 -0.00789 0.00943
347 15G-2 -0.00135 0.00838 0.00087 0.00641 0.00005
348 15G+3 -0.00136 -0.00606 -0.00413 0.00683 0.00622
349 15G-3 -0.00093 0.00278 -0.00189 0.00085 0.00503
350 15G+4 0.00095 -0.00070 -0.00227 0.00281 -0.00336
351 15G-4 -0.00144 -0.00102 -0.00305 -0.00259 0.00260
352 6 H 1S 0.00572 -0.00493 0.00209 -0.00139 0.00389
353 2S -0.09471 0.02358 -0.26173 0.04729 -0.31491
354 3S -5.04954 -2.09485 -5.96235 -2.24774 5.48205
355 4S -3.26188 -1.08725 -0.49107 -1.01635 2.70419
356 5S 0.20646 -0.01486 0.04326 0.19767 -0.12951
357 6PX 0.01884 -0.00258 -0.00839 -0.00379 0.04079
358 6PY -0.01866 0.05923 0.01897 0.01454 -0.02131
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360 7PX -0.20187 -0.01291 0.02069 -0.01323 -0.33402
361 7PY 0.13325 -0.49338 -0.16752 -0.10747 0.20441
362 7PZ 0.40354 0.01864 -0.17338 -0.36761 0.03676
363 8PX 1.71161 0.42411 1.37233 1.28861 0.12040
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365 8PZ -2.63194 -0.57887 -2.29251 -0.20651 2.04946
366 9PX 0.46819 -0.11500 0.34814 0.47273 0.49091
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368 9PZ -1.43798 -0.41559 -0.09437 0.29497 0.57456
369 10D 0 -0.01095 0.01698 0.05648 0.02375 -0.01900
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373 10D-2 -0.00382 -0.00587 -0.00923 0.03533 0.00118
374 11D 0 0.00851 -0.11475 -0.55054 -0.23945 0.25900
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377 11D+2 -0.05660 -0.37324 -0.13749 -0.11807 0.36395
378 11D-2 0.00896 0.06127 0.00547 -0.31102 0.03237
379 12D 0 -0.53979 -0.17534 -0.10427 0.74418 -0.43368
380 12D+1 0.89131 -0.02158 0.36514 -0.10770 0.38439
381 12D-1 0.21129 0.67315 0.40011 -0.29858 -0.55546
382 12D+2 0.39202 0.05663 -0.14241 0.09332 -0.81929
383 12D-2 0.03141 -0.77250 0.49105 -0.68084 -0.33963
384 13F 0 -0.02219 0.01733 0.00079 0.01553 0.04202
385 13F+1 -0.00800 -0.00534 -0.01242 0.03235 -0.02366
386 13F-1 0.01335 -0.01226 -0.03133 0.03383 -0.01983
387 13F+2 -0.03326 0.01757 0.00854 -0.02596 -0.00408
388 13F-2 -0.01534 0.01543 -0.03127 0.01010 0.03669
389 13F+3 0.02724 -0.01074 -0.01368 0.01877 0.01053
390 13F-3 0.03152 -0.03700 0.02040 -0.00978 -0.01000
391 14F 0 0.12285 -0.11891 -0.06864 0.04611 -0.49147
392 14F+1 0.34741 0.02867 0.33379 -0.29100 0.27103
393 14F-1 -0.15865 0.31992 0.49185 -0.56619 0.01201
394 14F+2 0.20440 -0.11579 -0.17339 0.14268 -0.17632
395 14F-2 0.12379 -0.33031 0.24315 -0.25667 -0.33443
396 14F+3 -0.21778 0.08115 0.19247 -0.26725 -0.04485
397 14F-3 -0.29227 0.45358 -0.19256 0.20901 0.17765
398 15G 0 0.00012 0.00257 0.00277 0.00314 -0.00356
399 15G+1 0.00862 -0.00568 -0.00200 -0.00682 0.00897
400 15G-1 -0.00115 0.00795 -0.00039 -0.01352 0.00395
401 15G+2 -0.00483 0.00475 0.00093 -0.00789 -0.00943
402 15G-2 -0.00135 -0.00838 0.00087 0.00641 -0.00005
403 15G+3 0.00136 -0.00606 0.00413 -0.00683 0.00622
404 15G-3 0.00093 0.00278 0.00189 -0.00085 0.00503
405 15G+4 0.00095 0.00070 -0.00227 0.00281 0.00336
406 15G-4 -0.00144 0.00102 -0.00305 -0.00259 -0.00260
221 222 223 224 225
V V V V V
Eigenvalues -- 6.06128 6.09067 6.10199 6.13924 6.14180
1 1 C 1S 0.01231 0.02590 0.00000 0.00000 -0.00714
2 2S -0.02160 -0.00734 0.00000 0.00000 0.20441
3 3S 0.14548 0.60947 0.00000 0.00000 1.41484
4 4S -2.07017 -5.37482 0.00000 0.00000 -12.03105
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324 12D 0 1.05548 0.52727 -0.05388 0.27680 0.36700
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326 12D-1 -0.23478 0.30219 0.15022 0.11975 0.14529
327 12D+2 -0.15577 -0.16566 0.66895 -0.47736 -0.37685
328 12D-2 -0.42571 -0.08151 0.29212 -0.14458 0.36489
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330 13F+1 0.01612 0.03006 0.00958 -0.01770 0.06101
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332 13F+2 0.00958 0.00760 0.01432 0.00875 -0.01436
333 13F-2 0.01489 0.01691 0.01643 -0.02297 0.01235
334 13F+3 0.00796 -0.00694 0.00934 0.00616 -0.02551
335 13F-3 -0.00063 0.00053 0.01061 -0.00102 0.00231
336 14F 0 -0.06970 -0.03122 0.14615 -0.06353 -0.05097
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338 14F-1 -0.21736 -0.26775 0.05050 0.06902 0.11973
339 14F+2 -0.02096 -0.12802 -0.33244 0.05251 0.03983
340 14F-2 0.06294 -0.12098 -0.29163 0.27670 -0.12652
341 14F+3 -0.15615 0.02584 -0.12285 -0.01398 0.25651
342 14F-3 0.13337 0.01808 -0.21910 0.06617 -0.07489
343 15G 0 0.01012 0.00181 -0.00637 0.00638 -0.00065
344 15G+1 0.00881 0.00852 0.00057 -0.00017 0.00368
345 15G-1 0.00745 0.00438 -0.00374 0.00111 0.00289
346 15G+2 -0.00161 0.00174 0.00893 -0.00680 0.00757
347 15G-2 -0.00360 0.00089 0.00426 -0.00470 0.00980
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349 15G-3 -0.00477 0.00216 0.00564 -0.00723 0.00220
350 15G+4 0.00118 0.00369 -0.00615 0.00315 0.00176
351 15G-4 -0.00122 0.00170 0.00407 -0.00093 0.00159
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354 3S -3.49411 -1.77400 0.17876 -5.09594 -5.60284
355 4S -1.37567 -0.58615 0.12514 -2.35825 1.39554
356 5S -0.02460 0.23572 -0.12304 0.15888 0.02891
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379 12D 0 1.05548 0.52727 0.05388 -0.27680 0.36700
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381 12D-1 0.23478 -0.30219 0.15022 0.11975 -0.14529
382 12D+2 -0.15577 -0.16566 -0.66895 0.47736 -0.37685
383 12D-2 -0.42571 -0.08151 -0.29212 0.14458 0.36489
384 13F 0 0.02349 0.01208 0.00483 -0.01262 -0.00504
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386 13F-1 0.01725 0.02234 -0.00169 0.01976 -0.00114
387 13F+2 -0.00958 -0.00760 0.01432 0.00875 0.01436
388 13F-2 -0.01489 -0.01691 0.01643 -0.02297 -0.01235
389 13F+3 0.00796 -0.00694 -0.00934 -0.00616 -0.02551
390 13F-3 -0.00063 0.00053 -0.01061 0.00102 0.00231
391 14F 0 0.06970 0.03122 0.14615 -0.06353 0.05097
392 14F+1 -0.19013 -0.43908 0.15529 -0.18241 -0.75478
393 14F-1 -0.21736 -0.26775 -0.05050 -0.06902 0.11973
394 14F+2 0.02096 0.12802 -0.33244 0.05251 -0.03983
395 14F-2 -0.06294 0.12098 -0.29163 0.27670 0.12652
396 14F+3 -0.15615 0.02584 0.12285 0.01398 0.25651
397 14F-3 0.13337 0.01808 0.21910 -0.06617 -0.07489
398 15G 0 0.01012 0.00181 0.00637 -0.00638 -0.00065
399 15G+1 -0.00881 -0.00852 0.00057 -0.00017 -0.00368
400 15G-1 -0.00745 -0.00438 -0.00374 0.00111 -0.00289
401 15G+2 -0.00161 0.00174 -0.00893 0.00680 0.00757
402 15G-2 -0.00360 0.00089 -0.00426 0.00470 0.00980
403 15G+3 -0.00235 0.00140 0.00044 -0.00314 0.00527
404 15G-3 0.00477 -0.00216 0.00564 -0.00723 -0.00220
405 15G+4 0.00118 0.00369 0.00615 -0.00315 0.00176
406 15G-4 -0.00122 0.00170 -0.00407 0.00093 0.00159
226 227 228 229 230
V V V V V
Eigenvalues -- 6.18598 6.20232 6.22171 6.29578 6.37768
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13 9PX 6.03126 0.00000 7.21853 0.49641 0.00000
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26 12D-2 0.00755 0.00000 0.00791 -0.00717 0.00000
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30 13D+2 -0.05387 0.00000 -0.50442 -0.09294 0.00000
31 13D-2 -0.53107 0.00000 -0.11203 -0.04475 0.00000
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34 14D-1 0.00000 1.04443 0.00000 0.00000 0.99881
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36 14D-2 3.38928 0.00000 2.33556 -0.68911 0.00000
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41 15D-2 1.17431 0.00000 0.29038 0.23010 0.00000
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46 16F-2 0.00000 -0.02535 0.00000 0.00000 0.01569
47 16F+3 -0.01927 0.00000 -0.05169 0.00641 0.00000
48 16F-3 0.02420 0.00000 0.06830 -0.01457 0.00000
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50 17F+1 0.00998 0.00000 -0.30125 0.05420 0.00000
51 17F-1 0.28637 0.00000 0.04241 -0.30632 0.00000
52 17F+2 0.00000 0.28950 0.00000 0.00000 0.41918
53 17F-2 0.00000 0.48611 0.00000 0.00000 0.21224
54 17F+3 0.45167 0.00000 0.66309 0.23670 0.00000
55 17F-3 -0.33558 0.00000 -0.69219 0.11530 0.00000
56 18F 0 0.00000 1.03078 0.00000 0.00000 0.24644
57 18F+1 -0.50945 0.00000 0.24687 -0.19921 0.00000
58 18F-1 0.60250 0.00000 0.41201 -0.01382 0.00000
59 18F+2 0.00000 0.29093 0.00000 0.00000 0.31024
60 18F-2 0.00000 0.33289 0.00000 0.00000 1.03902
61 18F+3 0.43204 0.00000 0.81411 -0.07546 0.00000
62 18F-3 -0.38845 0.00000 -1.00614 -0.60737 0.00000
63 19G 0 -0.00565 0.00000 0.03641 -0.00956 0.00000
64 19G+1 0.00000 -0.04288 0.00000 0.00000 0.04930
65 19G-1 0.00000 -0.02026 0.00000 0.00000 0.04289
66 19G+2 0.01809 0.00000 0.02546 0.08151 0.00000
67 19G-2 0.01516 0.00000 -0.05776 -0.01219 0.00000
68 19G+3 0.00000 0.02180 0.00000 0.00000 -0.00086
69 19G-3 0.00000 0.01177 0.00000 0.00000 0.03914
70 19G+4 -0.02813 0.00000 0.03630 0.02544 0.00000
71 19G-4 0.02424 0.00000 0.01472 0.04072 0.00000
72 20G 0 -0.43191 0.00000 -0.23394 -0.09177 0.00000
73 20G+1 0.00000 0.59739 0.00000 0.00000 0.43841
74 20G-1 0.00000 0.33715 0.00000 0.00000 -0.24231
75 20G+2 0.13804 0.00000 0.47648 -0.25399 0.00000
76 20G-2 -0.23021 0.00000 -0.26859 0.07500 0.00000
77 20G+3 0.00000 -0.24726 0.00000 0.00000 -0.50400
78 20G-3 0.00000 -0.08224 0.00000 0.00000 -0.20884
79 20G+4 0.29811 0.00000 -0.20969 -0.16331 0.00000
80 20G-4 0.09804 0.00000 0.67424 -0.16367 0.00000
81 21H 0 0.00000 -0.01850 0.00000 0.00000 0.11448
82 21H+1 0.00544 0.00000 0.05830 0.00455 0.00000
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84 21H+2 0.00000 -0.01924 0.00000 0.00000 0.03982
85 21H-2 0.00000 0.01844 0.00000 0.00000 0.05971
86 21H+3 -0.01219 0.00000 0.04408 0.10057 0.00000
87 21H-3 0.04861 0.00000 0.02326 0.01438 0.00000
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89 21H-4 0.00000 0.05591 0.00000 0.00000 -0.02204
90 21H+5 -0.05109 0.00000 -0.07915 0.06796 0.00000
91 21H-5 0.02857 0.00000 -0.03902 -0.00069 0.00000
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93 2S -0.00374 0.00000 -0.00162 -0.00973 0.00000
94 3S 0.58327 0.00000 1.60693 0.83085 0.00000
95 4S 1.36337 0.00000 4.26922 2.14956 0.00000
96 5S -2.12254 0.00000 -8.72311 -4.81195 0.00000
97 6S 2.59016 0.00000 10.57428 6.43981 0.00000
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120 14D+2 -0.14461 0.00000 -2.23134 -0.03039 0.00000
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124 15D-1 0.00000 -0.17681 0.00000 0.00000 0.23169
125 15D+2 -0.06601 0.00000 0.04257 0.99001 0.00000
126 15D-2 -0.37595 0.00000 -0.70302 0.02580 0.00000
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129 16D-1 0.00000 0.07383 0.00000 0.00000 -0.05682
130 16D+2 0.09867 0.00000 0.04290 -0.22982 0.00000
131 16D-2 0.05335 0.00000 0.17513 0.00736 0.00000
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134 17D-1 0.00000 0.02709 0.00000 0.00000 -0.01294
135 17D+2 0.05158 0.00000 0.05414 0.03286 0.00000
136 17D-2 -0.02477 0.00000 -0.00645 -0.01445 0.00000
137 18F 0 0.00000 -0.28929 0.00000 0.00000 0.29249
138 18F+1 -0.03604 0.00000 -0.28806 -0.29503 0.00000
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145 19F+1 -0.76784 0.00000 -0.38725 -0.30973 0.00000
146 19F-1 0.15482 0.00000 -0.32988 -0.20252 0.00000
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148 19F-2 0.00000 -0.80512 0.00000 0.00000 -0.18460
149 19F+3 -1.44060 0.00000 0.42936 0.57174 0.00000
150 19F-3 -0.60633 0.00000 -1.07434 -0.40594 0.00000
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157 20F-3 0.11889 0.00000 0.20201 0.18820 0.00000
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160 21G-1 0.00000 -0.05422 0.00000 0.00000 0.19769
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166 21G-4 -0.92752 0.00000 -0.31726 0.13695 0.00000
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174 22G+4 0.18194 0.00000 0.25482 -0.16538 0.00000
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180 23H-2 0.00000 0.44823 0.00000 0.00000 0.02612
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351 15G-4 -0.00091 0.00246 0.00190 -0.00090 0.00451
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390 13F-3 -0.00104 -0.00486 0.00652 -0.00001 0.01325
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395 14F-2 0.11173 -0.02417 0.04794 -0.08963 0.24272
396 14F+3 -0.00512 -0.04281 0.08988 -0.06326 0.32694
397 14F-3 -0.01889 0.06291 -0.06333 -0.13215 -0.19898
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400 15G-1 0.00142 -0.00467 -0.00146 0.00744 0.00592
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406 15G-4 -0.00091 -0.00246 0.00190 -0.00090 -0.00451
231 232 233 234 235
V V V V V
Eigenvalues -- 6.38151 6.42290 6.42343 6.49309 6.57781
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395 14F-2 0.30799 0.36717 0.12315 0.22970 0.06210
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398 15G 0 -0.00639 -0.00571 0.00131 -0.00595 -0.00318
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406 15G-4 0.00190 0.00133 0.00529 0.00330 -0.00700
236 237 238 239 240
V V V V V
Eigenvalues -- 6.58942 6.63542 6.75594 6.83633 6.85457
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13 9PX 2.81116 0.68022 6.26431 1.63672 0.00000
14 9PY 2.90804 4.12190 2.40661 7.99230 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 11.22743
16 10PX -0.15557 1.88012 4.47369 -1.57502 0.00000
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390 13F-3 -0.00341 -0.00386 0.01994 0.01758 -0.02248
391 14F 0 -0.05236 -0.09473 0.03873 0.05414 0.22201
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393 14F-1 0.12809 -0.60982 -0.06885 -0.05485 0.47588
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395 14F-2 -0.10863 0.00859 0.37941 0.25942 -0.17675
396 14F+3 -0.06144 -0.14927 0.32376 0.16549 0.17322
397 14F-3 0.04285 0.11787 -0.36049 -0.37346 0.26328
398 15G 0 -0.00770 -0.00531 0.00312 0.00374 -0.00115
399 15G+1 0.00472 -0.00323 0.00411 0.01183 -0.02199
400 15G-1 -0.00015 -0.00521 0.00700 0.00204 0.00804
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406 15G-4 0.00108 -0.00525 0.00255 -0.00181 -0.01000
241 242 243 244 245
V V V V V
Eigenvalues -- 6.88738 6.99515 7.06431 7.09926 7.15980
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406 15G-4 -0.00186 -0.01509 -0.00196 0.00833 0.00152
246 247 248 249 250
V V V V V
Eigenvalues -- 7.19308 7.20601 7.46817 7.47983 7.59188
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300 4S -9.21323 -4.90551 -3.08850 6.44341 4.92038
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339 14F+2 -0.14522 -0.43427 0.34337 -0.59136 0.61762
340 14F-2 0.37057 -0.24089 -0.12254 0.25868 -0.49183
341 14F+3 -0.12198 -0.15683 0.11448 -0.23462 0.38834
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343 15G 0 0.02241 -0.00817 -0.00251 0.00633 -0.02243
344 15G+1 0.00563 -0.01118 -0.00144 0.01605 -0.00436
345 15G-1 0.00221 -0.00823 -0.01173 0.00759 0.02577
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347 15G-2 -0.01828 -0.00485 -0.00825 0.01602 0.01985
348 15G+3 0.00792 0.00401 -0.01095 0.01982 -0.01406
349 15G-3 -0.00652 0.00860 0.00809 0.01748 0.00081
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351 15G-4 0.00332 0.00222 -0.00107 0.00425 0.00407
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353 2S 0.23842 -0.19520 0.39043 1.06933 1.02460
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355 4S 9.21323 -4.90551 -3.08850 -6.44341 -4.92038
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381 12D-1 -0.92440 0.85913 -0.16167 -0.38276 2.16103
382 12D+2 -0.18847 1.16865 -0.21460 -0.69509 1.05607
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388 13F-2 0.01140 -0.01225 -0.00701 -0.02488 0.01039
389 13F+3 0.00177 -0.00464 0.00495 -0.00148 0.02346
390 13F-3 -0.00639 0.01396 0.00005 0.00509 -0.00247
391 14F 0 -0.54737 -0.27388 -0.09860 -0.50590 0.19872
392 14F+1 0.27554 -0.19443 0.40923 0.72910 -0.05712
393 14F-1 0.14448 0.42168 -0.12653 -0.17166 0.53221
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395 14F-2 0.37057 0.24089 0.12254 0.25868 -0.49183
396 14F+3 0.12198 -0.15683 0.11448 0.23462 -0.38834
397 14F-3 -0.11558 -0.37545 0.05755 0.09515 0.03798
398 15G 0 -0.02241 -0.00817 -0.00251 -0.00633 0.02243
399 15G+1 0.00563 0.01118 0.00144 0.01605 -0.00436
400 15G-1 0.00221 0.00823 0.01173 0.00759 0.02577
401 15G+2 0.00004 0.02749 -0.01214 -0.01481 0.01813
402 15G-2 0.01828 -0.00485 -0.00825 -0.01602 -0.01985
403 15G+3 0.00792 -0.00401 0.01095 0.01982 -0.01406
404 15G-3 -0.00652 -0.00860 -0.00809 0.01748 0.00081
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406 15G-4 -0.00332 0.00222 -0.00107 -0.00425 -0.00407
251 252 253 254 255
V V V V V
Eigenvalues -- 7.63280 7.64785 7.65112 7.66316 7.68213
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10 8PX -0.48714 -0.17706 0.00000 -0.36677 0.00000
11 8PY 0.71757 -1.20142 0.00000 -0.50407 0.00000
12 8PZ 0.00000 0.00000 0.30172 0.00000 0.27848
13 9PX 7.05598 0.89416 0.00000 12.16684 0.00000
14 9PY -3.86661 6.54824 0.00000 3.65680 0.00000
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347 15G-2 -0.01678 0.01545 0.01402 -0.01290 0.00486
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390 13F-3 0.00947 -0.00437 0.02387 0.00730 0.00077
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392 14F+1 -0.12887 0.18187 0.06089 0.31995 0.09364
393 14F-1 0.24684 -0.31709 0.50201 -0.20860 0.06222
394 14F+2 0.31450 -0.48815 0.55511 -0.63113 -0.10536
395 14F-2 -0.58319 0.37587 0.20079 -0.25681 0.00556
396 14F+3 -0.29102 0.33122 -0.17359 0.10208 0.05463
397 14F-3 0.13616 -0.00614 -0.27046 0.26391 0.06760
398 15G 0 0.01218 -0.00843 -0.03031 0.01000 0.00060
399 15G+1 -0.01704 0.02119 0.01020 0.00131 0.00430
400 15G-1 -0.00781 -0.00224 0.01212 -0.00861 0.00294
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402 15G-2 -0.01678 0.01545 -0.01402 -0.01290 -0.00486
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404 15G-3 0.01856 -0.00231 -0.00377 0.01693 0.00438
405 15G+4 0.00355 -0.00470 0.01086 0.00518 -0.00156
406 15G-4 0.00127 -0.00286 -0.00026 -0.00735 -0.00223
256 257 258 259 260
V V V V V
Eigenvalues -- 7.82551 8.15022 8.17421 8.18222 9.01536
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31 13D-2 -0.22584 0.25171 0.00000 0.68438 0.05144
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55 17F-3 1.30295 -0.06875 0.00000 0.01734 0.37583
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62 18F-3 1.11236 0.31154 0.00000 0.00569 0.64389
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71 19G-4 0.02939 -0.03993 0.00000 0.19246 -0.06113
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351 15G-4 -0.00070 0.00021 -0.00646 0.00105 -0.02445
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355 4S 1.25068 -4.14599 10.95628 -6.01647 -3.00094
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390 13F-3 -0.00572 -0.00632 -0.01540 -0.00630 0.02848
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395 14F-2 0.17274 -0.18385 0.53317 -0.10351 -0.02183
396 14F+3 0.19578 0.07995 -0.15340 -0.34818 -0.02345
397 14F-3 -0.00090 -0.00239 -0.17446 -0.07291 -0.17092
398 15G 0 0.00284 0.00594 -0.02895 -0.00353 0.00711
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400 15G-1 -0.00502 0.02216 -0.01016 0.03674 0.02013
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404 15G-3 -0.00366 0.00275 -0.03165 -0.01321 0.02328
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406 15G-4 -0.00070 0.00021 0.00646 0.00105 -0.02445
261 262 263 264 265
V V V V V
Eigenvalues -- 9.10695 9.10968 9.23689 9.30038 9.41318
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406 15G-4 -0.01234 -0.01147 0.02831 -0.04158 -0.01543
266 267 268 269 270
V V V V V
Eigenvalues -- 9.52730 9.54559 9.59982 9.60834 9.69355
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390 13F-3 -0.03367 0.01228 -0.00754 -0.00647 0.01568
391 14F 0 -0.37038 -0.08342 0.01567 0.05087 -0.09063
392 14F+1 -0.07012 -0.31777 0.06989 -0.18857 0.13342
393 14F-1 -0.27182 -0.19737 -0.02941 -0.08121 0.21375
394 14F+2 0.12674 -0.09882 0.01293 -0.02789 -0.16125
395 14F-2 -0.18360 0.20946 -0.12546 0.07842 -0.38495
396 14F+3 -0.28398 0.11556 -0.04818 0.04326 -0.02524
397 14F-3 0.15255 0.08123 0.04234 0.05642 0.23717
398 15G 0 0.01925 0.01311 0.00414 0.01215 0.03427
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400 15G-1 0.00216 0.00112 -0.02865 0.00022 0.01695
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402 15G-2 0.00178 -0.01254 0.00830 -0.02247 -0.03037
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404 15G-3 0.00975 0.01328 -0.00785 0.00659 0.04079
405 15G+4 0.00503 0.02644 0.00843 0.01131 0.04343
406 15G-4 0.01718 -0.01787 -0.01797 -0.00463 -0.01443
271 272 273 274 275
V V V V V
Eigenvalues -- 9.75157 9.86139 9.88702 9.99034 10.03342
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55 17F-3 0.49553 0.00000 1.18576 0.54793 0.00000
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71 19G-4 0.10354 0.00000 0.10736 0.21672 0.00000
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78 20G-3 0.00000 0.08879 0.00000 0.00000 0.00576
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390 13F-3 -0.00198 0.05411 -0.04073 0.04974 0.02655
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392 14F+1 -0.20646 -0.18555 0.49419 0.15377 0.11569
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395 14F-2 0.00511 0.28251 -0.03729 -0.26280 0.08832
396 14F+3 0.10135 0.15623 0.04336 -0.04892 0.17396
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398 15G 0 0.00651 -0.01509 -0.05885 0.09240 -0.00715
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400 15G-1 0.03653 0.04710 0.04803 -0.06588 -0.03595
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406 15G-4 0.02036 0.00411 0.01976 -0.02629 -0.04116
276 277 278 279 280
V V V V V
Eigenvalues -- 10.06072 10.18494 10.35247 10.38417 10.41506
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71 19G-4 0.25583 0.00700 0.00000 -0.28604 -0.37107
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225 13F-3 -0.02411 -0.03090 0.00000 0.00997 0.00257
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300 4S -0.36231 -1.29803 -3.98873 -1.08394 -3.39446
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327 12D+2 0.11479 -0.04273 -0.86064 -0.33218 0.48411
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331 13F-1 -0.06149 0.02534 0.09323 -0.10585 0.04592
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333 13F-2 0.05485 0.01568 -0.05295 0.05067 0.08285
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335 13F-3 0.04807 -0.03142 0.02428 0.07298 0.05981
336 14F 0 -0.08438 0.16630 0.03162 0.46492 0.05061
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340 14F-2 0.05357 -0.07719 0.10260 -0.14016 0.12366
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342 14F-3 0.01802 -0.05254 0.25024 0.03186 -0.04008
343 15G 0 0.03764 -0.00719 -0.04756 -0.06407 0.02951
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345 15G-1 0.04620 -0.00956 -0.07630 0.01513 -0.01363
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347 15G-2 -0.01422 -0.00994 0.01156 0.02560 -0.03668
348 15G+3 0.02123 -0.00390 -0.06870 -0.03420 0.07013
349 15G-3 -0.03542 0.01368 -0.02422 -0.08019 -0.03644
350 15G+4 0.02165 -0.00540 -0.02580 0.00283 0.02439
351 15G-4 -0.00674 0.00509 -0.07021 -0.00755 0.01146
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353 2S 0.37185 0.09851 -0.59524 0.04432 0.78084
354 3S -0.30167 -3.63581 5.89963 -2.15220 -4.91110
355 4S -0.36231 -1.29803 3.98873 -1.08394 -3.39446
356 5S 0.01671 -0.29734 -0.00230 0.01001 -0.12542
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381 12D-1 0.31303 -0.03700 -0.13729 -0.48672 0.99573
382 12D+2 0.11479 -0.04273 0.86064 -0.33218 0.48411
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384 13F 0 0.05573 0.01039 0.05361 0.01529 0.07438
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388 13F-2 -0.05485 -0.01568 -0.05295 -0.05067 -0.08285
389 13F+3 -0.03281 -0.00539 -0.06813 -0.02541 -0.06550
390 13F-3 0.04807 -0.03142 -0.02428 0.07298 0.05981
391 14F 0 0.08438 -0.16630 0.03162 -0.46492 -0.05061
392 14F+1 -0.06845 0.32375 -0.02599 -0.01716 0.09379
393 14F-1 0.06682 -0.04945 -0.10704 0.09592 0.19706
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395 14F-2 -0.05357 0.07719 0.10260 0.14016 -0.12366
396 14F+3 -0.00276 0.03490 -0.19116 0.06212 -0.11971
397 14F-3 0.01802 -0.05254 -0.25024 0.03186 -0.04008
398 15G 0 0.03764 -0.00719 0.04756 -0.06407 0.02951
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400 15G-1 -0.04620 0.00956 -0.07630 -0.01513 0.01363
401 15G+2 -0.00881 -0.00394 0.00869 -0.09079 0.07254
402 15G-2 -0.01422 -0.00994 -0.01156 0.02560 -0.03668
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404 15G-3 0.03542 -0.01368 -0.02422 0.08019 0.03644
405 15G+4 0.02165 -0.00540 0.02580 0.00283 0.02439
406 15G-4 -0.00674 0.00509 0.07021 -0.00755 0.01146
281 282 283 284 285
V V V V V
Eigenvalues -- 10.46430 10.49558 10.51881 10.77305 10.79157
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2 2S 0.00000 0.00000 -0.01308 0.00000 -0.01410
3 3S 0.00000 0.00000 -0.06300 0.00000 -0.07471
4 4S 0.00000 0.00000 0.72981 0.00000 0.37200
5 5S 0.00000 0.00000 -2.16818 0.00000 -2.16863
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11 8PY 0.00000 0.00000 0.37022 0.00000 -0.41817
12 8PZ 0.21191 0.28867 0.00000 1.26769 0.00000
13 9PX 0.00000 0.00000 1.87802 0.00000 0.96295
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15 9PZ 0.59092 0.36077 0.00000 2.45233 0.00000
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31 13D-2 0.00000 0.00000 0.00164 0.00000 0.22454
32 14D 0 0.00000 0.00000 0.70463 0.00000 4.38188
33 14D+1 -0.02876 -0.22831 0.00000 5.49387 0.00000
34 14D-1 1.15776 1.50270 0.00000 0.96240 0.00000
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395 14F-2 -0.06807 0.05564 0.06715 0.10396 -0.08475
396 14F+3 -0.08650 0.09815 -0.00784 0.11717 0.15142
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398 15G 0 -0.05377 0.12276 0.03245 0.06294 0.08290
399 15G+1 -0.02164 -0.08364 0.02345 -0.01481 -0.03235
400 15G-1 0.03981 -0.01023 -0.01212 0.01044 -0.02656
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402 15G-2 -0.01515 -0.03337 0.00949 0.00679 -0.01419
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406 15G-4 0.01366 -0.00807 -0.01019 -0.02300 0.00843
286 287 288 289 290
V V V V V
Eigenvalues -- 10.93055 11.06925 11.12277 11.17531 11.49330
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53 17F-2 0.00000 0.77763 0.00000 0.00000 0.00000
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55 17F-3 1.18065 0.00000 -0.01175 0.49399 -0.74848
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280 13F-3 -0.02273 0.00000 -0.02346 0.11462 -0.20901
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287 14F-3 -0.18609 0.00000 -0.10825 -0.47590 0.16067
288 15G 0 -0.02478 0.00000 0.06560 -0.03166 0.06265
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292 15G-2 -0.03013 0.00000 0.01966 0.01521 0.00356
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294 15G-3 0.00000 -0.02789 0.00000 0.00000 0.00000
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296 15G-4 0.00398 0.00000 -0.00125 -0.00065 -0.14066
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298 2S 0.37247 0.56937 0.40741 -0.05996 -0.88567
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300 4S -0.78251 -3.68209 -1.98666 1.13207 -4.26787
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327 12D+2 -0.44379 -0.21543 -0.05402 -0.62380 0.25125
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330 13F+1 -0.02661 -0.01838 -0.07502 -0.09053 0.19365
331 13F-1 -0.01850 0.02602 -0.01509 0.04954 0.15656
332 13F+2 -0.01806 -0.11343 -0.04470 -0.04886 0.05869
333 13F-2 0.02747 -0.02926 0.05260 0.02339 0.13787
334 13F+3 0.00133 -0.07462 -0.02031 -0.00990 0.02140
335 13F-3 -0.04436 -0.01988 0.02847 -0.02364 0.02528
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339 14F+2 0.24870 0.24681 0.11128 0.42489 -0.13439
340 14F-2 -0.06166 0.00401 -0.23721 -0.12449 -0.12737
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343 15G 0 -0.01569 0.03877 0.00950 -0.03339 0.03154
344 15G+1 -0.05161 -0.04614 -0.02550 -0.00993 -0.03894
345 15G-1 -0.01679 0.00458 0.00575 -0.02918 -0.07704
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347 15G-2 -0.05135 0.02021 -0.00253 0.00202 -0.06464
348 15G+3 -0.01429 0.05092 0.01282 -0.04549 0.01787
349 15G-3 -0.01051 0.01422 0.00453 -0.02394 0.01081
350 15G+4 -0.01374 0.00020 0.00168 0.00141 0.01813
351 15G-4 0.00614 0.02454 -0.02794 -0.00223 -0.02572
352 6 H 1S -0.21963 0.16160 -0.08302 0.01453 -0.17507
353 2S 0.37247 -0.56937 0.40741 -0.05996 -0.88567
354 3S -3.72671 6.39976 -3.85359 0.52218 -5.18445
355 4S -0.78251 3.68209 -1.98666 1.13207 -4.26787
356 5S -0.14950 0.19748 -0.10940 0.01326 0.22481
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379 12D 0 -0.54437 0.23957 -1.04149 -0.19061 0.14490
380 12D+1 0.19984 -0.77229 0.22357 0.43417 -0.32433
381 12D-1 -0.54169 -0.14433 -0.15918 -0.77807 -0.02153
382 12D+2 -0.44379 0.21543 -0.05402 -0.62380 0.25125
383 12D-2 0.28833 0.19191 0.31729 0.25520 -0.10526
384 13F 0 0.02293 -0.01637 0.14721 -0.01768 -0.01857
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387 13F+2 0.01806 -0.11343 0.04470 0.04886 -0.05869
388 13F-2 -0.02747 -0.02926 -0.05260 -0.02339 -0.13787
389 13F+3 0.00133 0.07462 -0.02031 -0.00990 0.02140
390 13F-3 -0.04436 0.01988 0.02847 -0.02364 0.02528
391 14F 0 -0.28340 -0.01315 -0.50389 -0.11726 0.08168
392 14F+1 0.14107 -0.32419 0.31332 0.19735 -0.35118
393 14F-1 -0.06582 0.14670 -0.00646 -0.21766 -0.23304
394 14F+2 -0.24870 0.24681 -0.11128 -0.42489 0.13439
395 14F-2 0.06166 0.00401 0.23721 0.12449 0.12737
396 14F+3 0.15274 -0.03286 0.12475 0.16903 -0.04884
397 14F-3 0.00417 -0.01100 -0.09129 0.09232 -0.03397
398 15G 0 -0.01569 -0.03877 0.00950 -0.03339 0.03154
399 15G+1 0.05161 -0.04614 0.02550 0.00993 0.03894
400 15G-1 0.01679 0.00458 -0.00575 0.02918 0.07704
401 15G+2 -0.03837 0.00289 -0.00734 -0.03360 -0.00521
402 15G-2 -0.05135 -0.02021 -0.00253 0.00202 -0.06464
403 15G+3 0.01429 0.05092 -0.01282 0.04549 -0.01787
404 15G-3 0.01051 0.01422 -0.00453 0.02394 -0.01081
405 15G+4 -0.01374 -0.00020 0.00168 0.00141 0.01813
406 15G-4 0.00614 -0.02454 -0.02794 -0.00223 -0.02572
291 292 293 294 295
V V V V V
Eigenvalues -- 11.49985 11.54563 11.57304 11.60372 11.80398
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3 3S 0.00000 -3.18779 0.00000 -1.02076 0.00000
4 4S 0.00000 14.14612 0.00000 4.43900 0.00000
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11 8PY 0.00000 2.59106 0.00000 0.55300 0.00000
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68 19G+3 -0.00112 0.00000 0.29034 0.00000 0.10584
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78 20G-3 0.83376 0.00000 0.37594 0.00000 -1.05085
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296 297 298 299 300
V V V V V
Eigenvalues -- 11.87976 12.56911 12.57632 12.61406 12.62927
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301 302 303 304 305
V V V V V
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267 11D+2 0.00000 0.00000 -0.08386 0.00000 0.14330
268 11D-2 0.00000 0.00000 -0.07505 0.00000 -0.16790
269 12D 0 0.00000 0.00000 0.03104 0.00000 -0.10931
270 12D+1 -0.03351 -0.02814 0.00000 -0.33474 0.00000
271 12D-1 -0.04462 0.06040 0.00000 0.17827 0.00000
272 12D+2 0.00000 0.00000 -0.07964 0.00000 0.04221
273 12D-2 0.00000 0.00000 -0.13664 0.00000 -0.17804
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276 13F-1 0.00000 0.00000 -0.04448 0.00000 -0.07117
277 13F+2 0.23076 -0.04406 0.00000 0.20807 0.00000
278 13F-2 -0.05065 -0.07330 0.00000 -0.16692 0.00000
279 13F+3 0.00000 0.00000 0.01562 0.00000 -0.00303
280 13F-3 0.00000 0.00000 0.00211 0.00000 0.04226
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284 14F+2 -0.14540 0.04636 0.00000 -0.21782 0.00000
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286 14F+3 0.00000 0.00000 -0.06767 0.00000 -0.00490
287 14F-3 0.00000 0.00000 -0.06902 0.00000 -0.13579
288 15G 0 0.00000 0.00000 0.02286 0.00000 -0.45157
289 15G+1 0.28109 -0.08205 0.00000 -0.04094 0.00000
290 15G-1 0.15336 -0.10840 0.00000 -0.28688 0.00000
291 15G+2 0.00000 0.00000 0.03057 0.00000 -0.30141
292 15G-2 0.00000 0.00000 -0.01660 0.00000 0.32154
293 15G+3 0.23524 -0.08334 0.00000 -0.04547 0.00000
294 15G-3 -0.12003 -0.00728 0.00000 -0.17623 0.00000
295 15G+4 0.00000 0.00000 -0.01273 0.00000 0.03296
296 15G-4 0.00000 0.00000 -0.00621 0.00000 0.03893
297 5 H 1S 0.00633 -0.00014 0.00433 0.06874 -0.02113
298 2S 0.01017 -0.01698 -0.03412 -0.27563 0.05360
299 3S 0.18541 0.38099 -0.18554 1.23694 -0.75750
300 4S 0.13750 0.21488 -0.12405 0.51904 -0.21507
301 5S -0.01500 -0.01245 0.01179 0.01756 0.02379
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312 9PY 0.00313 -0.00304 0.07755 -0.10177 0.10980
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316 10D-1 -0.01559 0.02114 0.00038 -0.01534 0.01072
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318 10D-2 0.04462 -0.01637 -0.01032 -0.00786 -0.02907
319 11D 0 0.01371 0.01118 -0.01599 0.20451 0.07585
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321 11D-1 0.00369 0.01268 -0.01573 0.13180 -0.05072
322 11D+2 0.02948 -0.01099 0.01151 -0.03215 -0.05106
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326 12D-1 -0.01052 0.02291 -0.05909 0.16429 0.05254
327 12D+2 0.03149 -0.00015 0.04764 -0.10697 -0.07680
328 12D-2 -0.08615 0.03213 0.01815 -0.08946 -0.23529
329 13F 0 -0.00399 -0.01179 -0.01867 0.06413 0.07606
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331 13F-1 -0.01780 0.01560 -0.02170 0.10519 0.08330
332 13F+2 -0.19427 0.09495 -0.04941 -0.01644 0.06419
333 13F-2 -0.01563 -0.00730 0.00079 0.00858 -0.10328
334 13F+3 0.29786 -0.07903 0.05632 -0.09300 -0.08028
335 13F-3 0.07957 -0.06538 0.02982 -0.07920 -0.11205
336 14F 0 0.02740 -0.00508 0.02092 -0.11737 -0.15803
337 14F+1 -0.05227 0.01633 -0.04387 -0.10981 0.05900
338 14F-1 -0.00216 -0.01995 0.02934 -0.16654 -0.11344
339 14F+2 0.06277 -0.03000 -0.00344 0.05984 0.02173
340 14F-2 0.03285 -0.00399 -0.00859 -0.01555 0.15654
341 14F+3 -0.17776 0.04991 -0.02940 0.06260 0.01714
342 14F-3 -0.02654 0.02964 -0.02548 0.07003 0.13389
343 15G 0 0.02801 0.00974 -0.00096 0.05613 0.01004
344 15G+1 -0.13574 0.04812 -0.00382 0.03144 0.00369
345 15G-1 0.10356 -0.08393 -0.00247 -0.08123 -0.02940
346 15G+2 0.21682 -0.13569 -0.01017 -0.11523 0.07589
347 15G-2 0.05532 0.04475 0.00765 0.17175 -0.03870
348 15G+3 -0.04419 0.14462 0.04048 0.25284 -0.16748
349 15G-3 -0.18273 0.05318 -0.00950 0.01657 -0.11666
350 15G+4 -0.21812 -0.01149 -0.02926 -0.18843 0.02598
351 15G-4 -0.05691 -0.06822 -0.02442 -0.16368 0.31531
352 6 H 1S -0.00633 0.00014 0.00433 -0.06874 -0.02113
353 2S -0.01017 0.01698 -0.03412 0.27563 0.05360
354 3S -0.18541 -0.38099 -0.18554 -1.23694 -0.75750
355 4S -0.13750 -0.21488 -0.12405 -0.51904 -0.21507
356 5S 0.01500 0.01245 0.01179 -0.01756 0.02379
357 6PX 0.01230 -0.01100 -0.00122 -0.01367 -0.01636
358 6PY 0.00072 0.00704 -0.00334 -0.00197 -0.00312
359 6PZ 0.01085 0.00228 0.00294 0.03481 0.02150
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361 7PY 0.01497 0.00610 -0.00355 0.00968 0.01735
362 7PZ -0.00514 0.00936 -0.01335 0.00744 -0.07275
363 8PX 0.02520 0.07195 -0.05530 -0.06090 0.62270
364 8PY -0.08155 0.06028 0.07483 0.23025 0.27345
365 8PZ -0.08918 -0.16880 -0.09244 -0.78633 0.10260
366 9PX -0.07093 0.11278 -0.05723 -0.04059 0.29799
367 9PY -0.00313 0.00304 0.07755 0.10177 0.10980
368 9PZ -0.06556 -0.11936 -0.08090 -0.38834 0.10223
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372 10D+2 -0.00818 0.01046 0.00033 0.00812 0.00673
373 10D-2 -0.04462 0.01637 -0.01032 0.00786 -0.02907
374 11D 0 -0.01371 -0.01118 -0.01599 -0.20451 0.07585
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376 11D-1 0.00369 0.01268 0.01573 0.13180 0.05072
377 11D+2 -0.02948 0.01099 0.01151 0.03215 -0.05106
378 11D-2 0.04283 -0.01546 0.00723 -0.02158 -0.10383
379 12D 0 -0.00555 -0.05172 -0.02565 -0.28508 0.29183
380 12D+1 0.01960 0.03485 -0.05189 0.02336 0.18120
381 12D-1 -0.01052 0.02291 0.05909 0.16429 -0.05254
382 12D+2 -0.03149 0.00015 0.04764 0.10697 -0.07680
383 12D-2 0.08615 -0.03213 0.01815 0.08946 -0.23529
384 13F 0 -0.00399 -0.01179 0.01867 0.06413 -0.07606
385 13F+1 -0.07680 0.01297 0.03589 -0.08627 -0.09811
386 13F-1 0.01780 -0.01560 -0.02170 -0.10519 0.08330
387 13F+2 -0.19427 0.09495 0.04941 -0.01644 -0.06419
388 13F-2 -0.01563 -0.00730 -0.00079 0.00858 0.10328
389 13F+3 -0.29786 0.07903 0.05632 0.09300 -0.08028
390 13F-3 -0.07957 0.06538 0.02982 0.07920 -0.11205
391 14F 0 0.02740 -0.00508 -0.02092 -0.11737 0.15803
392 14F+1 0.05227 -0.01633 -0.04387 0.10981 0.05900
393 14F-1 0.00216 0.01995 0.02934 0.16654 -0.11344
394 14F+2 0.06277 -0.03000 0.00344 0.05984 -0.02173
395 14F-2 0.03285 -0.00399 0.00859 -0.01555 -0.15654
396 14F+3 0.17776 -0.04991 -0.02940 -0.06260 0.01714
397 14F-3 0.02654 -0.02964 -0.02548 -0.07003 0.13389
398 15G 0 -0.02801 -0.00974 -0.00096 -0.05613 0.01004
399 15G+1 -0.13574 0.04812 0.00382 0.03144 -0.00369
400 15G-1 0.10356 -0.08393 0.00247 -0.08123 0.02940
401 15G+2 -0.21682 0.13569 -0.01017 0.11523 0.07589
402 15G-2 -0.05532 -0.04475 0.00765 -0.17175 -0.03870
403 15G+3 -0.04419 0.14462 -0.04048 0.25284 0.16748
404 15G-3 -0.18273 0.05318 0.00950 0.01657 0.11666
405 15G+4 0.21812 0.01149 -0.02926 0.18843 0.02598
406 15G-4 0.05691 0.06822 -0.02442 0.16368 0.31531
306 307 308 309 310
V V V V V
Eigenvalues -- 12.74827 12.75445 12.76334 12.77778 12.80132
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2 2S 0.00000 0.00000 -0.00282 0.00000 -0.03545
3 3S 0.00000 0.00000 -0.01663 0.00000 -0.31744
4 4S 0.00000 0.00000 -0.18153 0.00000 0.44950
5 5S 0.00000 0.00000 1.06781 0.00000 3.81627
6 6S 0.00000 0.00000 0.30569 0.00000 0.26120
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11 8PY 0.00000 0.00000 0.02758 0.00000 -0.21599
12 8PZ 0.29568 0.14791 0.00000 0.08142 0.00000
13 9PX 0.00000 0.00000 0.38804 0.00000 -0.15976
14 9PY 0.00000 0.00000 0.06173 0.00000 2.14448
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18 10PZ 0.19175 0.06221 0.00000 0.04209 0.00000
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21 11PZ -0.02494 -0.00351 0.00000 -0.01208 0.00000
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26 12D-2 0.00000 0.00000 0.21216 0.00000 -0.05493
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30 13D+2 0.00000 0.00000 0.08085 0.00000 0.32742
31 13D-2 0.00000 0.00000 -0.25413 0.00000 0.07300
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33 14D+1 0.86553 0.19578 0.00000 0.08091 0.00000
34 14D-1 -0.08112 -0.03101 0.00000 0.49158 0.00000
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36 14D-2 0.00000 0.00000 -0.28415 0.00000 -0.12383
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52 17F+2 0.02982 -0.40265 0.00000 -0.35750 0.00000
53 17F-2 0.37989 0.02380 0.00000 0.35678 0.00000
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55 17F-3 0.00000 0.00000 0.40967 0.00000 0.07001
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58 18F-1 0.00000 0.00000 -0.02964 0.00000 0.17430
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60 18F-2 0.01422 -0.05328 0.00000 0.10784 0.00000
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62 18F-3 0.00000 0.00000 0.06457 0.00000 0.05034
63 19G 0 0.00000 0.00000 -0.01241 0.00000 0.02063
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65 19G-1 0.07440 0.04278 0.00000 0.02730 0.00000
66 19G+2 0.00000 0.00000 0.01683 0.00000 0.02786
67 19G-2 0.00000 0.00000 -0.01545 0.00000 0.02421
68 19G+3 -0.06142 -0.02543 0.00000 0.03551 0.00000
69 19G-3 0.06863 -0.00609 0.00000 0.02162 0.00000
70 19G+4 0.00000 0.00000 0.01615 0.00000 0.03644
71 19G-4 0.00000 0.00000 -0.07576 0.00000 -0.00443
72 20G 0 0.00000 0.00000 0.03625 0.00000 -0.16863
73 20G+1 -0.14508 -0.04071 0.00000 -0.15351 0.00000
74 20G-1 -0.14858 0.19379 0.00000 -0.05804 0.00000
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76 20G-2 0.00000 0.00000 0.06478 0.00000 0.24042
77 20G+3 0.13923 0.12476 0.00000 -0.32395 0.00000
78 20G-3 -0.04123 -0.26568 0.00000 -0.05802 0.00000
79 20G+4 0.00000 0.00000 -0.17974 0.00000 -0.22722
80 20G-4 0.00000 0.00000 0.07610 0.00000 -0.10058
81 21H 0 -0.09040 -0.00083 0.00000 -0.03319 0.00000
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85 21H-2 -0.00157 0.00365 0.00000 0.00483 0.00000
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88 21H+4 -0.04103 -0.03760 0.00000 -0.03367 0.00000
89 21H-4 0.06715 0.00466 0.00000 0.05597 0.00000
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95 4S 0.00000 0.00000 -0.00607 0.00000 -0.07328
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97 6S 0.00000 0.00000 0.25293 0.00000 0.25470
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126 15D-2 0.00000 0.00000 -0.03226 0.00000 -0.03284
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128 16D+1 0.01875 -0.00819 0.00000 0.03145 0.00000
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130 16D+2 0.00000 0.00000 -0.03683 0.00000 0.04695
131 16D-2 0.00000 0.00000 0.00794 0.00000 0.02445
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136 17D-2 0.00000 0.00000 0.00487 0.00000 -0.00873
137 18F 0 0.05963 0.00113 0.00000 0.05584 0.00000
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139 18F-1 0.00000 0.00000 0.00911 0.00000 0.02050
140 18F+2 0.10386 0.00568 0.00000 0.08165 0.00000
141 18F-2 0.06789 -0.02177 0.00000 -0.02921 0.00000
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143 18F-3 0.00000 0.00000 -0.03391 0.00000 -0.14337
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147 19F+2 -0.04487 -0.02296 0.00000 -0.00733 0.00000
148 19F-2 0.04929 0.01325 0.00000 -0.12379 0.00000
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150 19F-3 0.00000 0.00000 -0.04125 0.00000 -0.11812
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156 20F+3 0.00000 0.00000 -0.02858 0.00000 -0.00868
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160 21G-1 -0.02328 0.00212 0.00000 0.06771 0.00000
161 21G+2 0.00000 0.00000 -0.03113 0.00000 0.07912
162 21G-2 0.00000 0.00000 -0.01589 0.00000 0.01469
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355 4S 0.02069 0.06848 -0.22578 -0.10723 -0.29113
356 5S 0.01376 -0.00059 -0.00439 0.01224 -0.03453
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397 14F-3 0.02452 0.00526 -0.02529 -0.00810 -0.11290
398 15G 0 0.07373 -0.00201 -0.05116 0.05096 -0.01756
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400 15G-1 0.00410 0.10463 -0.00814 -0.06888 -0.02596
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404 15G-3 0.14306 0.27114 -0.35380 0.13590 0.07071
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406 15G-4 0.08055 0.33055 -0.26225 0.26222 0.16908
311 312 313 314 315
V V V V V
Eigenvalues -- 12.81806 12.89839 12.91241 12.93428 12.93653
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54 17F+3 -0.38758 0.00000 -0.08408 0.15573 0.00000
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381 12D-1 -0.04628 -0.00738 -0.13108 0.24802 0.13556
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390 13F-3 -0.08629 0.00364 -0.29349 0.33053 -0.41130
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392 14F+1 -0.09622 0.24910 0.22151 0.01622 0.13499
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394 14F+2 0.02121 -0.15360 0.13094 0.03094 0.09811
395 14F-2 0.12660 0.07115 -0.07785 -0.25698 0.13393
396 14F+3 -0.02731 -0.20353 0.26529 0.07557 0.00908
397 14F-3 0.01730 -0.01901 0.15510 -0.19451 0.24150
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399 15G+1 -0.00614 0.03655 -0.03080 0.05667 0.06790
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403 15G+3 -0.16425 -0.09137 -0.04590 -0.10568 0.04921
404 15G-3 0.07528 0.10782 -0.01340 0.03879 0.02170
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406 15G-4 -0.05524 -0.04316 -0.08188 -0.02096 0.06613
316 317 318 319 320
V V V V V
Eigenvalues -- 12.95494 12.96737 12.99348 13.00170 13.05757
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285 14F-2 0.00000 -0.02448 0.00000 0.08050 0.13302
286 14F+3 0.27395 0.00000 -0.23041 0.00000 0.00000
287 14F-3 -0.16907 0.00000 -0.02359 0.00000 0.00000
288 15G 0 0.01270 0.00000 -0.13309 0.00000 0.00000
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290 15G-1 0.00000 0.03707 0.00000 0.03934 0.13625
291 15G+2 -0.02563 0.00000 0.01672 0.00000 0.00000
292 15G-2 0.01204 0.00000 0.12644 0.00000 0.00000
293 15G+3 0.00000 -0.05733 0.00000 -0.07573 -0.15905
294 15G-3 0.00000 0.04713 0.00000 0.08824 0.24740
295 15G+4 0.04589 0.00000 -0.02035 0.00000 0.00000
296 15G-4 -0.02509 0.00000 0.06446 0.00000 0.00000
297 5 H 1S -0.12506 0.03735 -0.13564 -0.03293 0.04183
298 2S 0.61459 -0.34618 0.16390 0.19166 -0.22525
299 3S -2.92109 2.48401 -3.09912 -0.92419 0.74637
300 4S -1.65158 1.45541 0.19243 -0.79629 0.66588
301 5S 0.05178 -0.04956 -0.04647 -0.03851 0.01881
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303 6PY -0.00299 0.00384 -0.00669 -0.00767 0.00143
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306 7PY -0.04519 0.04944 0.02511 -0.03224 0.02152
307 7PZ -0.09793 0.06339 0.06425 -0.03308 0.06554
308 8PX 1.33594 -0.36930 0.49096 0.23071 -0.41950
309 8PY 0.35530 -0.12025 -0.01243 0.21722 -0.11089
310 8PZ 0.89477 -1.03876 0.60214 0.42428 -0.33605
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312 9PY 0.33192 -0.12625 -0.07747 0.21617 -0.15059
313 9PZ 0.57219 -0.53545 -0.10013 0.30621 -0.32577
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322 11D+2 -0.13729 0.05021 -0.06785 -0.01107 0.05487
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326 12D-1 -0.16601 0.02578 0.19204 -0.12750 0.10735
327 12D+2 -0.23055 0.10145 -0.09019 -0.03744 0.08192
328 12D-2 -0.18591 0.03809 0.06232 -0.10810 0.03389
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330 13F+1 -0.13855 0.09102 0.13403 0.00734 0.13610
331 13F-1 -0.02671 0.06723 0.11739 -0.09627 -0.17470
332 13F+2 -0.04785 -0.08065 -0.04535 -0.06098 -0.22799
333 13F-2 0.05767 -0.32235 -0.22817 0.02731 0.13391
334 13F+3 0.03327 -0.18256 -0.23877 0.05326 0.24808
335 13F-3 -0.18147 0.41261 0.32234 0.01057 0.18691
336 14F 0 -0.15451 -0.04931 0.06361 0.04203 -0.00309
337 14F+1 0.21676 -0.08439 -0.12318 0.03146 -0.15748
338 14F-1 0.06069 -0.04936 -0.14712 0.09855 0.06534
339 14F+2 0.15627 0.00421 0.04576 0.04742 0.07552
340 14F-2 0.08665 0.19768 0.07840 0.01953 -0.12418
341 14F+3 0.00593 0.06575 0.15079 -0.02917 -0.17056
342 14F-3 0.16318 -0.23890 -0.18637 0.01388 -0.13290
343 15G 0 0.04197 0.01374 0.04348 0.01148 0.00439
344 15G+1 0.00652 0.00806 -0.04749 0.04067 0.12412
345 15G-1 -0.01075 0.00466 -0.04206 -0.08564 -0.16496
346 15G+2 -0.08957 0.02430 -0.05473 -0.08850 -0.15740
347 15G-2 -0.06054 -0.02347 0.08186 0.00813 0.07424
348 15G+3 0.00586 0.01083 0.06508 0.03175 0.04178
349 15G-3 0.05690 -0.03730 -0.02655 0.01269 0.03739
350 15G+4 0.02583 -0.02372 -0.00514 0.04844 0.06945
351 15G-4 -0.12297 -0.02730 -0.07447 0.10517 0.24435
352 6 H 1S -0.12506 -0.03735 -0.13564 0.03293 -0.04183
353 2S 0.61459 0.34618 0.16390 -0.19166 0.22525
354 3S -2.92109 -2.48401 -3.09912 0.92419 -0.74637
355 4S -1.65158 -1.45541 0.19243 0.79629 -0.66588
356 5S 0.05178 0.04956 -0.04647 0.03851 -0.01881
357 6PX -0.00763 -0.00247 -0.01714 0.00584 0.01603
358 6PY -0.00299 -0.00384 -0.00669 0.00767 -0.00143
359 6PZ 0.00414 -0.00462 0.03086 0.00370 0.00827
360 7PX -0.08218 -0.04893 0.04343 0.03034 -0.01326
361 7PY -0.04519 -0.04944 0.02511 0.03224 -0.02152
362 7PZ 0.09793 0.06339 -0.06425 -0.03308 0.06554
363 8PX 1.33594 0.36930 0.49096 -0.23071 0.41950
364 8PY 0.35530 0.12025 -0.01243 -0.21722 0.11089
365 8PZ -0.89477 -1.03876 -0.60214 0.42428 -0.33605
366 9PX 0.65241 0.27000 0.09291 -0.24172 0.19360
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368 9PZ -0.57219 -0.53545 0.10013 0.30621 -0.32577
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371 10D-1 -0.02882 -0.00894 0.03941 0.02142 0.03891
372 10D+2 -0.00160 0.02172 0.01997 -0.00155 -0.01615
373 10D-2 -0.01760 0.03531 -0.04192 0.02561 0.09360
374 11D 0 -0.00439 -0.18183 -0.03877 0.07786 -0.00198
375 11D+1 0.31868 0.03982 0.08674 -0.04795 0.12456
376 11D-1 0.07936 0.00284 -0.07904 -0.04907 -0.00819
377 11D+2 -0.13729 -0.05021 -0.06785 0.01107 -0.05487
378 11D-2 -0.10705 0.01582 0.02584 -0.00753 -0.10686
379 12D 0 -0.00362 -0.24819 0.08785 0.10549 -0.07874
380 12D+1 0.52633 0.13004 -0.09206 -0.10907 0.22125
381 12D-1 0.16601 0.02578 -0.19204 -0.12750 0.10735
382 12D+2 -0.23055 -0.10145 -0.09019 0.03744 -0.08192
383 12D-2 -0.18591 -0.03809 0.06232 0.10810 -0.03389
384 13F 0 -0.13809 -0.04929 0.09285 -0.00384 0.04737
385 13F+1 -0.13855 -0.09102 0.13403 -0.00734 -0.13610
386 13F-1 -0.02671 -0.06723 0.11739 0.09627 0.17470
387 13F+2 0.04785 -0.08065 0.04535 -0.06098 -0.22799
388 13F-2 -0.05767 -0.32235 0.22817 0.02731 0.13391
389 13F+3 0.03327 0.18256 -0.23877 -0.05326 -0.24808
390 13F-3 -0.18147 -0.41261 0.32234 -0.01057 -0.18691
391 14F 0 0.15451 -0.04931 -0.06361 0.04203 -0.00309
392 14F+1 0.21676 0.08439 -0.12318 -0.03146 0.15748
393 14F-1 0.06069 0.04936 -0.14712 -0.09855 -0.06534
394 14F+2 -0.15627 0.00421 -0.04576 0.04742 0.07552
395 14F-2 -0.08665 0.19768 -0.07840 0.01953 -0.12418
396 14F+3 0.00593 -0.06575 0.15079 0.02917 0.17056
397 14F-3 0.16318 0.23890 -0.18637 -0.01388 0.13290
398 15G 0 0.04197 -0.01374 0.04348 -0.01148 -0.00439
399 15G+1 -0.00652 0.00806 0.04749 0.04067 0.12412
400 15G-1 0.01075 0.00466 0.04206 -0.08564 -0.16496
401 15G+2 -0.08957 -0.02430 -0.05473 0.08850 0.15740
402 15G-2 -0.06054 0.02347 0.08186 -0.00813 -0.07424
403 15G+3 -0.00586 0.01083 -0.06508 0.03175 0.04178
404 15G-3 -0.05690 -0.03730 0.02655 0.01269 0.03739
405 15G+4 0.02583 0.02372 -0.00514 -0.04844 -0.06945
406 15G-4 -0.12297 0.02730 -0.07447 -0.10517 -0.24435
321 322 323 324 325
V V V V V
Eigenvalues -- 13.09812 13.12101 13.14460 13.19906 13.31042
1 1 C 1S 0.00361 0.00000 -0.00240 0.00324 0.00220
2 2S -0.03135 0.00000 -0.00696 -0.03906 -0.02293
3 3S -0.33524 0.00000 0.00741 -0.81150 -0.09690
4 4S 1.42328 0.00000 0.60099 5.37287 0.50968
5 5S 0.55848 0.00000 -3.57733 -3.83172 -1.92493
6 6S 0.74820 0.00000 -1.14489 2.44441 -0.36836
7 7PX -0.25878 0.00000 -0.18399 0.08561 0.01043
8 7PY -0.23573 0.00000 0.27009 -0.61095 0.11748
9 7PZ 0.00000 -0.41094 0.00000 0.00000 0.00000
10 8PX 1.07065 0.00000 0.76995 -0.39331 -0.23685
11 8PY 0.94908 0.00000 -1.04566 2.41637 -0.37396
12 8PZ 0.00000 1.72733 0.00000 0.00000 0.00000
13 9PX 2.52399 0.00000 1.49591 -0.37178 -0.87846
14 9PY -1.41506 0.00000 2.04763 -4.55772 0.35475
15 9PZ 0.00000 3.47154 0.00000 0.00000 0.00000
16 10PX 1.66759 0.00000 -0.14423 -0.87613 -0.82455
17 10PY -0.90763 0.00000 1.87902 -3.08549 -0.13064
18 10PZ 0.00000 1.78520 0.00000 0.00000 0.00000
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20 11PY 0.01468 0.00000 0.12220 -0.20019 0.04846
21 11PZ 0.00000 0.23574 0.00000 0.00000 0.00000
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25 12D+2 0.00142 0.00000 0.48315 -1.11698 0.06385
26 12D-2 -0.57028 0.00000 -0.30585 0.04395 0.31032
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28 13D+1 0.00000 1.42154 0.00000 0.00000 0.00000
29 13D-1 0.00000 1.75455 0.00000 0.00000 0.00000
30 13D+2 -0.09562 0.00000 -1.03174 1.90755 -0.04086
31 13D-2 1.05146 0.00000 0.59307 -0.11872 -0.66001
32 14D 0 0.44833 0.00000 0.07699 -1.07525 -0.06119
33 14D+1 0.00000 0.33088 0.00000 0.00000 0.00000
34 14D-1 0.00000 0.02946 0.00000 0.00000 0.00000
35 14D+2 -1.02216 0.00000 1.40744 -0.77983 0.22601
36 14D-2 0.00527 0.00000 0.05918 0.03885 0.45637
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40 15D+2 -0.49987 0.00000 0.69594 -0.44478 -0.16609
41 15D-2 0.03486 0.00000 0.43817 0.15238 0.42682
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44 16F-1 -0.11099 0.00000 0.08158 0.07872 0.10059
45 16F+2 0.00000 0.22345 0.00000 0.00000 0.00000
46 16F-2 0.00000 -0.12772 0.00000 0.00000 0.00000
47 16F+3 0.13333 0.00000 0.10963 -0.05905 -0.21833
48 16F-3 0.08903 0.00000 0.16982 0.02414 -0.04684
49 17F 0 0.00000 -0.25078 0.00000 0.00000 0.00000
50 17F+1 -0.04811 0.00000 -0.10944 0.35290 0.03468
51 17F-1 0.52724 0.00000 -0.13120 -0.39604 -0.29830
52 17F+2 0.00000 -0.39638 0.00000 0.00000 0.00000
53 17F-2 0.00000 0.66869 0.00000 0.00000 0.00000
54 17F+3 -0.21243 0.00000 -0.09083 0.03289 0.39225
55 17F-3 -0.42085 0.00000 -0.35189 -0.16908 0.20628
56 18F 0 0.00000 -0.03857 0.00000 0.00000 0.00000
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58 18F-1 -0.04605 0.00000 -0.58291 -0.36884 0.06331
59 18F+2 0.00000 -0.11467 0.00000 0.00000 0.00000
60 18F-2 0.00000 -0.26560 0.00000 0.00000 0.00000
61 18F+3 0.19254 0.00000 -0.01935 0.33124 0.53203
62 18F-3 0.13678 0.00000 -0.08796 -0.12713 -0.20063
63 19G 0 -0.05979 0.00000 0.02035 -0.06474 0.02838
64 19G+1 0.00000 0.01766 0.00000 0.00000 0.00000
65 19G-1 0.00000 -0.16038 0.00000 0.00000 0.00000
66 19G+2 -0.00851 0.00000 0.00736 -0.15688 0.00546
67 19G-2 -0.04444 0.00000 -0.03760 0.01264 0.01983
68 19G+3 0.00000 -0.00289 0.00000 0.00000 0.00000
69 19G-3 0.00000 -0.14066 0.00000 0.00000 0.00000
70 19G+4 -0.02875 0.00000 0.10878 -0.17596 0.02586
71 19G-4 -0.10001 0.00000 -0.08295 0.00331 0.08067
72 20G 0 0.14452 0.00000 -0.20736 0.24142 -0.10248
73 20G+1 0.00000 -0.14768 0.00000 0.00000 0.00000
74 20G-1 0.00000 0.39532 0.00000 0.00000 0.00000
75 20G+2 -0.03019 0.00000 -0.11291 0.61470 0.09937
76 20G-2 -0.03787 0.00000 0.14101 -0.47802 -0.13811
77 20G+3 0.00000 -0.17144 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.34045 0.00000 0.00000 0.00000
79 20G+4 0.25284 0.00000 -0.36485 0.53369 -0.13796
80 20G-4 0.34410 0.00000 0.20803 0.18776 -0.37695
81 21H 0 0.00000 0.14756 0.00000 0.00000 0.00000
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83 21H-1 0.04130 0.00000 0.01057 -0.12542 -0.08342
84 21H+2 0.00000 -0.05084 0.00000 0.00000 0.00000
85 21H-2 0.00000 -0.07167 0.00000 0.00000 0.00000
86 21H+3 0.08599 0.00000 0.05177 0.13290 -0.04651
87 21H-3 -0.06555 0.00000 0.04453 -0.02275 0.11071
88 21H+4 0.00000 0.06357 0.00000 0.00000 0.00000
89 21H-4 0.00000 0.06985 0.00000 0.00000 0.00000
90 21H+5 -0.01751 0.00000 0.05989 -0.05514 -0.01645
91 21H-5 -0.08534 0.00000 0.10778 -0.10454 -0.03160
92 2 S 1S -0.00754 0.00000 -0.00598 0.00701 -0.01052
93 2S -0.01362 0.00000 0.01896 -0.02567 -0.00433
94 3S -0.12009 0.00000 -0.13578 0.18680 -0.17988
95 4S -0.32011 0.00000 -0.24150 0.58871 -0.37359
96 5S -0.08118 0.00000 -1.57300 -0.14718 -0.65788
97 6S 1.74446 0.00000 4.26703 -1.18286 2.69667
98 7S 0.41000 0.00000 1.64900 -0.67102 0.74307
99 8PX -0.00444 0.00000 -0.01422 0.00117 -0.00290
100 8PY -0.01087 0.00000 0.04818 -0.03053 0.02237
101 8PZ 0.00000 -0.01494 0.00000 0.00000 0.00000
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103 9PY 0.02089 0.00000 -0.01758 0.02396 0.00683
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106 10PY 0.29375 0.00000 -0.52000 0.60589 -0.12452
107 10PZ 0.00000 0.09091 0.00000 0.00000 0.00000
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110 11PZ 0.00000 -0.05870 0.00000 0.00000 0.00000
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112 12PY -1.35009 0.00000 2.16050 -0.89239 -0.36868
113 12PZ 0.00000 -0.30575 0.00000 0.00000 0.00000
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115 13PY -0.05634 0.00000 0.16560 -0.10972 0.03841
116 13PZ 0.00000 -0.02743 0.00000 0.00000 0.00000
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121 14D-2 -0.54880 0.00000 0.38510 0.59966 0.47158
122 15D 0 -0.23259 0.00000 -0.80476 0.25496 -0.33597
123 15D+1 0.00000 0.05140 0.00000 0.00000 0.00000
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125 15D+2 1.24884 0.00000 -0.84148 1.19403 0.05532
126 15D-2 -0.21159 0.00000 -0.69983 -0.15209 0.17429
127 16D 0 -0.05752 0.00000 0.25702 -0.00110 -0.02399
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131 16D-2 0.02883 0.00000 0.31033 0.06040 -0.22333
132 17D 0 0.06602 0.00000 -0.06112 -0.03413 0.07613
133 17D+1 0.00000 0.01495 0.00000 0.00000 0.00000
134 17D-1 0.00000 -0.09817 0.00000 0.00000 0.00000
135 17D+2 -0.04289 0.00000 -0.13456 -0.05283 -0.16003
136 17D-2 0.03655 0.00000 -0.15386 -0.04413 0.11434
137 18F 0 0.00000 0.12307 0.00000 0.00000 0.00000
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139 18F-1 0.06029 0.00000 -0.13615 -0.11045 0.03562
140 18F+2 0.00000 0.11259 0.00000 0.00000 0.00000
141 18F-2 0.00000 -0.01873 0.00000 0.00000 0.00000
142 18F+3 0.40963 0.00000 -0.08339 -0.22374 -0.22478
143 18F-3 0.06164 0.00000 -0.09993 0.10642 0.05477
144 19F 0 0.00000 0.18536 0.00000 0.00000 0.00000
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146 19F-1 0.16507 0.00000 -0.29993 0.28450 0.01717
147 19F+2 0.00000 0.37715 0.00000 0.00000 0.00000
148 19F-2 0.00000 -0.06692 0.00000 0.00000 0.00000
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150 19F-3 0.19404 0.00000 -0.82011 0.28312 -0.30672
151 20F 0 0.00000 -0.03803 0.00000 0.00000 0.00000
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153 20F-1 0.02093 0.00000 -0.00143 0.03844 -0.02232
154 20F+2 0.00000 -0.10272 0.00000 0.00000 0.00000
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156 20F+3 0.04629 0.00000 -0.00350 0.00704 0.26083
157 20F-3 -0.10536 0.00000 0.14370 0.09885 0.00804
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162 21G-2 0.11340 0.00000 0.04980 0.00221 -0.11275
163 21G+3 0.00000 0.09171 0.00000 0.00000 0.00000
164 21G-3 0.00000 0.16018 0.00000 0.00000 0.00000
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166 21G-4 0.21186 0.00000 -0.08636 -0.05257 -0.40296
167 22G 0 0.05344 0.00000 0.06411 -0.02607 0.06045
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170 22G+2 -0.13985 0.00000 0.02889 -0.11770 -0.06936
171 22G-2 0.04158 0.00000 -0.00573 -0.02276 0.01421
172 22G+3 0.00000 -0.03140 0.00000 0.00000 0.00000
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406 15G-4 -0.04307 -0.06930 -0.05200 0.02996 -0.00595
326 327 328 329 330
V V V V V
Eigenvalues -- 13.35541 13.36683 13.42170 13.43473 13.45302
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380 12D+1 -0.06071 0.10862 -0.06934 0.08344 -0.19347
381 12D-1 -0.27044 0.28420 -0.41003 -0.10949 -0.15425
382 12D+2 0.14879 -0.08520 0.18218 0.30270 -0.03062
383 12D-2 0.13190 -0.15366 0.11898 -0.21695 -0.47297
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388 13F-2 -0.19754 0.09830 -0.06515 0.12176 0.26378
389 13F+3 0.08211 -0.18154 0.22163 0.27234 0.17571
390 13F-3 0.28172 -0.14373 0.17381 0.09074 -0.37949
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392 14F+1 0.19419 -0.05110 0.09377 0.18559 -0.23768
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394 14F+2 0.12032 -0.02795 0.10777 0.12906 -0.07470
395 14F-2 0.20099 -0.16517 0.11075 -0.14625 -0.29348
396 14F+3 -0.05215 0.10739 -0.12625 -0.29780 -0.16864
397 14F-3 -0.22760 0.15271 -0.09186 -0.03130 0.33801
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399 15G+1 0.07630 0.18762 -0.06119 0.15102 -0.06201
400 15G-1 -0.14370 -0.11681 0.00989 0.00502 -0.06349
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402 15G-2 -0.04232 -0.02067 0.07321 0.19388 -0.18341
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406 15G-4 -0.08774 -0.18209 -0.13483 -0.05213 -0.02218
331 332 333 334 335
V V V V V
Eigenvalues -- 13.55963 13.56094 13.59440 13.67460 13.74052
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340 14F-2 0.00477 0.14348 0.16036 0.13523 -0.06295
341 14F+3 0.03209 -0.24948 0.03190 -0.12344 0.07721
342 14F-3 0.07929 0.23429 -0.12819 0.12151 -0.04920
343 15G 0 0.18931 0.13240 -0.12785 0.03330 0.03644
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345 15G-1 -0.17506 -0.14135 0.05294 -0.02735 0.00484
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347 15G-2 0.17142 0.23027 -0.33458 0.05023 0.02260
348 15G+3 0.03966 0.11619 -0.05527 0.04608 -0.03011
349 15G-3 -0.09474 -0.17943 -0.00176 -0.07090 0.02580
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353 2S -0.33575 0.29825 -0.22258 -0.01651 -0.15547
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378 11D-2 0.05632 0.01827 -0.03273 0.21302 -0.01832
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382 12D+2 0.08095 -0.03907 -0.02937 0.02822 0.02709
383 12D-2 0.09932 -0.36006 0.02016 -0.00005 0.01283
384 13F 0 0.15957 0.22693 0.04729 0.01806 0.02744
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386 13F-1 0.20437 0.15241 0.02860 -0.31042 0.18718
387 13F+2 -0.03228 -0.05875 -0.02337 -0.09397 0.00854
388 13F-2 0.07102 0.11039 0.17646 -0.24537 0.15792
389 13F+3 0.08527 0.24515 -0.00431 -0.18220 0.11499
390 13F-3 0.02794 -0.23503 0.12068 0.22219 -0.11061
391 14F 0 -0.15933 -0.14516 -0.06119 -0.01813 -0.03194
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393 14F-1 -0.26592 -0.05610 -0.03678 0.15179 -0.18194
394 14F+2 -0.01528 0.04875 -0.00080 0.07428 -0.02943
395 14F-2 0.00477 -0.14348 -0.16036 0.13523 -0.06295
396 14F+3 -0.03209 -0.24948 0.03190 0.12344 -0.07721
397 14F-3 -0.07929 0.23429 -0.12819 -0.12151 0.04920
398 15G 0 -0.18931 0.13240 -0.12785 -0.03330 -0.03644
399 15G+1 -0.22702 0.07739 -0.06605 0.05203 -0.08191
400 15G-1 -0.17506 0.14135 -0.05294 -0.02735 0.00484
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402 15G-2 -0.17142 0.23027 -0.33458 -0.05023 -0.02260
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404 15G-3 -0.09474 0.17943 0.00176 -0.07090 0.02580
405 15G+4 -0.26573 0.24784 -0.18407 -0.06616 -0.01840
406 15G-4 0.22694 0.03337 0.13399 -0.10936 0.06125
336 337 338 339 340
V V V V V
Eigenvalues -- 13.77028 13.87091 13.91542 13.92793 13.94327
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406 15G-4 -0.01663 -0.01086 0.00100 -0.00873 -0.00623
341 342 343 344 345
V V V V V
Eigenvalues -- 13.99955 14.05747 14.05778 14.09450 14.11759
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388 13F-2 -0.13981 0.11039 0.08820 0.05068 0.02754
389 13F+3 -0.09600 0.00768 0.18186 -0.06487 0.00799
390 13F-3 0.09250 -0.18491 0.02057 -0.08096 -0.09113
391 14F 0 0.05879 -0.16605 -0.03921 0.03614 -0.18922
392 14F+1 0.00839 -0.18008 0.08032 -0.20054 -0.15845
393 14F-1 0.15849 0.03508 -0.24040 0.16668 -0.03346
394 14F+2 -0.00227 -0.06043 0.12085 -0.04415 -0.11315
395 14F-2 0.09735 -0.13011 -0.16042 -0.05545 -0.03011
396 14F+3 0.10025 -0.01167 -0.20810 0.13399 -0.01273
397 14F-3 -0.06185 0.23774 0.01670 0.12312 0.13855
398 15G 0 0.03972 -0.10618 0.05527 0.09888 -0.21029
399 15G+1 0.04843 -0.17194 0.14243 -0.10148 -0.07416
400 15G-1 0.10785 0.01761 -0.12447 0.09245 0.05255
401 15G+2 0.04137 0.09533 -0.02883 0.11138 -0.02864
402 15G-2 0.02760 -0.01471 -0.07604 -0.07729 0.05691
403 15G+3 0.06616 -0.05750 -0.02898 0.13576 -0.03369
404 15G-3 -0.10138 0.12718 -0.07841 0.02357 0.12930
405 15G+4 -0.05196 0.07953 -0.00254 -0.05877 0.10361
406 15G-4 0.02171 -0.06982 0.01621 -0.10894 -0.00973
346 347 348 349 350
V V V V V
Eigenvalues -- 14.11861 14.15275 14.20926 14.24395 14.29989
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55 17F-3 0.00000 -0.09467 0.00000 0.09467 -0.09523
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296 15G-4 0.00000 -0.03473 0.00000 -0.02931 -0.16663
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300 4S -0.94090 -0.62108 -0.16014 -0.43914 0.55538
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327 12D+2 -0.52276 -0.01743 -0.15593 0.05130 0.05184
328 12D-2 0.13602 0.00964 0.21636 0.03072 -0.20224
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331 13F-1 0.00494 -0.05151 -0.02349 0.07965 0.12206
332 13F+2 -0.06731 -0.04179 -0.10863 0.04512 0.04933
333 13F-2 0.04506 0.01490 -0.00309 0.00314 -0.16502
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335 13F-3 -0.08534 0.01148 -0.00284 -0.00994 -0.02713
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337 14F+1 -0.03333 -0.01580 0.09089 0.03590 0.11201
338 14F-1 -0.05655 0.06777 0.09023 -0.05508 -0.16223
339 14F+2 0.14487 0.04395 0.16817 -0.08124 -0.11687
340 14F-2 -0.07189 -0.04813 -0.04020 0.02422 0.11119
341 14F+3 0.14977 0.03419 0.24190 0.03245 0.01610
342 14F-3 0.12564 -0.02917 -0.03165 0.00686 -0.01096
343 15G 0 0.02786 -0.10349 0.18750 0.11039 0.12327
344 15G+1 0.15079 0.04918 0.06555 -0.02835 -0.02354
345 15G-1 -0.07377 -0.03968 -0.11969 0.07415 0.31234
346 15G+2 0.10100 -0.01702 0.01295 -0.04270 0.06407
347 15G-2 0.12127 0.04840 0.01288 -0.01763 -0.16464
348 15G+3 -0.15375 0.05598 -0.13881 -0.07892 0.04292
349 15G-3 -0.05194 -0.03476 0.10067 0.02713 -0.16939
350 15G+4 -0.03581 0.05171 -0.09841 -0.06245 -0.01781
351 15G-4 -0.21477 0.04800 0.00563 -0.08127 -0.17761
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354 3S 0.66263 -0.33151 0.01753 0.44391 0.08706
355 4S 0.94090 -0.62108 0.16014 -0.43914 0.55538
356 5S -0.03177 0.13754 0.02027 -0.02972 0.04801
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378 11D-2 0.17715 0.23388 0.08597 -0.16256 0.73041
379 12D 0 0.02647 -0.22440 -0.12123 0.16785 0.14735
380 12D+1 -0.03468 -0.17186 -0.14567 0.18707 -0.00729
381 12D-1 0.08191 -0.05960 -0.15160 0.10156 -0.19018
382 12D+2 0.52276 -0.01743 0.15593 0.05130 0.05184
383 12D-2 -0.13602 0.00964 -0.21636 0.03072 -0.20224
384 13F 0 -0.13333 0.00367 0.43007 -0.05262 -0.18551
385 13F+1 -0.14400 0.02328 0.04794 -0.04459 -0.08311
386 13F-1 -0.00494 -0.05151 0.02349 0.07965 0.12206
387 13F+2 -0.06731 0.04179 -0.10863 -0.04512 -0.04933
388 13F-2 0.04506 -0.01490 -0.00309 -0.00314 0.16502
389 13F+3 0.10347 -0.05898 0.16283 -0.01833 0.05570
390 13F-3 0.08534 0.01148 0.00284 -0.00994 -0.02713
391 14F 0 0.14413 -0.05790 -0.50695 0.09779 0.14610
392 14F+1 0.03333 -0.01580 -0.09089 0.03590 0.11201
393 14F-1 0.05655 0.06777 -0.09023 -0.05508 -0.16223
394 14F+2 0.14487 -0.04395 0.16817 0.08124 0.11687
395 14F-2 -0.07189 0.04813 -0.04020 -0.02422 -0.11119
396 14F+3 -0.14977 0.03419 -0.24190 0.03245 0.01610
397 14F-3 -0.12564 -0.02917 0.03165 0.00686 -0.01096
398 15G 0 -0.02786 -0.10349 -0.18750 0.11039 0.12327
399 15G+1 0.15079 -0.04918 0.06555 0.02835 0.02354
400 15G-1 -0.07377 0.03968 -0.11969 -0.07415 -0.31234
401 15G+2 -0.10100 -0.01702 -0.01295 -0.04270 0.06407
402 15G-2 -0.12127 0.04840 -0.01288 -0.01763 -0.16464
403 15G+3 -0.15375 -0.05598 -0.13881 0.07892 -0.04292
404 15G-3 -0.05194 0.03476 0.10067 -0.02713 0.16939
405 15G+4 0.03581 0.05171 0.09841 -0.06245 -0.01781
406 15G-4 0.21477 0.04800 -0.00563 -0.08127 -0.17761
351 352 353 354 355
V V V V V
Eigenvalues -- 14.30981 14.33061 14.34939 14.40657 14.41680
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55 17F-3 0.00000 0.05041 0.00000 0.23042 0.00000
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62 18F-3 0.00000 0.05667 0.00000 -0.14492 0.00000
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65 19G-1 0.00014 0.00000 -0.14084 0.00000 -0.01567
66 19G+2 0.00000 -0.08470 0.00000 0.07522 0.00000
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69 19G-3 -0.03681 0.00000 -0.09163 0.00000 0.02260
70 19G+4 0.00000 0.01633 0.00000 -0.07772 0.00000
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74 20G-1 -0.10654 0.00000 0.61298 0.00000 0.24910
75 20G+2 0.00000 0.08695 0.00000 0.97592 0.00000
76 20G-2 0.00000 -0.15438 0.00000 0.18290 0.00000
77 20G+3 0.71053 0.00000 -0.00887 0.00000 0.21205
78 20G-3 0.06641 0.00000 0.36970 0.00000 0.22538
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80 20G-4 0.00000 -0.52828 0.00000 0.22954 0.00000
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141 18F-2 0.06719 0.00000 0.00288 0.00000 0.01546
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406 15G-4 0.14264 -0.09089 0.14089 -0.10459 -0.02539
356 357 358 359 360
V V V V V
Eigenvalues -- 14.46011 14.50446 14.57443 14.58469 14.72598
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400 15G-1 0.03092 -0.02814 0.01399 0.12378 -0.00689
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361 362 363 364 365
V V V V V
Eigenvalues -- 14.76121 14.85267 14.87820 14.87986 14.91157
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347 15G-2 0.05857 0.28211 0.05247 0.06038 0.15660
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382 12D+2 0.26658 -0.00123 0.27157 -0.01231 -0.10510
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389 13F+3 0.09571 0.03794 0.00333 -0.13627 0.08311
390 13F-3 -0.04140 -0.20807 -0.04512 -0.05870 -0.13677
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393 14F-1 -0.14514 -0.04136 -0.37367 0.08683 -0.31504
394 14F+2 0.10589 -0.14659 -0.07991 -0.04842 0.09828
395 14F-2 -0.02372 -0.30835 -0.08942 0.05727 -0.13449
396 14F+3 -0.13791 -0.09136 -0.14409 0.11448 -0.12025
397 14F-3 0.09419 0.25241 0.01309 -0.01846 0.16450
398 15G 0 -0.10669 -0.12743 -0.00707 0.28639 -0.11158
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400 15G-1 -0.00448 0.07038 -0.22511 -0.10658 -0.24038
401 15G+2 0.20802 -0.10578 -0.11873 -0.10112 0.03937
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404 15G-3 -0.02849 0.19433 0.03157 0.15521 0.02064
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406 15G-4 0.03841 -0.08717 0.03149 -0.01655 -0.01563
366 367 368 369 370
V V V V V
Eigenvalues -- 15.05020 15.14512 15.28211 15.46767 15.47266
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53 17F-2 0.00000 -0.07832 0.00000 0.00000 1.30170
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335 13F-3 0.10571 0.00031 0.00068 0.01385 -0.05998
336 14F 0 -0.12686 0.01736 0.00338 0.12601 -0.19788
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347 15G-2 0.16778 -0.01273 0.02407 0.17403 0.27570
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351 15G-4 0.24316 0.00328 -0.01333 0.06777 0.08385
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353 2S 0.37179 0.06470 0.32404 0.25115 -0.22800
354 3S -6.36750 -0.26393 -1.07296 -8.39776 14.47070
355 4S 0.21820 -0.28523 0.17506 -3.03184 5.67252
356 5S -0.00903 0.00871 0.04501 0.03294 -0.04186
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382 12D+2 0.05136 0.06333 -0.13636 0.08233 -0.11048
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390 13F-3 0.10571 -0.00031 0.00068 0.01385 0.05998
391 14F 0 0.12686 0.01736 -0.00338 -0.12601 -0.19788
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393 14F-1 -0.35533 -0.01058 -0.05730 0.01543 0.19031
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395 14F-2 0.25941 0.03407 0.00546 0.15665 -0.02566
396 14F+3 0.01751 -0.00372 0.00927 -0.00609 0.10953
397 14F-3 -0.34964 0.00521 0.00806 -0.15113 0.07686
398 15G 0 0.05877 0.03001 -0.04286 0.03252 0.01105
399 15G+1 0.00349 -0.01090 -0.03652 -0.06746 0.03512
400 15G-1 -0.31518 -0.01002 -0.01848 -0.10317 0.33835
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404 15G-3 -0.36131 -0.00562 0.02357 -0.19803 0.22838
405 15G+4 -0.07094 0.01391 -0.00491 -0.09083 0.07894
406 15G-4 0.24316 -0.00328 -0.01333 0.06777 -0.08385
371 372 373 374 375
V V V V V
Eigenvalues -- 15.66803 15.80867 15.84733 15.86862 16.04604
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2 2S -0.04647 -0.15769 0.00000 -0.38008 -0.01409
3 3S 0.20994 -0.82797 0.00000 -2.37782 -0.13261
4 4S -4.36847 -1.13979 0.00000 0.49254 0.46929
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48 16F-3 -0.14711 0.12621 0.00000 -0.00687 0.08879
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53 17F-2 0.00000 0.00000 1.67170 0.00000 0.00000
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62 18F-3 0.68775 0.03582 0.00000 1.04610 -0.49621
63 19G 0 0.15872 -0.23089 0.00000 0.10645 0.19604
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67 19G-2 -0.13304 0.14604 0.00000 0.46341 0.10293
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69 19G-3 0.00000 0.00000 0.01924 0.00000 0.00000
70 19G+4 0.06533 0.14536 0.00000 0.05041 -0.08905
71 19G-4 0.09314 0.04762 0.00000 -0.19466 0.22849
72 20G 0 0.27723 -0.79403 0.00000 0.30782 0.48727
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75 20G+2 -0.12202 0.12675 0.00000 -0.09630 0.00166
76 20G-2 -0.37926 0.06721 0.00000 0.22435 0.37795
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79 20G+4 -0.22301 0.17500 0.00000 -0.09878 -0.46345
80 20G-4 0.00645 0.28710 0.00000 -0.29144 0.78617
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89 21H-4 0.00000 0.00000 0.10268 0.00000 0.00000
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91 21H-5 0.03705 0.16950 0.00000 0.21562 -0.31163
92 2 S 1S -0.00059 0.00011 0.00000 -0.00004 -0.00172
93 2S 0.01020 0.00882 0.00000 0.01802 0.00337
94 3S -0.04167 -0.02126 0.00000 -0.05378 -0.05169
95 4S -0.18193 -0.10326 0.00000 -0.29256 -0.18633
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405 15G+4 -0.05889 -0.18311 -0.23229 0.06031 0.04159
406 15G-4 -0.04202 -0.13216 0.06217 -0.02233 -0.25600
376 377 378 379 380
V V V V V
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381 382 383 384 385
V V V V V
Eigenvalues -- 17.27136 17.44983 17.47640 17.55315 17.60223
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378 11D-2 0.12000 0.39716 -0.07932 0.76630 0.00744
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381 12D-1 -0.06429 0.42923 0.21286 -1.25912 0.84758
382 12D+2 0.03192 0.57967 0.13232 -0.56944 0.77455
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390 13F-3 0.01080 -0.06820 0.01503 -0.00801 -0.00122
391 14F 0 -0.14621 -0.59189 0.01288 -0.73965 -0.10262
392 14F+1 0.05449 -0.09471 -0.10449 0.44820 -0.29812
393 14F-1 0.00321 0.38967 0.10734 -0.21820 0.37252
394 14F+2 -0.00494 0.51184 0.10777 -0.51444 0.52470
395 14F-2 0.09776 0.25633 -0.06928 0.53503 -0.02936
396 14F+3 0.03984 -0.01517 -0.10537 0.28160 -0.24423
397 14F-3 -0.07505 -0.24446 -0.02716 -0.08966 -0.19329
398 15G 0 -0.06109 -0.25151 0.01587 -0.28231 -0.03674
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400 15G-1 0.03121 0.26107 0.01349 0.07171 0.12598
401 15G+2 -0.01917 0.25611 0.06223 -0.26534 0.24608
402 15G-2 0.03554 0.04199 -0.04073 0.17848 -0.04258
403 15G+3 0.03471 -0.06869 -0.05846 0.24907 -0.16216
404 15G-3 -0.03835 -0.21330 -0.00311 -0.04653 -0.12224
405 15G+4 -0.02083 -0.03970 0.02267 -0.06267 0.01735
406 15G-4 0.00599 0.06735 0.01649 -0.03781 0.06961
386 387 388 389 390
V V V V V
Eigenvalues -- 17.80019 17.93548 17.97244 18.23026 18.31713
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55 17F-3 0.93379 0.00000 0.25095 0.79589 0.00000
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60 18F-2 0.00000 -0.95333 0.00000 0.00000 -0.36132
61 18F+3 -0.04648 0.00000 -0.27361 -0.21143 0.00000
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63 19G 0 -0.21043 0.00000 -0.65986 -0.20205 0.00000
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70 19G+4 -0.30860 0.00000 0.12732 -0.49156 0.00000
71 19G-4 -0.20605 0.00000 0.24229 -0.33538 0.00000
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93 2S -0.01174 0.00000 0.00327 0.01843 0.00000
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396 14F+3 0.44183 -0.31908 -0.04077 0.12404 -0.05636
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398 15G 0 -0.18603 -0.09380 -0.42851 -0.07494 -0.01955
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404 15G-3 0.02997 -0.16002 -0.21903 0.06763 0.11117
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406 15G-4 -0.05306 0.07994 0.05705 -0.03695 -0.04189
391 392 393 394 395
V V V V V
Eigenvalues -- 18.35744 18.42972 18.49408 18.61724 18.77467
1 1 C 1S 0.00588 0.00000 0.00039 0.00000 0.02544
2 2S 0.02879 0.00000 0.00009 0.00000 0.18063
3 3S 0.30459 0.00000 -0.00442 0.00000 1.74914
4 4S -1.10741 0.00000 -0.16700 0.00000 -4.39372
5 5S -0.43062 0.00000 0.65663 0.00000 -7.46158
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323 11D-2 -0.53581 -0.97010 0.15676 -0.30640 0.23438
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325 12D+1 0.46895 -0.65798 -0.03637 -0.25214 0.34744
326 12D-1 0.09962 -0.80930 -0.55953 0.10348 0.40842
327 12D+2 0.22395 0.05116 0.22132 -0.25839 -0.05713
328 12D-2 -0.02026 -0.59121 0.03995 -0.04048 0.14212
329 13F 0 -0.36143 -0.34228 0.28988 -0.33249 -0.01915
330 13F+1 -0.12727 0.03371 -0.01295 0.03208 -0.07207
331 13F-1 -0.01533 0.12648 0.24503 -0.08279 -0.10021
332 13F+2 -0.04923 -0.10613 -0.30392 0.22484 0.02085
333 13F-2 0.21432 0.25996 -0.05163 0.06186 -0.08455
334 13F+3 -0.09892 -0.12775 -0.12462 0.07340 0.02996
335 13F-3 0.06575 0.09102 -0.10813 0.05994 -0.00604
336 14F 0 0.13328 -0.43593 0.24114 -0.44045 -0.12378
337 14F+1 -0.27057 0.08462 0.05082 0.07635 -0.17381
338 14F-1 -0.05481 0.26041 0.35363 -0.11327 -0.18703
339 14F+2 -0.26044 -0.13385 -0.37168 0.28380 0.02613
340 14F-2 0.07613 0.49343 0.05866 0.08828 -0.15034
341 14F+3 -0.13385 -0.19510 -0.05372 0.15248 0.01890
342 14F-3 0.05046 0.03916 -0.14176 0.13137 -0.01907
343 15G 0 0.03489 0.33079 -0.11024 0.28672 -0.00727
344 15G+1 0.19378 0.04078 -0.16125 0.12042 0.05891
345 15G-1 0.14756 0.00683 -0.21783 0.09212 0.06575
346 15G+2 0.12134 0.07614 0.23844 -0.16176 -0.01496
347 15G-2 -0.06021 -0.26897 -0.08226 -0.02654 0.11164
348 15G+3 0.15107 0.19211 0.13481 -0.14219 -0.03736
349 15G-3 -0.07923 -0.09248 0.12927 -0.07232 0.02657
350 15G+4 0.05123 0.09650 0.00824 -0.03001 -0.00866
351 15G-4 0.01186 0.03650 0.07144 -0.07775 -0.00427
352 6 H 1S 0.03833 -0.04682 0.01998 0.00542 0.04250
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354 3S 0.39865 5.84796 -3.70005 -0.47277 4.67426
355 4S 0.47826 2.43857 -1.38863 -0.23310 1.57934
356 5S 0.11677 0.18413 -0.08692 -0.01191 -0.03644
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373 10D-2 0.08140 -0.24782 -0.01410 -0.09149 -0.07643
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376 11D-1 0.40707 -1.31196 0.92078 0.19403 -0.52204
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381 12D-1 -0.09962 -0.80930 0.55953 0.10348 -0.40842
382 12D+2 0.22395 -0.05116 0.22132 0.25839 -0.05713
383 12D-2 -0.02026 0.59121 0.03995 0.04048 0.14212
384 13F 0 0.36143 -0.34228 -0.28988 -0.33249 0.01915
385 13F+1 -0.12727 -0.03371 -0.01295 -0.03208 -0.07207
386 13F-1 -0.01533 -0.12648 0.24503 0.08279 -0.10021
387 13F+2 0.04923 -0.10613 0.30392 0.22484 -0.02085
388 13F-2 -0.21432 0.25996 0.05163 0.06186 0.08455
389 13F+3 -0.09892 0.12775 -0.12462 -0.07340 0.02996
390 13F-3 0.06575 -0.09102 -0.10813 -0.05994 -0.00604
391 14F 0 -0.13328 -0.43593 -0.24114 -0.44045 0.12378
392 14F+1 -0.27057 -0.08462 0.05082 -0.07635 -0.17381
393 14F-1 -0.05481 -0.26041 0.35363 0.11327 -0.18703
394 14F+2 0.26044 -0.13385 0.37168 0.28380 -0.02613
395 14F-2 -0.07613 0.49343 -0.05866 0.08828 0.15034
396 14F+3 -0.13385 0.19510 -0.05372 -0.15248 0.01890
397 14F-3 0.05046 -0.03916 -0.14176 -0.13137 -0.01907
398 15G 0 0.03489 -0.33079 -0.11024 -0.28672 -0.00727
399 15G+1 -0.19378 0.04078 0.16125 0.12042 -0.05891
400 15G-1 -0.14756 0.00683 0.21783 0.09212 -0.06575
401 15G+2 0.12134 -0.07614 0.23844 0.16176 -0.01496
402 15G-2 -0.06021 0.26897 -0.08226 0.02654 0.11164
403 15G+3 -0.15107 0.19211 -0.13481 -0.14219 0.03736
404 15G-3 0.07923 -0.09248 -0.12927 -0.07232 -0.02657
405 15G+4 0.05123 -0.09650 0.00824 0.03001 -0.00866
406 15G-4 0.01186 -0.03650 0.07144 0.07775 -0.00427
396 397 398 399 400
V V V V V
Eigenvalues -- 18.91318 18.95409 19.08546 20.77519 20.84104
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5 5S 0.00000 -4.76569 22.53487 -0.14724 0.27696
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9 7PZ 1.38992 0.00000 0.00000 0.00000 0.00000
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12 8PZ -5.70921 0.00000 0.00000 0.00000 0.00000
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14 9PY 0.00000 -0.97781 6.12908 -1.13721 0.45139
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20 11PY 0.00000 -0.05518 0.35134 -0.07392 0.02821
21 11PZ -0.34678 0.00000 0.00000 0.00000 0.00000
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24 12D-1 0.30856 0.00000 0.00000 0.00000 0.00000
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26 12D-2 0.00000 -0.21570 -0.09393 0.00381 -0.40571
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29 13D-1 -2.45689 0.00000 0.00000 0.00000 0.00000
30 13D+2 0.00000 -2.45476 1.60386 -0.10589 -0.20995
31 13D-2 0.00000 1.90250 0.65134 0.01175 0.30056
32 14D 0 0.00000 2.56627 2.23335 -0.34493 3.41762
33 14D+1 -2.81214 0.00000 0.00000 0.00000 0.00000
34 14D-1 -2.50622 0.00000 0.00000 0.00000 0.00000
35 14D+2 0.00000 -2.42548 2.38096 -0.88004 -2.23720
36 14D-2 0.00000 1.76287 0.63066 0.07459 2.30291
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41 15D-2 0.00000 1.14807 0.38866 0.14430 0.07259
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44 16F-1 0.00000 0.48248 0.70927 0.05423 -0.10307
45 16F+2 -0.15105 0.00000 0.00000 0.00000 0.00000
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48 16F-3 0.00000 -0.52960 0.48333 0.06388 0.05208
49 17F 0 0.18858 0.00000 0.00000 0.00000 0.00000
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51 17F-1 0.00000 0.38218 0.32233 -0.78934 1.22586
52 17F+2 0.23423 0.00000 0.00000 0.00000 0.00000
53 17F-2 -0.56506 0.00000 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00969 -0.30732 0.68440 0.99009
55 17F-3 0.00000 -0.42186 0.07106 -0.87887 -0.67038
56 18F 0 -0.10266 0.00000 0.00000 0.00000 0.00000
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58 18F-1 0.00000 -0.02330 -0.02804 -0.40607 0.69930
59 18F+2 -0.03457 0.00000 0.00000 0.00000 0.00000
60 18F-2 0.00829 0.00000 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.07698 -0.03558 0.40516 0.38248
62 18F-3 0.00000 0.02001 0.07519 -0.32631 -0.41095
63 19G 0 0.00000 0.01909 0.10058 -0.01998 -0.31812
64 19G+1 0.02838 0.00000 0.00000 0.00000 0.00000
65 19G-1 -0.12222 0.00000 0.00000 0.00000 0.00000
66 19G+2 0.00000 -0.02979 0.08069 0.11765 0.38103
67 19G-2 0.00000 -0.03064 0.32474 -0.52206 0.22776
68 19G+3 0.02775 0.00000 0.00000 0.00000 0.00000
69 19G-3 -0.10353 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 -0.07264 0.17501 -0.03426 -0.23743
71 19G-4 0.00000 0.16503 -0.03841 0.23217 0.34224
72 20G 0 0.00000 0.51858 0.12168 -0.05407 -0.77478
73 20G+1 0.53507 0.00000 0.00000 0.00000 0.00000
74 20G-1 0.23884 0.00000 0.00000 0.00000 0.00000
75 20G+2 0.00000 -0.29235 0.03108 0.24010 0.86308
76 20G-2 0.00000 0.02830 -0.76872 -1.08164 0.51922
77 20G+3 -0.30841 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.05732 0.00000 0.00000 0.00000 0.00000
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80 20G-4 0.00000 -0.24162 0.26741 0.46301 0.76906
81 21H 0 0.03570 0.00000 0.00000 0.00000 0.00000
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84 21H+2 -0.05501 0.00000 0.00000 0.00000 0.00000
85 21H-2 0.27259 0.00000 0.00000 0.00000 0.00000
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87 21H-3 0.00000 -0.24711 -0.04515 -0.10002 0.60421
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91 21H-5 0.00000 0.09778 -0.05975 -0.25860 -0.38711
92 2 S 1S 0.00000 0.00058 -0.00301 -0.00102 -0.00096
93 2S 0.00000 0.00362 0.01340 -0.00380 -0.00864
94 3S 0.00000 -0.00059 -0.14909 -0.01452 0.01214
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97 6S 0.00000 -0.14856 4.49820 0.27181 -0.40977
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104 9PZ 0.01276 0.00000 0.00000 0.00000 0.00000
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113 12PZ -0.12948 0.00000 0.00000 0.00000 0.00000
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123 15D+1 -0.00682 0.00000 0.00000 0.00000 0.00000
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126 15D-2 0.00000 0.01933 -0.16407 -0.03013 -0.05083
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131 16D-2 0.00000 0.03004 -0.02434 0.00121 0.04270
132 17D 0 0.00000 -0.00439 0.01917 0.00311 0.00954
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141 18F-2 0.06119 0.00000 0.00000 0.00000 0.00000
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147 19F+2 -0.03028 0.00000 0.00000 0.00000 0.00000
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166 21G-4 0.00000 0.12828 0.12040 0.04718 0.08065
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171 22G-2 0.00000 -0.00853 0.01043 0.00031 0.00803
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175 22G-4 0.00000 -0.02546 -0.04089 -0.00472 0.01994
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218 12D-2 0.00000 0.05001 0.35482 0.06147 -0.09196
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221 13F-1 0.00000 0.00462 -0.00360 0.00368 0.00050
222 13F+2 -0.00490 0.00000 0.00000 0.00000 0.00000
223 13F-2 0.00942 0.00000 0.00000 0.00000 0.00000
224 13F+3 0.00000 -0.00355 -0.02286 -0.00840 -0.00733
225 13F-3 0.00000 0.01901 0.01834 -0.00222 -0.00868
226 14F 0 -0.00762 0.00000 0.00000 0.00000 0.00000
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229 14F+2 0.01633 0.00000 0.00000 0.00000 0.00000
230 14F-2 -0.01078 0.00000 0.00000 0.00000 0.00000
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232 14F-3 0.00000 -0.04318 -0.14261 -0.00958 0.04394
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237 15G-2 0.00000 0.00574 -0.01775 -0.00174 0.00527
238 15G+3 -0.00232 0.00000 0.00000 0.00000 0.00000
239 15G-3 -0.00153 0.00000 0.00000 0.00000 0.00000
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241 15G-4 0.00000 0.00197 0.02956 0.00024 -0.00637
242 4 H 1S 0.00000 0.28322 -0.16167 -0.92173 -1.20658
243 2S 0.00000 -4.80281 2.67833 3.56103 4.60620
244 3S 0.00000 17.30728 -9.20327 -0.39525 3.53130
245 4S 0.00000 8.77895 -4.56955 -1.89456 2.16271
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271 12D-1 0.22867 0.00000 0.00000 0.00000 0.00000
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273 12D-2 0.00000 -1.53076 1.01849 0.67471 0.44578
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276 13F-1 0.00000 0.13770 -0.09670 0.00794 0.09697
277 13F+2 -0.13616 0.00000 0.00000 0.00000 0.00000
278 13F-2 0.06002 0.00000 0.00000 0.00000 0.00000
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280 13F-3 0.00000 -0.41134 0.25377 -0.14858 -0.27314
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286 14F+3 0.00000 0.94513 -0.38807 -0.25505 -0.35528
287 14F-3 0.00000 -0.95015 0.62022 0.29189 0.33217
288 15G 0 0.00000 0.27648 -0.13001 0.02026 0.04138
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290 15G-1 -0.07073 0.00000 0.00000 0.00000 0.00000
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292 15G-2 0.00000 0.24761 -0.17506 -0.04911 0.06140
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294 15G-3 0.11417 0.00000 0.00000 0.00000 0.00000
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296 15G-4 0.00000 -0.53313 0.28738 -0.01661 -0.02268
297 5 H 1S 0.20838 -0.07375 -0.22701 -0.82573 0.66890
298 2S -3.53117 1.23913 3.90185 3.20463 -2.56459
299 3S 12.52884 -4.64214 -13.59196 -0.71225 -1.85052
300 4S 6.38596 -2.74464 -7.01338 -2.26052 -0.64663
301 5S 0.07718 0.06609 -0.33252 -0.04496 0.10970
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321 11D-1 1.47498 -0.43841 -1.76540 -0.02625 -0.14068
322 11D+2 0.17594 -0.21487 -0.11740 -0.01314 0.08646
323 11D-2 0.64652 -0.48996 -1.00521 -0.00316 0.03384
324 12D 0 1.28894 -0.54201 -1.46697 -0.65088 0.40743
325 12D+1 1.62286 -0.53718 -1.61221 -0.69253 0.48658
326 12D-1 1.24775 -0.32550 -1.54531 -0.72248 0.34884
327 12D+2 0.28783 -0.00465 -0.20779 -0.07783 0.11220
328 12D-2 0.58241 -0.39998 -0.88496 -0.38225 0.22280
329 13F 0 -0.16733 -0.09105 0.00451 -0.05318 0.10741
330 13F+1 -0.32810 0.14152 0.31470 -0.15491 0.14598
331 13F-1 -0.29351 0.05548 0.29292 -0.12035 0.13433
332 13F+2 -0.02566 0.09881 0.01258 -0.05550 -0.02363
333 13F-2 -0.23993 0.14007 0.32061 -0.09888 0.12126
334 13F+3 0.03420 0.01643 -0.05901 0.00305 -0.05650
335 13F-3 -0.03578 0.06666 0.06031 -0.06020 0.01482
336 14F 0 -0.26330 0.06763 0.18821 0.08218 -0.07330
337 14F+1 -0.80817 0.30240 0.68397 0.20894 -0.21096
338 14F-1 -0.68802 0.10800 0.71596 0.23525 -0.18106
339 14F+2 -0.18054 0.12083 0.10554 0.05662 -0.05605
340 14F-2 -0.52741 0.30093 0.74535 0.22891 -0.17050
341 14F+3 0.00174 -0.09789 -0.09089 0.00347 0.03361
342 14F-3 -0.15150 0.14595 0.18776 0.05207 -0.06525
343 15G 0 -0.02298 0.09241 0.10820 -0.01982 -0.03108
344 15G+1 0.33312 -0.08365 -0.18573 0.04528 -0.02668
345 15G-1 0.30572 -0.00204 -0.21534 0.01865 -0.00635
346 15G+2 0.07919 -0.12145 -0.02757 0.01390 0.01145
347 15G-2 0.39460 -0.16834 -0.43729 -0.02674 -0.02224
348 15G+3 -0.04965 0.01310 0.13058 -0.00021 0.03037
349 15G-3 0.13585 -0.16040 -0.17057 0.02414 0.00981
350 15G+4 -0.01526 0.03415 0.01995 -0.03597 0.00576
351 15G-4 0.02059 -0.02599 -0.00686 0.01885 0.01840
352 6 H 1S -0.20838 -0.07375 -0.22701 -0.82573 0.66890
353 2S 3.53117 1.23913 3.90185 3.20463 -2.56459
354 3S -12.52884 -4.64214 -13.59196 -0.71225 -1.85052
355 4S -6.38596 -2.74464 -7.01338 -2.26052 -0.64663
356 5S -0.07718 0.06609 -0.33252 -0.04496 0.10970
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358 6PY -0.03055 -0.02874 -0.18515 0.31083 -0.28326
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360 7PX -0.78534 0.16830 -0.55842 -1.20578 0.69962
361 7PY -0.47498 -0.15074 -0.28427 -0.79824 0.74860
362 7PZ 0.86861 0.51988 1.27113 2.21016 -1.84814
363 8PX 3.68725 1.52246 4.09766 0.80213 -0.34661
364 8PY 2.86886 1.11319 3.62126 0.71033 0.00124
365 8PZ -7.03210 -2.35807 -7.59419 -1.57611 0.20615
366 9PX 1.86661 0.50381 1.78766 0.50523 0.03390
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368 9PZ -3.09468 -1.34772 -3.56059 -1.11284 0.31001
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373 10D-2 0.24151 0.15658 0.31605 0.09903 -0.12014
374 11D 0 -1.76414 -0.28415 -1.40189 0.01744 -0.16127
375 11D+1 1.75520 0.88216 1.89099 -0.03353 -0.01610
376 11D-1 1.47498 0.43841 1.76540 0.02625 0.14068
377 11D+2 -0.17594 -0.21487 -0.11740 -0.01314 0.08646
378 11D-2 -0.64652 -0.48996 -1.00521 -0.00316 0.03384
379 12D 0 -1.28894 -0.54201 -1.46697 -0.65088 0.40743
380 12D+1 1.62286 0.53718 1.61221 0.69253 -0.48658
381 12D-1 1.24775 0.32550 1.54531 0.72248 -0.34884
382 12D+2 -0.28783 -0.00465 -0.20779 -0.07783 0.11220
383 12D-2 -0.58241 -0.39998 -0.88496 -0.38225 0.22280
384 13F 0 -0.16733 0.09105 -0.00451 0.05318 -0.10741
385 13F+1 0.32810 0.14152 0.31470 -0.15491 0.14598
386 13F-1 0.29351 0.05548 0.29292 -0.12035 0.13433
387 13F+2 -0.02566 -0.09881 -0.01258 0.05550 0.02363
388 13F-2 -0.23993 -0.14007 -0.32061 0.09888 -0.12126
389 13F+3 -0.03420 0.01643 -0.05901 0.00305 -0.05650
390 13F-3 0.03578 0.06666 0.06031 -0.06020 0.01482
391 14F 0 -0.26330 -0.06763 -0.18821 -0.08218 0.07330
392 14F+1 0.80817 0.30240 0.68397 0.20894 -0.21096
393 14F-1 0.68802 0.10800 0.71596 0.23525 -0.18106
394 14F+2 -0.18054 -0.12083 -0.10554 -0.05662 0.05605
395 14F-2 -0.52741 -0.30093 -0.74535 -0.22891 0.17050
396 14F+3 -0.00174 -0.09789 -0.09089 0.00347 0.03361
397 14F-3 0.15150 0.14595 0.18776 0.05207 -0.06525
398 15G 0 0.02298 0.09241 0.10820 -0.01982 -0.03108
399 15G+1 0.33312 0.08365 0.18573 -0.04528 0.02668
400 15G-1 0.30572 0.00204 0.21534 -0.01865 0.00635
401 15G+2 -0.07919 -0.12145 -0.02757 0.01390 0.01145
402 15G-2 -0.39460 -0.16834 -0.43729 -0.02674 -0.02224
403 15G+3 -0.04965 -0.01310 -0.13058 0.00021 -0.03037
404 15G-3 0.13585 0.16040 0.17057 -0.02414 -0.00981
405 15G+4 0.01526 0.03415 0.01995 -0.03597 0.00576
406 15G-4 -0.02059 -0.02599 -0.00686 0.01885 0.01840
401 402 403 404 405
V V V V V
Eigenvalues -- 20.87597 25.02295 26.88805 27.83560 42.19852
1 1 C 1S 0.00000 0.00000 0.05945 0.04348 -2.91483
2 2S 0.00000 0.00000 0.00924 0.02593 -6.45959
3 3S 0.00000 0.00000 -0.83984 -0.36182 -11.16869
4 4S 0.00000 0.00000 3.06535 0.70132 12.00111
5 5S 0.00000 0.00000 1.43130 2.44858 30.94854
6 6S 0.00000 0.00000 -0.92626 -0.29035 5.26850
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9 7PZ -0.09046 -0.00513 0.00000 0.00000 0.00000
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11 8PY 0.00000 0.00000 -1.02285 -0.76692 -0.92256
12 8PZ -2.87473 0.05090 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 -0.19744 0.06598 -0.61098
14 9PY 0.00000 0.00000 3.91299 2.12074 10.55296
15 9PZ 7.30270 0.62009 0.00000 0.00000 0.00000
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17 10PY 0.00000 0.00000 4.06213 -0.39466 6.73425
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21 11PZ -0.06835 0.02930 0.00000 0.00000 0.00000
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26 12D-2 0.00000 0.00000 -0.00026 -0.01725 -0.02103
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29 13D-1 0.36948 0.11777 0.00000 0.00000 0.00000
30 13D+2 0.00000 0.00000 -0.36703 -0.34013 0.37394
31 13D-2 0.00000 0.00000 0.02947 0.06328 0.06607
32 14D 0 0.00000 0.00000 1.42059 0.66305 2.61057
33 14D+1 3.77445 -0.29522 0.00000 0.00000 0.00000
34 14D-1 2.85611 -0.38098 0.00000 0.00000 0.00000
35 14D+2 0.00000 0.00000 2.32864 1.08598 4.17550
36 14D-2 0.00000 0.00000 -0.30406 -0.28979 0.40407
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38 15D+1 1.60763 -0.63326 0.00000 0.00000 0.00000
39 15D-1 0.35372 0.50808 0.00000 0.00000 0.00000
40 15D+2 0.00000 0.00000 1.12578 0.02876 1.69306
41 15D-2 0.00000 0.00000 -0.35432 -0.24089 0.15250
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45 16F+2 -0.04977 0.02273 0.00000 0.00000 0.00000
46 16F-2 -0.11630 0.02985 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 -0.01788 0.00697 0.02096
48 16F-3 0.00000 0.00000 0.15497 0.08993 0.01072
49 17F 0 0.64374 0.05389 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.26497 0.19912 2.42925
51 17F-1 0.00000 0.00000 -0.20850 -0.12512 1.14659
52 17F+2 0.54917 0.08715 0.00000 0.00000 0.00000
53 17F-2 1.49232 -0.17426 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 -0.05216 0.03071 -0.86101
55 17F-3 0.00000 0.00000 -0.23632 -0.05757 1.11272
56 18F 0 0.27057 -0.23865 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.43693 0.36893 1.57894
58 18F-1 0.00000 0.00000 -0.29065 -0.45537 0.52381
59 18F+2 0.11712 -0.15462 0.00000 0.00000 0.00000
60 18F-2 0.86173 -0.02675 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 -0.07972 -0.18935 -0.51833
62 18F-3 0.00000 0.00000 -0.60669 -0.11184 0.41223
63 19G 0 0.00000 0.00000 -0.00404 0.00184 0.02382
64 19G+1 0.54460 0.03810 0.00000 0.00000 0.00000
65 19G-1 0.37427 -0.04012 0.00000 0.00000 0.00000
66 19G+2 0.00000 0.00000 -0.01081 0.02829 -0.00779
67 19G-2 0.00000 0.00000 0.05107 0.02065 0.30317
68 19G+3 -0.13281 0.00973 0.00000 0.00000 0.00000
69 19G-3 0.25646 -0.03487 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00863 0.00477 0.06632
71 19G-4 0.00000 0.00000 -0.00983 -0.02440 -0.10739
72 20G 0 0.00000 0.00000 -0.13101 -0.08384 -0.14736
73 20G+1 1.27421 -0.00870 0.00000 0.00000 0.00000
74 20G-1 0.85185 0.14323 0.00000 0.00000 0.00000
75 20G+2 0.00000 0.00000 -0.13091 -0.20666 -0.33663
76 20G-2 0.00000 0.00000 0.03352 0.15310 0.71411
77 20G+3 -0.32435 0.07413 0.00000 0.00000 0.00000
78 20G-3 0.56448 0.13363 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 -0.33887 -0.35213 -0.25019
80 20G-4 0.00000 0.00000 -0.05139 -0.01193 -0.31944
81 21H 0 -0.33324 0.04606 0.00000 0.00000 0.00000
82 21H+1 0.00000 0.00000 0.01090 0.00746 -0.02275
83 21H-1 0.00000 0.00000 0.04660 0.05365 0.08266
84 21H+2 0.13794 0.03191 0.00000 0.00000 0.00000
85 21H-2 0.82019 -0.00498 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00277 -0.01038 -0.05455
87 21H-3 0.00000 0.00000 0.05488 0.04980 0.07350
88 21H+4 -0.10362 0.04290 0.00000 0.00000 0.00000
89 21H-4 -0.03683 0.01499 0.00000 0.00000 0.00000
90 21H+5 0.00000 0.00000 -0.00278 0.05302 -0.00007
91 21H-5 0.00000 0.00000 0.09480 0.06580 0.11288
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93 2S 0.00000 0.00000 0.18055 -0.14839 0.12177
94 3S 0.00000 0.00000 0.23808 -0.02684 0.20481
95 4S 0.00000 0.00000 0.49996 0.52616 0.18882
96 5S 0.00000 0.00000 -5.11593 2.47352 -1.25930
97 6S 0.00000 0.00000 11.58528 -9.07472 2.72915
98 7S 0.00000 0.00000 3.30027 -2.46163 0.96042
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104 9PZ 0.02456 3.03704 0.00000 0.00000 0.00000
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106 10PY 0.00000 0.00000 -3.18770 -2.52277 -0.62777
107 10PZ 0.01069 2.67191 0.00000 0.00000 0.00000
108 11PX 0.00000 0.00000 2.50807 -7.48577 -0.28509
109 11PY 0.00000 0.00000 3.55567 4.00410 1.03430
110 11PZ 0.11427 -2.53592 0.00000 0.00000 0.00000
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Eigenvalues -- 69.42200
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27 13D 0 0.04425
28 13D+1 0.00000
29 13D-1 0.00000
30 13D+2 0.15605
31 13D-2 -0.03164
32 14D 0 0.02234
33 14D+1 0.00000
34 14D-1 0.00000
35 14D+2 -0.77054
36 14D-2 0.37538
37 15D 0 1.07515
38 15D+1 0.00000
39 15D-1 0.00000
40 15D+2 0.62238
41 15D-2 -0.05649
42 16F 0 0.00000
43 16F+1 0.03160
44 16F-1 -0.02580
45 16F+2 0.00000
46 16F-2 0.00000
47 16F+3 -0.02524
48 16F-3 -0.01052
49 17F 0 0.00000
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51 17F-1 -0.09317
52 17F+2 0.00000
53 17F-2 0.00000
54 17F+3 0.15786
55 17F-3 -0.27274
56 18F 0 0.00000
57 18F+1 -0.88614
58 18F-1 0.02743
59 18F+2 0.00000
60 18F-2 0.00000
61 18F+3 0.43599
62 18F-3 -0.02236
63 19G 0 -0.02535
64 19G+1 0.00000
65 19G-1 0.00000
66 19G+2 -0.03723
67 19G-2 -0.04177
68 19G+3 0.00000
69 19G-3 0.00000
70 19G+4 -0.04487
71 19G-4 0.02569
72 20G 0 0.09713
73 20G+1 0.00000
74 20G-1 0.00000
75 20G+2 0.19738
76 20G-2 -0.14222
77 20G+3 0.00000
78 20G-3 0.00000
79 20G+4 0.21137
80 20G-4 0.08487
81 21H 0 0.00000
82 21H+1 0.01717
83 21H-1 -0.03399
84 21H+2 0.00000
85 21H-2 0.00000
86 21H+3 0.01758
87 21H-3 -0.02835
88 21H+4 0.00000
89 21H-4 0.00000
90 21H+5 -0.01248
91 21H-5 -0.06629
92 2 S 1S 2.11018
93 2S 7.33582
94 3S 16.54341
95 4S 17.75159
96 5S -13.89841
97 6S 0.05726
98 7S 2.80910
99 8PX 0.22261
100 8PY 0.06404
101 8PZ 0.00000
102 9PX 0.45484
103 9PY 0.12059
104 9PZ 0.00000
105 10PX 2.35172
106 10PY 0.32201
107 10PZ 0.00000
108 11PX -7.38311
109 11PY -1.29038
110 11PZ 0.00000
111 12PX -3.24756
112 12PY 6.91756
113 12PZ 0.00000
114 13PX 0.00122
115 13PY 0.62922
116 13PZ 0.00000
117 14D 0 -1.17555
118 14D+1 0.00000
119 14D-1 0.00000
120 14D+2 -3.27877
121 14D-2 0.10310
122 15D 0 2.57845
123 15D+1 0.00000
124 15D-1 0.00000
125 15D+2 -3.82709
126 15D-2 1.18888
127 16D 0 -0.17327
128 16D+1 0.00000
129 16D-1 0.00000
130 16D+2 0.44641
131 16D-2 -0.16752
132 17D 0 -0.04073
133 17D+1 0.00000
134 17D-1 0.00000
135 17D+2 -0.02547
136 17D-2 0.01933
137 18F 0 0.00000
138 18F+1 0.03311
139 18F-1 -0.68796
140 18F+2 0.00000
141 18F-2 0.00000
142 18F+3 0.06258
143 18F-3 -0.64251
144 19F 0 0.00000
145 19F+1 1.31430
146 19F-1 -0.10188
147 19F+2 0.00000
148 19F-2 0.00000
149 19F+3 -1.69921
150 19F-3 0.69088
151 20F 0 0.00000
152 20F+1 0.18079
153 20F-1 0.01803
154 20F+2 0.00000
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156 20F+3 -0.18530
157 20F-3 0.14038
158 21G 0 -0.07724
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160 21G-1 0.00000
161 21G+2 0.36513
162 21G-2 -0.04463
163 21G+3 0.00000
164 21G-3 0.00000
165 21G+4 -0.22801
166 21G-4 0.16838
167 22G 0 -0.25178
168 22G+1 0.00000
169 22G-1 0.00000
170 22G+2 0.23806
171 22G-2 -0.08398
172 22G+3 0.00000
173 22G-3 0.00000
174 22G+4 -0.40160
175 22G-4 0.18397
176 23H 0 0.00000
177 23H+1 -0.12914
178 23H-1 0.01099
179 23H+2 0.00000
180 23H-2 0.00000
181 23H+3 0.11879
182 23H-3 -0.06287
183 23H+4 0.00000
184 23H-4 0.00000
185 23H+5 -0.13285
186 23H-5 0.09293
187 3 H 1S 0.09019
188 2S -1.86538
189 3S 8.48624
190 4S 3.56590
191 5S -0.07883
192 6PX -0.11503
193 6PY -0.00788
194 6PZ 0.00000
195 7PX 0.92244
196 7PY -0.05083
197 7PZ 0.00000
198 8PX -6.03195
199 8PY 0.63954
200 8PZ 0.00000
201 9PX -2.84105
202 9PY 0.27680
203 9PZ 0.00000
204 10D 0 0.17131
205 10D+1 0.00000
206 10D-1 0.00000
207 10D+2 -0.28447
208 10D-2 0.07160
209 11D 0 -0.68778
210 11D+1 0.00000
211 11D-1 0.00000
212 11D+2 1.12848
213 11D-2 -0.29418
214 12D 0 -1.11657
215 12D+1 0.00000
216 12D-1 0.00000
217 12D+2 2.00008
218 12D-2 -0.42609
219 13F 0 0.00000
220 13F+1 0.02065
221 13F-1 -0.00644
222 13F+2 0.00000
223 13F-2 0.00000
224 13F+3 -0.01968
225 13F-3 0.00905
226 14F 0 0.00000
227 14F+1 0.52804
228 14F-1 -0.05465
229 14F+2 0.00000
230 14F-2 0.00000
231 14F+3 -0.65346
232 14F-3 0.25715
233 15G 0 0.03243
234 15G+1 0.00000
235 15G-1 0.00000
236 15G+2 -0.04780
237 15G-2 0.01267
238 15G+3 0.00000
239 15G-3 0.00000
240 15G+4 0.05368
241 15G-4 -0.03646
242 4 H 1S -0.02957
243 2S -0.03543
244 3S 3.59276
245 4S -0.17037
246 5S -0.07514
247 6PX -0.01325
248 6PY -0.01708
249 6PZ 0.00000
250 7PX 0.04806
251 7PY 0.05038
252 7PZ 0.00000
253 8PX 1.32829
254 8PY -0.38941
255 8PZ 0.00000
256 9PX -0.18374
257 9PY -0.31543
258 9PZ 0.00000
259 10D 0 0.01152
260 10D+1 0.00000
261 10D-1 0.00000
262 10D+2 -0.01830
263 10D-2 -0.00643
264 11D 0 -0.11969
265 11D+1 0.00000
266 11D-1 0.00000
267 11D+2 0.21056
268 11D-2 -0.02924
269 12D 0 -0.07810
270 12D+1 0.00000
271 12D-1 0.00000
272 12D+2 -0.03464
273 12D-2 0.10730
274 13F 0 0.00000
275 13F+1 -0.01156
276 13F-1 0.01597
277 13F+2 0.00000
278 13F-2 0.00000
279 13F+3 0.01443
280 13F-3 -0.02378
281 14F 0 0.00000
282 14F+1 -0.00394
283 14F-1 -0.03530
284 14F+2 0.00000
285 14F-2 0.00000
286 14F+3 0.03950
287 14F-3 0.09469
288 15G 0 -0.00747
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290 15G-1 0.00000
291 15G+2 0.00128
292 15G-2 0.00124
293 15G+3 0.00000
294 15G-3 0.00000
295 15G+4 0.01133
296 15G-4 0.00566
297 5 H 1S -0.01908
298 2S -0.03118
299 3S 2.06169
300 4S -1.88970
301 5S 0.09299
302 6PX 0.00130
303 6PY -0.03535
304 6PZ 0.00037
305 7PX -0.00718
306 7PY 0.11478
307 7PZ 0.00191
308 8PX -0.35398
309 8PY -0.47200
310 8PZ -0.77431
311 9PX 0.31251
312 9PY 0.01567
313 9PZ 0.44719
314 10D 0 -0.00947
315 10D+1 -0.00537
316 10D-1 -0.01229
317 10D+2 -0.00349
318 10D-2 0.00451
319 11D 0 0.11239
320 11D+1 0.09055
321 11D-1 0.08139
322 11D+2 0.04241
323 11D-2 0.01185
324 12D 0 -0.05079
325 12D+1 0.05777
326 12D-1 -0.06455
327 12D+2 -0.20104
328 12D-2 -0.00695
329 13F 0 -0.00666
330 13F+1 -0.00681
331 13F-1 -0.02988
332 13F+2 -0.00637
333 13F-2 -0.01652
334 13F+3 -0.00055
335 13F-3 -0.01426
336 14F 0 -0.00361
337 14F+1 -0.01863
338 14F-1 0.06270
339 14F+2 0.01325
340 14F-2 0.01830
341 14F+3 0.00070
342 14F-3 0.05554
343 15G 0 0.00539
344 15G+1 -0.00264
345 15G-1 -0.00274
346 15G+2 0.00130
347 15G-2 0.00576
348 15G+3 0.00262
349 15G-3 -0.00313
350 15G+4 0.00377
351 15G-4 -0.00384
352 6 H 1S -0.01908
353 2S -0.03118
354 3S 2.06169
355 4S -1.88970
356 5S 0.09299
357 6PX 0.00130
358 6PY -0.03535
359 6PZ -0.00037
360 7PX -0.00718
361 7PY 0.11478
362 7PZ -0.00191
363 8PX -0.35398
364 8PY -0.47200
365 8PZ 0.77431
366 9PX 0.31251
367 9PY 0.01567
368 9PZ -0.44719
369 10D 0 -0.00947
370 10D+1 0.00537
371 10D-1 0.01229
372 10D+2 -0.00349
373 10D-2 0.00451
374 11D 0 0.11239
375 11D+1 -0.09055
376 11D-1 -0.08139
377 11D+2 0.04241
378 11D-2 0.01185
379 12D 0 -0.05079
380 12D+1 -0.05777
381 12D-1 0.06455
382 12D+2 -0.20104
383 12D-2 -0.00695
384 13F 0 0.00666
385 13F+1 -0.00681
386 13F-1 -0.02988
387 13F+2 0.00637
388 13F-2 0.01652
389 13F+3 -0.00055
390 13F-3 -0.01426
391 14F 0 0.00361
392 14F+1 -0.01863
393 14F-1 0.06270
394 14F+2 -0.01325
395 14F-2 -0.01830
396 14F+3 0.00070
397 14F-3 0.05554
398 15G 0 0.00539
399 15G+1 0.00264
400 15G-1 0.00274
401 15G+2 0.00130
402 15G-2 0.00576
403 15G+3 -0.00262
404 15G-3 0.00313
405 15G+4 0.00377
406 15G-4 -0.00384
Alpha Density Matrix:
1 2 3 4 5
1 1 C 1S 0.33024
2 2S -0.25469 0.20474
3 3S 0.04696 -0.03692 0.00674
4 4S -0.02410 0.04130 -0.00536 0.06392
5 5S -0.03435 0.05782 -0.00757 0.08807 0.12259
6 6S -0.00616 0.01047 -0.00141 0.01631 0.02269
7 7PX -0.00003 0.00004 -0.00003 0.00031 0.00026
8 7PY -0.00102 0.00141 -0.00001 0.00118 0.00201
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX -0.00004 0.00008 -0.00006 0.00055 0.00052
11 8PY -0.00085 0.00172 0.00011 0.00195 0.00333
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX -0.00020 0.00033 -0.00011 0.00118 0.00091
14 9PY -0.00102 0.00154 0.00033 0.00043 0.00179
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX -0.00038 0.00063 -0.00016 0.00150 0.00172
17 10PY -0.00106 0.00162 0.00017 0.00091 0.00261
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX -0.00020 0.00034 -0.00007 0.00067 0.00082
20 11PY -0.00025 0.00040 0.00004 0.00028 0.00044
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
22 12D 0 -0.00006 0.00007 -0.00001 0.00007 0.00010
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24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
25 12D+2 -0.00008 0.00010 -0.00001 0.00010 0.00014
26 12D-2 -0.00001 0.00002 0.00000 0.00002 0.00005
27 13D 0 -0.00002 0.00011 0.00000 0.00024 0.00033
28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
30 13D+2 -0.00002 0.00014 0.00001 0.00029 0.00040
31 13D-2 -0.00001 0.00003 -0.00001 0.00006 0.00016
32 14D 0 -0.00009 0.00013 0.00001 0.00010 0.00033
33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
35 14D+2 -0.00007 0.00009 0.00005 -0.00011 0.00002
36 14D-2 -0.00011 0.00017 -0.00003 0.00022 0.00064
37 15D 0 -0.00007 0.00011 -0.00001 0.00011 0.00033
38 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
39 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
40 15D+2 -0.00035 0.00053 -0.00004 0.00063 0.00093
41 15D-2 0.00005 -0.00009 0.00001 -0.00017 -0.00005
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
43 16F+1 -0.00002 0.00008 -0.00001 0.00017 0.00024
44 16F-1 -0.00002 0.00006 -0.00001 0.00011 0.00016
45 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
47 16F+3 0.00001 -0.00003 0.00000 -0.00007 -0.00008
48 16F-3 -0.00003 0.00006 -0.00001 0.00011 0.00016
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
50 17F+1 -0.00024 0.00049 -0.00006 0.00084 0.00121
51 17F-1 -0.00016 0.00033 -0.00004 0.00059 0.00082
52 17F+2 0.00000 0.00000 0.00000 0.00000 0.00000
53 17F-2 0.00000 0.00000 0.00000 0.00000 0.00000
54 17F+3 0.00008 -0.00017 0.00002 -0.00029 -0.00038
55 17F-3 -0.00016 0.00033 -0.00004 0.00059 0.00081
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
57 18F+1 -0.00042 0.00074 -0.00009 0.00111 0.00166
58 18F-1 -0.00034 0.00060 -0.00008 0.00094 0.00139
59 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
60 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
61 18F+3 0.00015 -0.00027 0.00003 -0.00041 -0.00054
62 18F-3 -0.00027 0.00050 -0.00007 0.00082 0.00110
63 19G 0 0.00000 0.00000 0.00000 0.00001 0.00001
64 19G+1 0.00000 0.00000 0.00000 0.00000 0.00000
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66 19G+2 0.00000 0.00000 0.00000 0.00000 0.00000
67 19G-2 0.00000 0.00003 0.00000 0.00008 0.00011
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00001 0.00000 0.00002 0.00003
71 19G-4 0.00000 -0.00001 0.00000 -0.00003 -0.00004
72 20G 0 0.00000 0.00002 0.00000 0.00006 0.00008
73 20G+1 0.00000 0.00000 0.00000 0.00000 0.00000
74 20G-1 0.00000 0.00000 0.00000 0.00000 0.00000
75 20G+2 0.00003 -0.00002 0.00000 0.00002 0.00000
76 20G-2 -0.00014 0.00024 -0.00003 0.00035 0.00049
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00004 -0.00001 0.00011 0.00016
80 20G-4 0.00005 -0.00009 0.00001 -0.00012 -0.00019
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
82 21H+1 0.00001 -0.00001 0.00000 0.00000 0.00000
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84 21H+2 0.00000 0.00000 0.00000 0.00000 0.00000
85 21H-2 0.00000 0.00000 0.00000 0.00000 0.00000
86 21H+3 0.00001 -0.00001 0.00000 -0.00001 -0.00002
87 21H-3 0.00000 0.00001 0.00000 0.00001 0.00001
88 21H+4 0.00000 0.00000 0.00000 0.00000 0.00000
89 21H-4 0.00000 0.00000 0.00000 0.00000 0.00000
90 21H+5 0.00000 0.00000 0.00000 -0.00001 -0.00001
91 21H-5 -0.00001 0.00001 0.00000 0.00001 0.00002
92 2 S 1S -0.00022 0.00028 -0.00009 0.00009 0.00113
93 2S 0.00030 -0.00038 0.00015 -0.00029 -0.00140
94 3S -0.00068 0.00074 -0.00035 -0.00004 0.00335
95 4S 0.00038 -0.00053 0.00016 -0.00042 -0.00171
96 5S -0.00010 -0.00008 -0.00020 -0.00139 0.00180
97 6S -0.00041 -0.00021 -0.00029 -0.00310 0.00287
98 7S 0.00255 -0.00466 0.00058 -0.00904 -0.00576
99 8PX 0.00001 -0.00004 -0.00002 -0.00032 0.00179
100 8PY 0.00216 -0.00358 0.00058 -0.00584 -0.00798
101 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
102 9PX -0.00004 0.00010 0.00005 0.00070 -0.00385
103 9PY -0.00454 0.00753 -0.00124 0.01235 0.01670
104 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
105 10PX -0.00012 0.00023 0.00003 0.00056 -0.00195
106 10PY -0.00199 0.00331 -0.00059 0.00564 0.00683
107 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
108 11PX 0.00003 0.00006 0.00023 0.00091 -0.00905
109 11PY -0.00907 0.01496 -0.00258 0.02487 0.03138
110 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
111 12PX 0.00047 -0.00065 0.00034 -0.00028 -0.00969
112 12PY -0.00898 0.01446 -0.00252 0.02376 0.02933
113 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000
114 13PX -0.00045 0.00078 -0.00008 0.00154 -0.00064
115 13PY -0.00126 0.00203 -0.00041 0.00370 0.00333
116 13PZ 0.00000 0.00000 0.00000 0.00000 0.00000
117 14D 0 0.00069 -0.00108 0.00015 -0.00166 -0.00174
118 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
119 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
120 14D+2 0.00207 -0.00325 0.00054 -0.00500 -0.00720
121 14D-2 -0.00013 0.00020 -0.00005 0.00037 0.00046
122 15D 0 0.00097 -0.00157 0.00023 -0.00248 -0.00255
123 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
124 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
125 15D+2 0.00242 -0.00393 0.00066 -0.00617 -0.00955
126 15D-2 -0.00012 0.00020 -0.00005 0.00040 0.00075
127 16D 0 0.00028 -0.00048 0.00007 -0.00080 -0.00075
128 16D+1 0.00000 0.00000 0.00000 0.00000 0.00000
129 16D-1 0.00000 0.00000 0.00000 0.00000 0.00000
130 16D+2 0.00056 -0.00094 0.00016 -0.00153 -0.00248
131 16D-2 -0.00005 0.00007 -0.00002 0.00013 0.00026
132 17D 0 0.00015 -0.00024 0.00004 -0.00039 -0.00038
133 17D+1 0.00000 0.00000 0.00000 0.00000 0.00000
134 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000
135 17D+2 0.00033 -0.00054 0.00009 -0.00085 -0.00136
136 17D-2 -0.00002 0.00003 -0.00001 0.00006 0.00012
137 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
138 18F+1 -0.00007 0.00011 -0.00002 0.00018 0.00033
139 18F-1 0.00029 -0.00044 0.00007 -0.00066 -0.00090
140 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
141 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
142 18F+3 0.00014 -0.00021 0.00003 -0.00033 -0.00041
143 18F-3 0.00032 -0.00049 0.00007 -0.00069 -0.00093
144 19F 0 0.00000 0.00000 0.00000 0.00000 0.00000
145 19F+1 -0.00009 0.00014 -0.00003 0.00022 0.00049
146 19F-1 0.00039 -0.00062 0.00010 -0.00096 -0.00129
147 19F+2 0.00000 0.00000 0.00000 0.00000 0.00000
148 19F-2 0.00000 0.00000 0.00000 0.00000 0.00000
149 19F+3 0.00010 -0.00016 0.00003 -0.00027 -0.00052
150 19F-3 0.00041 -0.00065 0.00010 -0.00098 -0.00127
151 20F 0 0.00000 0.00000 0.00000 0.00000 0.00000
152 20F+1 -0.00001 0.00002 0.00000 0.00002 0.00012
153 20F-1 0.00011 -0.00019 0.00003 -0.00030 -0.00042
154 20F+2 0.00000 0.00000 0.00000 0.00000 0.00000
155 20F-2 0.00000 0.00000 0.00000 0.00000 0.00000
156 20F+3 0.00001 -0.00001 0.00000 -0.00002 -0.00012
157 20F-3 0.00011 -0.00019 0.00003 -0.00031 -0.00038
158 21G 0 -0.00006 0.00010 -0.00001 0.00014 0.00017
159 21G+1 0.00000 0.00000 0.00000 0.00000 0.00000
160 21G-1 0.00000 0.00000 0.00000 0.00000 0.00000
161 21G+2 -0.00015 0.00024 -0.00004 0.00037 0.00054
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406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
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404 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
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394 14F+2 0.00000 0.00000 0.00000 0.00000
395 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
396 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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Beta Density Matrix:
1 2 3 4 5
1 1 C 1S 0.33024
2 2S -0.25469 0.20474
3 3S 0.04696 -0.03692 0.00674
4 4S -0.02410 0.04130 -0.00536 0.06392
5 5S -0.03435 0.05782 -0.00757 0.08807 0.12259
6 6S -0.00616 0.01047 -0.00141 0.01631 0.02269
7 7PX -0.00003 0.00004 -0.00003 0.00031 0.00026
8 7PY -0.00102 0.00141 -0.00001 0.00118 0.00201
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10 8PX -0.00004 0.00008 -0.00006 0.00055 0.00052
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13 9PX -0.00020 0.00033 -0.00011 0.00118 0.00091
14 9PY -0.00102 0.00154 0.00033 0.00043 0.00179
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16 10PX -0.00038 0.00063 -0.00016 0.00150 0.00172
17 10PY -0.00106 0.00162 0.00017 0.00091 0.00261
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19 11PX -0.00020 0.00034 -0.00007 0.00067 0.00082
20 11PY -0.00025 0.00040 0.00004 0.00028 0.00044
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62 18F-3 -0.00027 0.00050 -0.00007 0.00082 0.00110
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106 10PY -0.00199 0.00331 -0.00059 0.00564 0.00683
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115 13PY -0.00126 0.00203 -0.00041 0.00370 0.00333
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119 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
120 14D+2 0.00207 -0.00325 0.00054 -0.00500 -0.00720
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127 16D 0 0.00028 -0.00048 0.00007 -0.00080 -0.00075
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129 16D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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132 17D 0 0.00015 -0.00024 0.00004 -0.00039 -0.00038
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134 17D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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143 18F-3 0.00032 -0.00049 0.00007 -0.00069 -0.00093
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146 19F-1 0.00039 -0.00062 0.00010 -0.00096 -0.00129
147 19F+2 0.00000 0.00000 0.00000 0.00000 0.00000
148 19F-2 0.00000 0.00000 0.00000 0.00000 0.00000
149 19F+3 0.00010 -0.00016 0.00003 -0.00027 -0.00052
150 19F-3 0.00041 -0.00065 0.00010 -0.00098 -0.00127
151 20F 0 0.00000 0.00000 0.00000 0.00000 0.00000
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153 20F-1 0.00011 -0.00019 0.00003 -0.00030 -0.00042
154 20F+2 0.00000 0.00000 0.00000 0.00000 0.00000
155 20F-2 0.00000 0.00000 0.00000 0.00000 0.00000
156 20F+3 0.00001 -0.00001 0.00000 -0.00002 -0.00012
157 20F-3 0.00011 -0.00019 0.00003 -0.00031 -0.00038
158 21G 0 -0.00006 0.00010 -0.00001 0.00014 0.00017
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161 21G+2 -0.00015 0.00024 -0.00004 0.00037 0.00054
162 21G-2 0.00000 0.00000 0.00000 0.00000 0.00000
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164 21G-3 0.00000 0.00000 0.00000 0.00000 0.00000
165 21G+4 -0.00007 0.00011 -0.00002 0.00016 0.00022
166 21G-4 0.00002 -0.00002 0.00000 -0.00003 0.00000
167 22G 0 -0.00002 0.00003 0.00000 0.00005 0.00005
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174 22G+4 -0.00003 0.00005 -0.00001 0.00008 0.00009
175 22G-4 -0.00001 0.00001 0.00000 0.00002 0.00004
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186 23H-5 -0.00002 0.00003 -0.00001 0.00006 0.00009
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188 2S 0.00059 -0.00097 0.00023 -0.00151 -0.00503
189 3S 0.00058 -0.00100 0.00033 -0.00151 -0.00852
190 4S -0.00036 0.00059 0.00012 0.00131 -0.00630
191 5S 0.00032 -0.00050 0.00015 -0.00079 -0.00263
192 6PX -0.00001 0.00001 0.00000 0.00002 0.00006
193 6PY -0.00001 0.00002 0.00000 0.00003 0.00004
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197 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
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405 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
406 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
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406
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Gross orbital populations:
Total Alpha Beta Spin
1 1 C 1S 1.09960 0.54980 0.54980 0.00000
2 2S 0.78709 0.39354 0.39354 0.00000
3 3S 0.09593 0.04797 0.04797 0.00000
4 4S 0.37201 0.18600 0.18600 0.00000
5 5S 0.65353 0.32676 0.32676 0.00000
6 6S 0.09364 0.04682 0.04682 0.00000
7 7PX 0.06638 0.03319 0.03319 0.00000
8 7PY 0.05169 0.02584 0.02584 0.00000
9 7PZ 0.06680 0.03340 0.03340 0.00000
10 8PX 0.20504 0.10252 0.10252 0.00000
11 8PY 0.16029 0.08014 0.08014 0.00000
12 8PZ 0.20632 0.10316 0.10316 0.00000
13 9PX 0.40994 0.20497 0.20497 0.00000
14 9PY 0.37351 0.18676 0.18676 0.00000
15 9PZ 0.40732 0.20366 0.20366 0.00000
16 10PX 0.27360 0.13680 0.13680 0.00000
17 10PY 0.25800 0.12900 0.12900 0.00000
18 10PZ 0.27083 0.13542 0.13542 0.00000
19 11PX 0.04434 0.02217 0.02217 0.00000
20 11PY 0.02262 0.01131 0.01131 0.00000
21 11PZ 0.02795 0.01398 0.01398 0.00000
22 12D 0 0.00014 0.00007 0.00007 0.00000
23 12D+1 0.00013 0.00006 0.00006 0.00000
24 12D-1 0.00012 0.00006 0.00006 0.00000
25 12D+2 0.00015 0.00008 0.00008 0.00000
26 12D-2 0.00006 0.00003 0.00003 0.00000
27 13D 0 0.00173 0.00087 0.00087 0.00000
28 13D+1 0.00144 0.00072 0.00072 0.00000
29 13D-1 0.00167 0.00083 0.00083 0.00000
30 13D+2 0.00208 0.00104 0.00104 0.00000
31 13D-2 0.00082 0.00041 0.00041 0.00000
32 14D 0 0.01060 0.00530 0.00530 0.00000
33 14D+1 0.00677 0.00338 0.00338 0.00000
34 14D-1 0.00718 0.00359 0.00359 0.00000
35 14D+2 0.01476 0.00738 0.00738 0.00000
36 14D-2 0.00502 0.00251 0.00251 0.00000
37 15D 0 0.00492 0.00246 0.00246 0.00000
38 15D+1 0.00309 0.00155 0.00155 0.00000
39 15D-1 0.00500 0.00250 0.00250 0.00000
40 15D+2 0.00629 0.00315 0.00315 0.00000
41 15D-2 0.00560 0.00280 0.00280 0.00000
42 16F 0 0.00000 0.00000 0.00000 0.00000
43 16F+1 0.00004 0.00002 0.00002 0.00000
44 16F-1 0.00003 0.00001 0.00001 0.00000
45 16F+2 0.00000 0.00000 0.00000 0.00000
46 16F-2 0.00002 0.00001 0.00001 0.00000
47 16F+3 0.00001 0.00001 0.00001 0.00000
48 16F-3 0.00002 0.00001 0.00001 0.00000
49 17F 0 0.00014 0.00007 0.00007 0.00000
50 17F+1 0.00076 0.00038 0.00038 0.00000
51 17F-1 0.00040 0.00020 0.00020 0.00000
52 17F+2 0.00024 0.00012 0.00012 0.00000
53 17F-2 0.00016 0.00008 0.00008 0.00000
54 17F+3 0.00024 0.00012 0.00012 0.00000
55 17F-3 0.00042 0.00021 0.00021 0.00000
56 18F 0 0.00023 0.00012 0.00012 0.00000
57 18F+1 0.00180 0.00090 0.00090 0.00000
58 18F-1 0.00072 0.00036 0.00036 0.00000
59 18F+2 0.00113 0.00056 0.00056 0.00000
60 18F-2 0.00004 0.00002 0.00002 0.00000
61 18F+3 0.00073 0.00036 0.00036 0.00000
62 18F-3 0.00067 0.00033 0.00033 0.00000
63 19G 0 0.00001 0.00000 0.00000 0.00000
64 19G+1 0.00001 0.00001 0.00001 0.00000
65 19G-1 0.00001 0.00000 0.00000 0.00000
66 19G+2 0.00001 0.00001 0.00001 0.00000
67 19G-2 0.00002 0.00001 0.00001 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00001 0.00000 0.00000 0.00000
71 19G-4 0.00001 0.00001 0.00001 0.00000
72 20G 0 0.00016 0.00008 0.00008 0.00000
73 20G+1 0.00024 0.00012 0.00012 0.00000
74 20G-1 0.00031 0.00016 0.00016 0.00000
75 20G+2 0.00027 0.00013 0.00013 0.00000
76 20G-2 0.00034 0.00017 0.00017 0.00000
77 20G+3 0.00001 0.00001 0.00001 0.00000
78 20G-3 0.00017 0.00009 0.00009 0.00000
79 20G+4 0.00022 0.00011 0.00011 0.00000
80 20G-4 0.00027 0.00014 0.00014 0.00000
81 21H 0 0.00000 0.00000 0.00000 0.00000
82 21H+1 0.00001 0.00000 0.00000 0.00000
83 21H-1 0.00001 0.00000 0.00000 0.00000
84 21H+2 0.00000 0.00000 0.00000 0.00000
85 21H-2 0.00003 0.00001 0.00001 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00002 0.00001 0.00001 0.00000
88 21H+4 0.00000 0.00000 0.00000 0.00000
89 21H-4 0.00000 0.00000 0.00000 0.00000
90 21H+5 0.00001 0.00000 0.00000 0.00000
91 21H-5 0.00002 0.00001 0.00001 0.00000
92 2 S 1S 1.99952 0.99976 0.99976 0.00000
93 2S 0.67187 0.33594 0.33594 0.00000
94 3S 1.07837 0.53919 0.53919 0.00000
95 4S 0.19877 0.09938 0.09938 0.00000
96 5S 0.53643 0.26822 0.26822 0.00000
97 6S 1.00886 0.50443 0.50443 0.00000
98 7S 0.35739 0.17870 0.17870 0.00000
99 8PX 0.64920 0.32460 0.32460 0.00000
100 8PY 0.64815 0.32407 0.32407 0.00000
101 8PZ 0.65916 0.32958 0.32958 0.00000
102 9PX 1.27110 0.63555 0.63555 0.00000
103 9PY 1.27127 0.63564 0.63564 0.00000
104 9PZ 1.26951 0.63475 0.63475 0.00000
105 10PX 0.16020 0.08010 0.08010 0.00000
106 10PY 0.15527 0.07764 0.07764 0.00000
107 10PZ 0.19860 0.09930 0.09930 0.00000
108 11PX 0.45493 0.22746 0.22746 0.00000
109 11PY 0.44062 0.22031 0.22031 0.00000
110 11PZ 0.65147 0.32574 0.32574 0.00000
111 12PX 0.48616 0.24308 0.24308 0.00000
112 12PY 0.50113 0.25057 0.25057 0.00000
113 12PZ 0.84431 0.42215 0.42215 0.00000
114 13PX 0.09759 0.04879 0.04879 0.00000
115 13PY 0.07321 0.03660 0.03660 0.00000
116 13PZ 0.33200 0.16600 0.16600 0.00000
117 14D 0 0.00766 0.00383 0.00383 0.00000
118 14D+1 0.00017 0.00009 0.00009 0.00000
119 14D-1 0.00632 0.00316 0.00316 0.00000
120 14D+2 0.03288 0.01644 0.01644 0.00000
121 14D-2 0.01034 0.00517 0.00517 0.00000
122 15D 0 0.01029 0.00514 0.00514 0.00000
123 15D+1 0.00014 0.00007 0.00007 0.00000
124 15D-1 0.00421 0.00210 0.00210 0.00000
125 15D+2 0.04247 0.02123 0.02123 0.00000
126 15D-2 0.00626 0.00313 0.00313 0.00000
127 16D 0 0.00182 0.00091 0.00091 0.00000
128 16D+1 0.00005 0.00002 0.00002 0.00000
129 16D-1 0.00034 0.00017 0.00017 0.00000
130 16D+2 0.00599 0.00300 0.00300 0.00000
131 16D-2 0.00062 0.00031 0.00031 0.00000
132 17D 0 0.00033 0.00017 0.00017 0.00000
133 17D+1 0.00001 0.00000 0.00000 0.00000
134 17D-1 0.00008 0.00004 0.00004 0.00000
135 17D+2 0.00125 0.00063 0.00063 0.00000
136 17D-2 0.00013 0.00007 0.00007 0.00000
137 18F 0 0.00068 0.00034 0.00034 0.00000
138 18F+1 0.00104 0.00052 0.00052 0.00000
139 18F-1 0.00092 0.00046 0.00046 0.00000
140 18F+2 0.00097 0.00048 0.00048 0.00000
141 18F-2 0.00014 0.00007 0.00007 0.00000
142 18F+3 0.00285 0.00143 0.00143 0.00000
143 18F-3 0.00116 0.00058 0.00058 0.00000
144 19F 0 0.00046 0.00023 0.00023 0.00000
145 19F+1 0.00116 0.00058 0.00058 0.00000
146 19F-1 0.00131 0.00066 0.00066 0.00000
147 19F+2 0.00066 0.00033 0.00033 0.00000
148 19F-2 0.00002 0.00001 0.00001 0.00000
149 19F+3 0.00253 0.00127 0.00127 0.00000
150 19F-3 0.00136 0.00068 0.00068 0.00000
151 20F 0 0.00006 0.00003 0.00003 0.00000
152 20F+1 0.00024 0.00012 0.00012 0.00000
153 20F-1 0.00019 0.00009 0.00009 0.00000
154 20F+2 0.00005 0.00003 0.00003 0.00000
155 20F-2 0.00001 0.00000 0.00000 0.00000
156 20F+3 0.00037 0.00019 0.00019 0.00000
157 20F-3 0.00024 0.00012 0.00012 0.00000
158 21G 0 0.00014 0.00007 0.00007 0.00000
159 21G+1 0.00000 0.00000 0.00000 0.00000
160 21G-1 0.00035 0.00017 0.00017 0.00000
161 21G+2 0.00045 0.00022 0.00022 0.00000
162 21G-2 0.00014 0.00007 0.00007 0.00000
163 21G+3 0.00001 0.00001 0.00001 0.00000
164 21G-3 0.00018 0.00009 0.00009 0.00000
165 21G+4 0.00020 0.00010 0.00010 0.00000
166 21G-4 0.00047 0.00024 0.00024 0.00000
167 22G 0 0.00003 0.00001 0.00001 0.00000
168 22G+1 0.00000 0.00000 0.00000 0.00000
169 22G-1 0.00002 0.00001 0.00001 0.00000
170 22G+2 0.00008 0.00004 0.00004 0.00000
171 22G-2 0.00001 0.00000 0.00000 0.00000
172 22G+3 0.00000 0.00000 0.00000 0.00000
173 22G-3 0.00001 0.00001 0.00001 0.00000
174 22G+4 0.00008 0.00004 0.00004 0.00000
175 22G-4 0.00004 0.00002 0.00002 0.00000
176 23H 0 0.00001 0.00000 0.00000 0.00000
177 23H+1 0.00002 0.00001 0.00001 0.00000
178 23H-1 0.00002 0.00001 0.00001 0.00000
179 23H+2 0.00001 0.00001 0.00001 0.00000
180 23H-2 0.00000 0.00000 0.00000 0.00000
181 23H+3 0.00003 0.00001 0.00001 0.00000
182 23H-3 0.00001 0.00001 0.00001 0.00000
183 23H+4 0.00001 0.00000 0.00000 0.00000
184 23H-4 0.00000 0.00000 0.00000 0.00000
185 23H+5 0.00005 0.00003 0.00003 0.00000
186 23H-5 0.00005 0.00003 0.00003 0.00000
187 3 H 1S 0.03184 0.01592 0.01592 0.00000
188 2S 0.13599 0.06799 0.06799 0.00000
189 3S 0.36370 0.18185 0.18185 0.00000
190 4S 0.31333 0.15666 0.15666 0.00000
191 5S 0.03680 0.01840 0.01840 0.00000
192 6PX 0.00018 0.00009 0.00009 0.00000
193 6PY 0.00002 0.00001 0.00001 0.00000
194 6PZ 0.00004 0.00002 0.00002 0.00000
195 7PX 0.00156 0.00078 0.00078 0.00000
196 7PY 0.00020 0.00010 0.00010 0.00000
197 7PZ 0.00054 0.00027 0.00027 0.00000
198 8PX 0.01259 0.00630 0.00630 0.00000
199 8PY 0.00301 0.00150 0.00150 0.00000
200 8PZ 0.00516 0.00258 0.00258 0.00000
201 9PX -0.00207 -0.00104 -0.00104 0.00000
202 9PY 0.00834 0.00417 0.00417 0.00000
203 9PZ 0.01877 0.00938 0.00938 0.00000
204 10D 0 0.00001 0.00000 0.00000 0.00000
205 10D+1 0.00001 0.00001 0.00001 0.00000
206 10D-1 0.00000 0.00000 0.00000 0.00000
207 10D+2 0.00002 0.00001 0.00001 0.00000
208 10D-2 0.00001 0.00000 0.00000 0.00000
209 11D 0 0.00013 0.00006 0.00006 0.00000
210 11D+1 0.00032 0.00016 0.00016 0.00000
211 11D-1 0.00001 0.00000 0.00000 0.00000
212 11D+2 0.00030 0.00015 0.00015 0.00000
213 11D-2 0.00019 0.00009 0.00009 0.00000
214 12D 0 0.00025 0.00013 0.00013 0.00000
215 12D+1 0.00271 0.00135 0.00135 0.00000
216 12D-1 0.00005 0.00002 0.00002 0.00000
217 12D+2 0.00035 0.00017 0.00017 0.00000
218 12D-2 0.00186 0.00093 0.00093 0.00000
219 13F 0 0.00000 0.00000 0.00000 0.00000
220 13F+1 0.00000 0.00000 0.00000 0.00000
221 13F-1 0.00000 0.00000 0.00000 0.00000
222 13F+2 0.00000 0.00000 0.00000 0.00000
223 13F-2 0.00000 0.00000 0.00000 0.00000
224 13F+3 0.00000 0.00000 0.00000 0.00000
225 13F-3 0.00000 0.00000 0.00000 0.00000
226 14F 0 0.00009 0.00005 0.00005 0.00000
227 14F+1 0.00005 0.00002 0.00002 0.00000
228 14F-1 0.00002 0.00001 0.00001 0.00000
229 14F+2 0.00014 0.00007 0.00007 0.00000
230 14F-2 0.00001 0.00000 0.00000 0.00000
231 14F+3 0.00008 0.00004 0.00004 0.00000
232 14F-3 0.00013 0.00006 0.00006 0.00000
233 15G 0 0.00000 0.00000 0.00000 0.00000
234 15G+1 0.00000 0.00000 0.00000 0.00000
235 15G-1 0.00000 0.00000 0.00000 0.00000
236 15G+2 0.00000 0.00000 0.00000 0.00000
237 15G-2 0.00000 0.00000 0.00000 0.00000
238 15G+3 0.00000 0.00000 0.00000 0.00000
239 15G-3 0.00000 0.00000 0.00000 0.00000
240 15G+4 0.00000 0.00000 0.00000 0.00000
241 15G-4 0.00000 0.00000 0.00000 0.00000
242 4 H 1S 0.03629 0.01814 0.01814 0.00000
243 2S 0.14966 0.07483 0.07483 0.00000
244 3S 0.38333 0.19166 0.19166 0.00000
245 4S 0.30943 0.15472 0.15472 0.00000
246 5S 0.02640 0.01320 0.01320 0.00000
247 6PX 0.00022 0.00011 0.00011 0.00000
248 6PY 0.00005 0.00002 0.00002 0.00000
249 6PZ 0.00003 0.00002 0.00002 0.00000
250 7PX 0.00183 0.00091 0.00091 0.00000
251 7PY 0.00047 0.00024 0.00024 0.00000
252 7PZ 0.00037 0.00018 0.00018 0.00000
253 8PX 0.01348 0.00674 0.00674 0.00000
254 8PY 0.00379 0.00190 0.00190 0.00000
255 8PZ 0.00295 0.00147 0.00147 0.00000
256 9PX 0.00496 0.00248 0.00248 0.00000
257 9PY 0.00671 0.00336 0.00336 0.00000
258 9PZ 0.00777 0.00388 0.00388 0.00000
259 10D 0 0.00001 0.00000 0.00000 0.00000
260 10D+1 0.00002 0.00001 0.00001 0.00000
261 10D-1 0.00000 0.00000 0.00000 0.00000
262 10D+2 0.00002 0.00001 0.00001 0.00000
263 10D-2 0.00002 0.00001 0.00001 0.00000
264 11D 0 0.00019 0.00009 0.00009 0.00000
265 11D+1 0.00024 0.00012 0.00012 0.00000
266 11D-1 0.00000 0.00000 0.00000 0.00000
267 11D+2 0.00044 0.00022 0.00022 0.00000
268 11D-2 0.00027 0.00014 0.00014 0.00000
269 12D 0 0.00027 0.00013 0.00013 0.00000
270 12D+1 0.00139 0.00070 0.00070 0.00000
271 12D-1 0.00013 0.00006 0.00006 0.00000
272 12D+2 0.00078 0.00039 0.00039 0.00000
273 12D-2 0.00088 0.00044 0.00044 0.00000
274 13F 0 0.00000 0.00000 0.00000 0.00000
275 13F+1 0.00001 0.00000 0.00000 0.00000
276 13F-1 0.00000 0.00000 0.00000 0.00000
277 13F+2 0.00000 0.00000 0.00000 0.00000
278 13F-2 0.00000 0.00000 0.00000 0.00000
279 13F+3 0.00001 0.00000 0.00000 0.00000
280 13F-3 0.00001 0.00000 0.00000 0.00000
281 14F 0 0.00004 0.00002 0.00002 0.00000
282 14F+1 0.00004 0.00002 0.00002 0.00000
283 14F-1 0.00000 0.00000 0.00000 0.00000
284 14F+2 0.00009 0.00005 0.00005 0.00000
285 14F-2 0.00000 0.00000 0.00000 0.00000
286 14F+3 0.00004 0.00002 0.00002 0.00000
287 14F-3 0.00005 0.00002 0.00002 0.00000
288 15G 0 0.00000 0.00000 0.00000 0.00000
289 15G+1 0.00000 0.00000 0.00000 0.00000
290 15G-1 0.00000 0.00000 0.00000 0.00000
291 15G+2 0.00000 0.00000 0.00000 0.00000
292 15G-2 0.00000 0.00000 0.00000 0.00000
293 15G+3 0.00000 0.00000 0.00000 0.00000
294 15G-3 0.00000 0.00000 0.00000 0.00000
295 15G+4 0.00000 0.00000 0.00000 0.00000
296 15G-4 0.00000 0.00000 0.00000 0.00000
297 5 H 1S 0.03645 0.01823 0.01823 0.00000
298 2S 0.15002 0.07501 0.07501 0.00000
299 3S 0.39212 0.19606 0.19606 0.00000
300 4S 0.30671 0.15336 0.15336 0.00000
301 5S 0.02686 0.01343 0.01343 0.00000
302 6PX 0.00007 0.00004 0.00004 0.00000
303 6PY 0.00006 0.00003 0.00003 0.00000
304 6PZ 0.00017 0.00009 0.00009 0.00000
305 7PX 0.00064 0.00032 0.00032 0.00000
306 7PY 0.00058 0.00029 0.00029 0.00000
307 7PZ 0.00144 0.00072 0.00072 0.00000
308 8PX 0.00530 0.00265 0.00265 0.00000
309 8PY 0.00417 0.00208 0.00208 0.00000
310 8PZ 0.01086 0.00543 0.00543 0.00000
311 9PX 0.00635 0.00318 0.00318 0.00000
312 9PY 0.00554 0.00277 0.00277 0.00000
313 9PZ 0.00429 0.00214 0.00214 0.00000
314 10D 0 0.00002 0.00001 0.00001 0.00000
315 10D+1 0.00002 0.00001 0.00001 0.00000
316 10D-1 0.00002 0.00001 0.00001 0.00000
317 10D+2 0.00001 0.00000 0.00000 0.00000
318 10D-2 0.00001 0.00000 0.00000 0.00000
319 11D 0 0.00034 0.00017 0.00017 0.00000
320 11D+1 0.00037 0.00018 0.00018 0.00000
321 11D-1 0.00028 0.00014 0.00014 0.00000
322 11D+2 0.00008 0.00004 0.00004 0.00000
323 11D-2 0.00008 0.00004 0.00004 0.00000
324 12D 0 0.00085 0.00043 0.00043 0.00000
325 12D+1 0.00076 0.00038 0.00038 0.00000
326 12D-1 0.00045 0.00023 0.00023 0.00000
327 12D+2 0.00041 0.00021 0.00021 0.00000
328 12D-2 0.00013 0.00006 0.00006 0.00000
329 13F 0 0.00001 0.00000 0.00000 0.00000
330 13F+1 0.00001 0.00000 0.00000 0.00000
331 13F-1 0.00001 0.00000 0.00000 0.00000
332 13F+2 0.00000 0.00000 0.00000 0.00000
333 13F-2 0.00001 0.00000 0.00000 0.00000
334 13F+3 0.00000 0.00000 0.00000 0.00000
335 13F-3 0.00000 0.00000 0.00000 0.00000
336 14F 0 0.00006 0.00003 0.00003 0.00000
337 14F+1 0.00004 0.00002 0.00002 0.00000
338 14F-1 0.00003 0.00001 0.00001 0.00000
339 14F+2 0.00000 0.00000 0.00000 0.00000
340 14F-2 0.00002 0.00001 0.00001 0.00000
341 14F+3 0.00000 0.00000 0.00000 0.00000
342 14F-3 0.00001 0.00000 0.00000 0.00000
343 15G 0 0.00000 0.00000 0.00000 0.00000
344 15G+1 0.00000 0.00000 0.00000 0.00000
345 15G-1 0.00000 0.00000 0.00000 0.00000
346 15G+2 0.00000 0.00000 0.00000 0.00000
347 15G-2 0.00000 0.00000 0.00000 0.00000
348 15G+3 0.00000 0.00000 0.00000 0.00000
349 15G-3 0.00000 0.00000 0.00000 0.00000
350 15G+4 0.00000 0.00000 0.00000 0.00000
351 15G-4 0.00000 0.00000 0.00000 0.00000
352 6 H 1S 0.03645 0.01823 0.01823 0.00000
353 2S 0.15002 0.07501 0.07501 0.00000
354 3S 0.39212 0.19606 0.19606 0.00000
355 4S 0.30671 0.15336 0.15336 0.00000
356 5S 0.02686 0.01343 0.01343 0.00000
357 6PX 0.00007 0.00004 0.00004 0.00000
358 6PY 0.00006 0.00003 0.00003 0.00000
359 6PZ 0.00017 0.00009 0.00009 0.00000
360 7PX 0.00064 0.00032 0.00032 0.00000
361 7PY 0.00058 0.00029 0.00029 0.00000
362 7PZ 0.00144 0.00072 0.00072 0.00000
363 8PX 0.00530 0.00265 0.00265 0.00000
364 8PY 0.00417 0.00208 0.00208 0.00000
365 8PZ 0.01086 0.00543 0.00543 0.00000
366 9PX 0.00635 0.00318 0.00318 0.00000
367 9PY 0.00554 0.00277 0.00277 0.00000
368 9PZ 0.00429 0.00214 0.00214 0.00000
369 10D 0 0.00002 0.00001 0.00001 0.00000
370 10D+1 0.00002 0.00001 0.00001 0.00000
371 10D-1 0.00002 0.00001 0.00001 0.00000
372 10D+2 0.00001 0.00000 0.00000 0.00000
373 10D-2 0.00001 0.00000 0.00000 0.00000
374 11D 0 0.00034 0.00017 0.00017 0.00000
375 11D+1 0.00037 0.00018 0.00018 0.00000
376 11D-1 0.00028 0.00014 0.00014 0.00000
377 11D+2 0.00008 0.00004 0.00004 0.00000
378 11D-2 0.00008 0.00004 0.00004 0.00000
379 12D 0 0.00085 0.00043 0.00043 0.00000
380 12D+1 0.00076 0.00038 0.00038 0.00000
381 12D-1 0.00045 0.00023 0.00023 0.00000
382 12D+2 0.00041 0.00021 0.00021 0.00000
383 12D-2 0.00013 0.00006 0.00006 0.00000
384 13F 0 0.00001 0.00000 0.00000 0.00000
385 13F+1 0.00001 0.00000 0.00000 0.00000
386 13F-1 0.00001 0.00000 0.00000 0.00000
387 13F+2 0.00000 0.00000 0.00000 0.00000
388 13F-2 0.00001 0.00000 0.00000 0.00000
389 13F+3 0.00000 0.00000 0.00000 0.00000
390 13F-3 0.00000 0.00000 0.00000 0.00000
391 14F 0 0.00006 0.00003 0.00003 0.00000
392 14F+1 0.00004 0.00002 0.00002 0.00000
393 14F-1 0.00003 0.00001 0.00001 0.00000
394 14F+2 0.00000 0.00000 0.00000 0.00000
395 14F-2 0.00002 0.00001 0.00001 0.00000
396 14F+3 0.00000 0.00000 0.00000 0.00000
397 14F-3 0.00001 0.00000 0.00000 0.00000
398 15G 0 0.00000 0.00000 0.00000 0.00000
399 15G+1 0.00000 0.00000 0.00000 0.00000
400 15G-1 0.00000 0.00000 0.00000 0.00000
401 15G+2 0.00000 0.00000 0.00000 0.00000
402 15G-2 0.00000 0.00000 0.00000 0.00000
403 15G+3 0.00000 0.00000 0.00000 0.00000
404 15G-3 0.00000 0.00000 0.00000 0.00000
405 15G+4 0.00000 0.00000 0.00000 0.00000
406 15G-4 0.00000 0.00000 0.00000 0.00000
Condensed to atoms (all electrons):
1 2 3 4 5 6
1 C 4.474983 0.303532 -0.011124 0.412478 0.427066 0.427066
2 S 0.303532 15.675403 0.306210 -0.033574 -0.043144 -0.043144
3 H -0.011124 0.306210 0.646050 0.006035 -0.005228 -0.005228
4 H 0.412478 -0.033574 0.006035 0.627874 -0.030054 -0.030054
5 H 0.427066 -0.043144 -0.005228 -0.030054 0.657674 -0.050665
6 H 0.427066 -0.043144 -0.005228 -0.030054 -0.050665 0.657674
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 S 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
Mulliken charges and spin densities:
1 2
1 C -0.034002 0.000000
2 S -0.165282 0.000000
3 H 0.063286 0.000000
4 H 0.047296 0.000000
5 H 0.044351 0.000000
6 H 0.044351 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 0.101996 0.000000
2 S -0.101996 0.000000
Electronic spatial extent (au): <R**2>= 145.8808
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.7579 Y= 1.4846 Z= 0.0000 Tot= 1.6669
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -19.3270 YY= -20.5462 ZZ= -22.7771
XY= -1.2944 XZ= 0.0000 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= 1.5564 YY= 0.3372 ZZ= -1.8936
XY= -1.2944 XZ= 0.0000 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= 0.9024 YYY= 0.0703 ZZZ= 0.0000 XYY= 1.4388
XXY= -0.0007 XXZ= 0.0000 XZZ= 0.9260 YZZ= 2.8905
YYZ= 0.0000 XYZ= 0.0000
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -34.6939 YYYY= -136.5945 ZZZZ= -37.0634 XXXY= -0.8568
XXXZ= 0.0000 YYYX= 0.5946 YYYZ= 0.0000 ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -27.8233 XXZZ= -12.8097 YYZZ= -29.3734
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 1.6290
N-N= 5.604592445669D+01 E-N=-1.152273399662D+03 KE= 4.376628294047D+02
Symmetry A' KE= 3.970386205208D+02
Symmetry A" KE= 4.062420888389D+01
Orbital energies and kinetic energies (alpha):
1 2
1 O -91.952033 121.178943
2 O -11.258646 16.024856
3 O -8.953414 18.707421
4 O -6.634926 17.566564
5 O -6.634111 17.588367
6 O -6.633368 17.627247
7 O -1.033154 1.630837
8 O -0.866096 1.734479
9 O -0.606325 1.076202
10 O -0.591268 0.983292
11 O -0.526846 1.337325
12 O -0.458868 1.674316
13 O -0.357530 1.701566
14 V 0.086792 0.344109
15 V 0.109751 0.412157
16 V 0.136935 0.264886
17 V 0.137022 0.242656
18 V 0.170074 0.618065
19 V 0.200074 0.318978
20 V 0.213305 0.387467
21 V 0.220137 0.318618
22 V 0.240738 0.484447
23 V 0.276341 0.628970
24 V 0.303428 1.265583
25 V 0.353860 0.979927
26 V 0.376118 0.988672
27 V 0.394632 0.758445
28 V 0.404469 0.892136
29 V 0.416044 0.900000
30 V 0.430091 0.988301
31 V 0.431275 0.891397
32 V 0.456224 0.793197
33 V 0.507737 0.765054
34 V 0.574797 0.818520
35 V 0.595610 0.829795
36 V 0.603998 0.954065
37 V 0.628848 0.706066
38 V 0.638817 0.979541
39 V 0.661109 0.854634
40 V 0.683169 0.932225
41 V 0.703178 1.035216
42 V 0.735709 0.890757
43 V 0.740149 0.955071
44 V 0.760856 1.550063
45 V 0.771541 0.961566
46 V 0.805415 1.253393
47 V 0.888546 1.249749
48 V 0.889958 1.189816
49 V 0.914057 1.097408
50 V 0.950942 1.422482
51 V 0.952710 1.141469
52 V 0.984426 1.288331
53 V 1.014078 1.469428
54 V 1.024650 1.443035
55 V 1.030021 1.655022
56 V 1.056005 1.581884
57 V 1.060397 1.758968
58 V 1.080584 1.648085
59 V 1.108059 1.606685
60 V 1.149755 1.806041
61 V 1.155013 1.344323
62 V 1.181250 2.008832
63 V 1.227272 2.018674
64 V 1.241217 1.890700
65 V 1.245226 2.111749
66 V 1.309979 2.130454
67 V 1.332352 2.380705
68 V 1.340208 2.190174
69 V 1.365568 2.016910
70 V 1.375888 1.870243
71 V 1.421430 2.160933
72 V 1.461900 1.648312
73 V 1.516980 1.878865
74 V 1.521690 1.885087
75 V 1.565799 2.001018
76 V 1.573226 2.072162
77 V 1.593092 2.234055
78 V 1.631410 1.951333
79 V 1.648547 1.872124
80 V 1.689018 2.014377
81 V 1.698714 1.926202
82 V 1.761128 2.004807
83 V 1.762428 1.977784
84 V 1.818868 2.175786
85 V 1.847984 2.070745
86 V 1.876936 2.088669
87 V 1.884536 2.321693
88 V 1.904995 2.225676
89 V 1.925050 2.366548
90 V 1.935336 2.101016
91 V 1.983987 2.300257
92 V 1.987130 2.345934
93 V 2.014107 2.416615
94 V 2.111448 2.716297
95 V 2.112272 2.371054
96 V 2.116233 2.786710
97 V 2.143803 2.778828
98 V 2.147712 2.619763
99 V 2.213807 2.686741
100 V 2.238793 2.771675
101 V 2.262034 2.428902
102 V 2.282559 2.699311
103 V 2.313959 2.701186
104 V 2.337766 2.758920
105 V 2.361472 2.698571
106 V 2.370798 2.812181
107 V 2.400981 2.943073
108 V 2.408719 2.639916
109 V 2.470942 3.010772
110 V 2.474626 3.135098
111 V 2.496755 2.910429
112 V 2.523054 2.972436
113 V 2.533006 2.914475
114 V 2.535342 2.924368
115 V 2.571634 3.057215
116 V 2.597229 2.891619
117 V 2.634415 3.314115
118 V 2.678846 3.197972
119 V 2.748635 3.432135
120 V 2.766188 3.580261
121 V 2.778129 3.519233
122 V 2.818112 3.732957
123 V 2.830535 3.375151
124 V 2.847695 3.565309
125 V 2.856889 3.487431
126 V 2.884570 4.133115
127 V 2.949325 3.174684
128 V 2.968382 3.768687
129 V 2.986379 3.689847
130 V 3.046722 3.536776
131 V 3.078345 3.790731
132 V 3.143616 3.756563
133 V 3.216748 3.736547
134 V 3.268456 3.829356
135 V 3.293812 3.905901
136 V 3.350560 4.349717
137 V 3.399305 4.226246
138 V 3.504689 4.387612
139 V 3.550450 4.895374
140 V 3.593980 4.749559
141 V 3.697838 5.776275
142 V 3.736827 4.939607
143 V 3.744672 4.596388
144 V 3.766101 5.546813
145 V 3.766710 4.577809
146 V 3.800250 4.959110
147 V 3.834722 4.992653
148 V 3.853922 4.837063
149 V 3.872585 4.315840
150 V 3.949257 5.045056
151 V 3.967891 4.852633
152 V 3.972949 4.945289
153 V 3.984542 6.023529
154 V 4.071637 4.607470
155 V 4.118956 5.281048
156 V 4.138343 4.398086
157 V 4.145783 4.779169
158 V 4.170648 5.236567
159 V 4.172745 4.557932
160 V 4.175085 4.819648
161 V 4.259812 4.870878
162 V 4.321817 4.999687
163 V 4.345945 6.153294
164 V 4.372575 4.859242
165 V 4.424526 4.955940
166 V 4.471471 5.087387
167 V 4.495712 4.906169
168 V 4.518193 5.084106
169 V 4.616771 5.245714
170 V 4.654567 5.227768
171 V 4.667771 5.444087
172 V 4.712778 5.264206
173 V 4.713040 5.370507
174 V 4.746712 5.291135
175 V 4.756487 5.229977
176 V 4.785299 5.170230
177 V 4.799862 5.350828
178 V 4.806724 5.268585
179 V 4.855739 5.146395
180 V 4.883726 5.369842
181 V 4.901247 5.342764
182 V 4.949397 5.299201
183 V 4.971756 5.723477
184 V 4.998133 5.347213
185 V 5.036678 5.638284
186 V 5.079733 5.975906
187 V 5.103257 5.432365
188 V 5.114359 5.926082
189 V 5.137741 6.164599
190 V 5.175454 5.639964
191 V 5.186846 6.437473
192 V 5.217134 5.781396
193 V 5.222781 5.990036
194 V 5.266699 6.205434
195 V 5.286683 5.819036
196 V 5.291401 6.307089
197 V 5.350434 6.253723
198 V 5.360048 6.437299
199 V 5.431525 6.044912
200 V 5.448494 6.531980
201 V 5.462372 6.331386
202 V 5.491952 6.510565
203 V 5.524063 6.121622
204 V 5.524261 7.108968
205 V 5.562251 6.271230
206 V 5.571061 6.366578
207 V 5.619366 6.355710
208 V 5.646666 6.780283
209 V 5.696803 6.549917
210 V 5.727642 6.991511
211 V 5.742892 6.284968
212 V 5.757989 7.667675
213 V 5.779725 6.140047
214 V 5.828343 6.434261
215 V 5.835473 6.784609
216 V 5.859715 7.063027
217 V 5.908102 6.779844
218 V 5.955375 6.938175
219 V 5.985658 6.948487
220 V 6.054140 6.715864
221 V 6.061279 6.906126
222 V 6.090666 6.912050
223 V 6.101988 6.861579
224 V 6.139236 6.957138
225 V 6.141800 7.206123
226 V 6.185976 7.279945
227 V 6.202319 6.926161
228 V 6.221714 9.265831
229 V 6.295780 7.628383
230 V 6.377676 7.140406
231 V 6.381508 7.478702
232 V 6.422901 7.253516
233 V 6.423429 7.595401
234 V 6.493093 7.104047
235 V 6.577808 7.432456
236 V 6.589418 8.902789
237 V 6.635417 7.336044
238 V 6.755937 7.565425
239 V 6.836325 7.749228
240 V 6.854573 7.465632
241 V 6.887378 7.823823
242 V 6.995152 7.643753
243 V 7.064310 7.727790
244 V 7.099258 10.361424
245 V 7.159802 8.240722
246 V 7.193078 7.934348
247 V 7.206014 7.977688
248 V 7.468167 8.347562
249 V 7.479827 8.309878
250 V 7.591875 8.288840
251 V 7.632796 8.635466
252 V 7.647846 8.682506
253 V 7.651121 8.308407
254 V 7.663159 8.676130
255 V 7.682128 9.096815
256 V 7.825508 9.064369
257 V 8.150215 9.361626
258 V 8.174212 8.921400
259 V 8.182224 9.066241
260 V 9.015361 11.965824
261 V 9.106947 9.758121
262 V 9.109684 13.791500
263 V 9.236893 10.320110
264 V 9.300385 12.426269
265 V 9.413177 11.636270
266 V 9.527298 10.165910
267 V 9.545588 12.389896
268 V 9.599821 12.429947
269 V 9.608342 13.889202
270 V 9.693553 12.755949
271 V 9.751574 11.363945
272 V 9.861395 11.176777
273 V 9.887021 12.473731
274 V 9.990342 11.940592
275 V 10.033425 11.689118
276 V 10.060722 13.441405
277 V 10.184938 13.623301
278 V 10.352474 11.519345
279 V 10.384171 11.763849
280 V 10.415056 12.501315
281 V 10.464298 11.471814
282 V 10.495575 11.575496
283 V 10.518805 11.717125
284 V 10.773053 12.320537
285 V 10.791573 12.378605
286 V 10.930545 12.619363
287 V 11.069254 12.729365
288 V 11.122770 12.887793
289 V 11.175315 13.114182
290 V 11.493304 14.029526
291 V 11.499847 14.088948
292 V 11.545630 13.693827
293 V 11.573044 12.907392
294 V 11.603718 12.868921
295 V 11.803980 12.970124
296 V 11.879757 15.032831
297 V 12.569114 14.531976
298 V 12.576322 14.452191
299 V 12.614058 13.057364
300 V 12.629265 13.105973
301 V 12.652853 13.039739
302 V 12.678133 13.011729
303 V 12.679889 13.030586
304 V 12.728777 13.393219
305 V 12.735457 13.317019
306 V 12.748268 13.258407
307 V 12.754451 13.116839
308 V 12.763336 13.170008
309 V 12.777785 13.221920
310 V 12.801325 13.224865
311 V 12.818064 13.491502
312 V 12.898391 13.520845
313 V 12.912409 13.483692
314 V 12.934277 13.504109
315 V 12.936526 13.369168
316 V 12.954935 13.694810
317 V 12.967366 13.393899
318 V 12.993483 13.616281
319 V 13.001695 13.619536
320 V 13.057570 13.511235
321 V 13.098121 14.393055
322 V 13.121010 14.839695
323 V 13.144600 14.282393
324 V 13.199061 15.550922
325 V 13.310419 14.159062
326 V 13.355414 13.930722
327 V 13.366832 14.104736
328 V 13.421699 14.122307
329 V 13.434729 14.042153
330 V 13.453019 14.114238
331 V 13.559631 14.038354
332 V 13.560941 14.053042
333 V 13.594401 14.138780
334 V 13.674600 14.197322
335 V 13.740518 14.219512
336 V 13.770276 14.429320
337 V 13.870911 15.144818
338 V 13.915420 14.536764
339 V 13.927927 14.504455
340 V 13.943269 14.539313
341 V 13.999546 14.619908
342 V 14.057465 14.656214
343 V 14.057776 14.710331
344 V 14.094499 14.735743
345 V 14.117590 14.767633
346 V 14.118611 14.811176
347 V 14.152746 15.533096
348 V 14.209257 14.868028
349 V 14.243951 15.815757
350 V 14.299892 14.990103
351 V 14.309811 15.067436
352 V 14.330614 14.921393
353 V 14.349390 15.083316
354 V 14.406569 15.654842
355 V 14.416797 15.604583
356 V 14.460112 15.221201
357 V 14.504462 15.813727
358 V 14.574433 15.445107
359 V 14.584688 15.587880
360 V 14.725978 15.445356
361 V 14.761213 15.498208
362 V 14.852672 15.525948
363 V 14.878203 15.823181
364 V 14.879855 15.550503
365 V 14.911572 15.786850
366 V 15.050201 15.726960
367 V 15.145119 15.990607
368 V 15.282111 16.127064
369 V 15.467668 16.404207
370 V 15.472661 16.409791
371 V 15.668030 16.531604
372 V 15.808669 16.746183
373 V 15.847334 16.721835
374 V 15.868623 17.563225
375 V 16.046036 16.725676
376 V 16.048998 16.723667
377 V 16.360612 16.970487
378 V 16.501537 18.006203
379 V 16.878951 18.744206
380 V 16.883133 18.709014
381 V 17.271361 18.732218
382 V 17.449832 18.412834
383 V 17.476401 18.818959
384 V 17.553152 18.599127
385 V 17.602229 18.683596
386 V 17.800188 18.866463
387 V 17.935478 19.064326
388 V 17.972437 19.091660
389 V 18.230257 19.653456
390 V 18.317131 19.721978
391 V 18.357439 19.729237
392 V 18.429724 19.763896
393 V 18.494080 19.862358
394 V 18.617236 19.708185
395 V 18.774669 20.525802
396 V 18.913179 21.252763
397 V 18.954091 21.243253
398 V 19.085457 20.634015
399 V 20.775191 23.212295
400 V 20.841042 23.095174
401 V 20.875969 23.140068
402 V 25.022953 69.261785
403 V 26.888049 71.546957
404 V 27.835605 72.928365
405 V 42.198519 81.305149
406 V 69.421995 116.358263
Total kinetic energy from orbitals= 4.376628294047D+02
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 S(33) 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
--------------------------------------------------------
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
--------------------------------------------------------
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
--------------------------------------------------------
---------------------------------------------------------------------------------
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 S(33) 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
---------------------------------------------------------------------------------
No NMR shielding tensors so no spin-rotation constants.
Leave Link 601 at Tue Apr 2 22:30:42 2019, MaxMem= 13421772800 cpu: 44.7
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
1\1\GINC-COMPUTE-3-5\SP\ROCCSD(T)-FC\CC-pV5Z\C1H4S1\LOOS\02-Apr-2019\0
\\#p ROCCSD(T) cc-pV5Z pop=full gfprint\\G2\\0,1\C\S,1,1.82939003\H,2,
1.34584251,1,97.1035912\H,1,1.09139903,2,106.02325623,3,180.,0\X,1,1.,
2,129.48465195,3,0.,0\H,1,1.09069821,5,55.21415843,2,90.,0\H,1,1.09069
821,5,55.21415843,2,-90.,0\\Version=ES64L-G09RevD.01\State=1-A'\HF=-43
7.7659453\MP2=-438.166832\MP3=-438.192922\PUHF=-437.7659453\PMP2-0=-43
8.166832\MP4SDQ=-438.1932802\CCSD=-438.19293\CCSD(T)=-438.2114296\RMSD
=1.862e-09\PG=CS [SG(C1H2S1),X(H2)]\\@
I DO NOT DEFINE TIME, SPACE, PLACE, AND MOTION, AS BEING WELL KNOWN TO ALL.
-- NEWTON (1642-1726), PRINCIPIA
Job cpu time: 4 days 14 hours 12 minutes 17.1 seconds.
File lengths (MBytes): RWF= 15123 Int= 0 D2E= 0 Chk= 14 Scr= 1
Normal termination of Gaussian 09 at Tue Apr 2 22:30:43 2019.
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