45201 lines
3.1 MiB
45201 lines
3.1 MiB
Entering Gaussian System, Link 0=g09
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Input=H2O2.inp
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Output=H2O2.out
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Initial command:
|
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/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42440/Gau-131729.inp" -scrdir="/mnt/beegfs/tmpdir/42440/"
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Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 131730.
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|
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Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
|
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Gaussian, Inc. All Rights Reserved.
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|
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This is part of the Gaussian(R) 09 program. It is based on
|
|
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
|
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the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
|
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the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
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the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
|
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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,
|
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Carnegie Mellon University). Gaussian is a federally registered
|
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trademark of Gaussian, Inc.
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|
|
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This software contains proprietary and confidential information,
|
|
including trade secrets, belonging to Gaussian, Inc.
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|
|
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This software is provided under written license and may be
|
|
used, copied, transmitted, or stored only in accord with that
|
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written license.
|
|
|
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The following legend is applicable only to US Government
|
|
contracts under FAR:
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|
|
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RESTRICTED RIGHTS LEGEND
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|
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Use, reproduction and disclosure by the US Government is
|
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subject to restrictions as set forth in subparagraphs (a)
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and (c) of the Commercial Computer Software - Restricted
|
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Rights clause in FAR 52.227-19.
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Gaussian, Inc.
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340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
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|
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---------------------------------------------------------------
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Warning -- This program may not be used in any manner that
|
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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
|
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computational chemistry and represents and warrants to the
|
|
licensee that it is not a competitor of Gaussian, Inc. and that
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it will not use this program in any manner prohibited above.
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---------------------------------------------------------------
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Cite this work as:
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Gaussian 09, Revision D.01,
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M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
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M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
|
|
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
|
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A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
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M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
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|
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
|
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J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
|
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K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
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K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
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M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
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V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
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O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
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R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
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P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
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O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
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and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
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******************************************
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Gaussian 09: ES64L-G09RevD.01 24-Apr-2013
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3-Apr-2019
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******************************************
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%nproc=24
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Will use up to 24 processors via shared memory.
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%mem=100GB
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-------------------------------------
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#p ROCCSD(T) cc-pV5Z pop=full gfprint
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-------------------------------------
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1/38=1/1;
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2/12=2,17=6,18=5,40=1/2;
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3/5=16,6=3,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
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4//1;
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5/5=2,38=5/2;
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8/5=-1,6=4,9=120000,10=1/1,4;
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9/5=7,14=2/13;
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6/7=3/1;
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99/5=1,9=1/99;
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Leave Link 1 at Wed Apr 3 13:09:01 2019, MaxMem= 13421772800 cpu: 1.4
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(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
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--
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G2
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--
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Symbolic Z-matrix:
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Charge = 0 Multiplicity = 1
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O
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O 1 AA
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H 1 AH4 2 H4AA
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H 2 AH4 1 H4AA 3 H4AAH8 0
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Variables:
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AA 1.44583
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AH4 0.96725
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H4AA 100.44937
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H4AAH8 112.3368
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NAtoms= 4 NQM= 4 NQMF= 0 NMMI= 0 NMMIF= 0
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NMic= 0 NMicF= 0.
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Isotopes and Nuclear Properties:
|
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(Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
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in nuclear magnetons)
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|
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Atom 1 2 3 4
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IAtWgt= 16 16 1 1
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AtmWgt= 15.9949146 15.9949146 1.0078250 1.0078250
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NucSpn= 0 0 1 1
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AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000
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NQMom= 0.0000000 0.0000000 0.0000000 0.0000000
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NMagM= 0.0000000 0.0000000 2.7928460 2.7928460
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AtZNuc= 8.0000000 8.0000000 1.0000000 1.0000000
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Leave Link 101 at Wed Apr 3 13:09:01 2019, MaxMem= 13421772800 cpu: 1.2
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(Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe)
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Input orientation:
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---------------------------------------------------------------------
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Center Atomic Atomic Coordinates (Angstroms)
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Number Number Type X Y Z
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---------------------------------------------------------------------
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1 8 0 0.000000 0.000000 0.000000
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2 8 0 0.000000 0.000000 1.445828
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3 1 0 0.951208 0.000000 -0.175427
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4 1 0 -0.361507 0.879834 1.621254
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---------------------------------------------------------------------
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Distance matrix (angstroms):
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1 2 3 4
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1 O 0.000000
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2 O 1.445828 0.000000
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3 H 0.967249 1.879697 0.000000
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4 H 1.879697 0.967249 2.392779 0.000000
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Stoichiometry H2O2
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Framework group C2[X(H2O2)]
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Deg. of freedom 4
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Full point group C2 NOp 2
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Largest Abelian subgroup C2 NOp 2
|
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Largest concise Abelian subgroup C2 NOp 2
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Standard orientation:
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---------------------------------------------------------------------
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Center Atomic Atomic Coordinates (Angstroms)
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Number Number Type X Y Z
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---------------------------------------------------------------------
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1 8 0 0.000000 0.722914 -0.058843
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2 8 0 0.000000 -0.722914 -0.058843
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3 1 0 0.790147 0.898341 0.470745
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4 1 0 -0.790147 -0.898341 0.470745
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---------------------------------------------------------------------
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Rotational constants (GHZ): 302.3931524 26.6052275 25.7805318
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Leave Link 202 at Wed Apr 3 13:09:01 2019, MaxMem= 13421772800 cpu: 0.2
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(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
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Standard basis: CC-pV5Z (5D, 7F)
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Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
|
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Ernie: 8 primitive shells out of 120 were deleted.
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AO basis set (Overlap normalization):
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Atom O1 Shell 1 S 9 bf 1 - 1 0.000000000000 1.366109326451 -0.111197460254
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0.1642000000D+06 0.4491125664D-04
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0.2459000000D+05 0.3616241695D-03
|
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0.5592000000D+04 0.1883394278D-02
|
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0.1582000000D+04 0.7883170888D-02
|
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0.5161000000D+03 0.2799225967D-01
|
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0.1872000000D+03 0.8371422459D-01
|
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0.7393000000D+02 0.2063506539D+00
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0.3122000000D+02 0.3768974880D+00
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0.1381000000D+02 0.4149014015D+00
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Atom O1 Shell 2 S 7 bf 2 - 2 0.000000000000 1.366109326451 -0.111197460254
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0.1582000000D+04 -0.4284533954D-04
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0.5161000000D+03 -0.2714396795D-03
|
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0.1872000000D+03 -0.2950260819D-02
|
|
0.7393000000D+02 -0.1633497889D-01
|
|
0.3122000000D+02 -0.8525269497D-01
|
|
0.1381000000D+02 -0.2939748971D+00
|
|
0.6256000000D+01 -0.6542666235D+00
|
|
Atom O1 Shell 3 S 1 bf 3 - 3 0.000000000000 1.366109326451 -0.111197460254
|
|
0.2776000000D+01 0.1000000000D+01
|
|
Atom O1 Shell 4 S 1 bf 4 - 4 0.000000000000 1.366109326451 -0.111197460254
|
|
0.1138000000D+01 0.1000000000D+01
|
|
Atom O1 Shell 5 S 1 bf 5 - 5 0.000000000000 1.366109326451 -0.111197460254
|
|
0.4600000000D+00 0.1000000000D+01
|
|
Atom O1 Shell 6 S 1 bf 6 - 6 0.000000000000 1.366109326451 -0.111197460254
|
|
0.1829000000D+00 0.1000000000D+01
|
|
Atom O1 Shell 7 P 4 bf 7 - 9 0.000000000000 1.366109326451 -0.111197460254
|
|
0.1955000000D+03 0.6274451512D-02
|
|
0.4616000000D+02 0.5049634833D-01
|
|
0.1458000000D+02 0.2389349411D+00
|
|
0.5296000000D+01 0.7889610158D+00
|
|
Atom O1 Shell 8 P 1 bf 10 - 12 0.000000000000 1.366109326451 -0.111197460254
|
|
0.2094000000D+01 0.1000000000D+01
|
|
Atom O1 Shell 9 P 1 bf 13 - 15 0.000000000000 1.366109326451 -0.111197460254
|
|
0.8471000000D+00 0.1000000000D+01
|
|
Atom O1 Shell 10 P 1 bf 16 - 18 0.000000000000 1.366109326451 -0.111197460254
|
|
0.3368000000D+00 0.1000000000D+01
|
|
Atom O1 Shell 11 P 1 bf 19 - 21 0.000000000000 1.366109326451 -0.111197460254
|
|
0.1285000000D+00 0.1000000000D+01
|
|
Atom O1 Shell 12 D 1 bf 22 - 26 0.000000000000 1.366109326451 -0.111197460254
|
|
0.5879000000D+01 0.1000000000D+01
|
|
Atom O1 Shell 13 D 1 bf 27 - 31 0.000000000000 1.366109326451 -0.111197460254
|
|
0.2307000000D+01 0.1000000000D+01
|
|
Atom O1 Shell 14 D 1 bf 32 - 36 0.000000000000 1.366109326451 -0.111197460254
|
|
0.9050000000D+00 0.1000000000D+01
|
|
Atom O1 Shell 15 D 1 bf 37 - 41 0.000000000000 1.366109326451 -0.111197460254
|
|
0.3550000000D+00 0.1000000000D+01
|
|
Atom O1 Shell 16 F 1 bf 42 - 48 0.000000000000 1.366109326451 -0.111197460254
|
|
0.4016000000D+01 0.1000000000D+01
|
|
Atom O1 Shell 17 F 1 bf 49 - 55 0.000000000000 1.366109326451 -0.111197460254
|
|
0.1554000000D+01 0.1000000000D+01
|
|
Atom O1 Shell 18 F 1 bf 56 - 62 0.000000000000 1.366109326451 -0.111197460254
|
|
0.6010000000D+00 0.1000000000D+01
|
|
Atom O1 Shell 19 G 1 bf 63 - 71 0.000000000000 1.366109326451 -0.111197460254
|
|
0.3350000000D+01 0.1000000000D+01
|
|
Atom O1 Shell 20 G 1 bf 72 - 80 0.000000000000 1.366109326451 -0.111197460254
|
|
0.1189000000D+01 0.1000000000D+01
|
|
Atom O1 Shell 21 H 1 bf 81 - 91 0.000000000000 1.366109326451 -0.111197460254
|
|
0.2319000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 22 S 9 bf 92 - 92 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.1642000000D+06 0.4491125664D-04
|
|
0.2459000000D+05 0.3616241695D-03
|
|
0.5592000000D+04 0.1883394278D-02
|
|
0.1582000000D+04 0.7883170888D-02
|
|
0.5161000000D+03 0.2799225967D-01
|
|
0.1872000000D+03 0.8371422459D-01
|
|
0.7393000000D+02 0.2063506539D+00
|
|
0.3122000000D+02 0.3768974880D+00
|
|
0.1381000000D+02 0.4149014015D+00
|
|
Atom O2 Shell 23 S 7 bf 93 - 93 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.1582000000D+04 -0.4284533954D-04
|
|
0.5161000000D+03 -0.2714396795D-03
|
|
0.1872000000D+03 -0.2950260819D-02
|
|
0.7393000000D+02 -0.1633497889D-01
|
|
0.3122000000D+02 -0.8525269497D-01
|
|
0.1381000000D+02 -0.2939748971D+00
|
|
0.6256000000D+01 -0.6542666235D+00
|
|
Atom O2 Shell 24 S 1 bf 94 - 94 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.2776000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 25 S 1 bf 95 - 95 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.1138000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 26 S 1 bf 96 - 96 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.4600000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 27 S 1 bf 97 - 97 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.1829000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 28 P 4 bf 98 - 100 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.1955000000D+03 0.6274451512D-02
|
|
0.4616000000D+02 0.5049634833D-01
|
|
0.1458000000D+02 0.2389349411D+00
|
|
0.5296000000D+01 0.7889610158D+00
|
|
Atom O2 Shell 29 P 1 bf 101 - 103 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.2094000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 30 P 1 bf 104 - 106 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.8471000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 31 P 1 bf 107 - 109 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.3368000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 32 P 1 bf 110 - 112 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.1285000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 33 D 1 bf 113 - 117 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.5879000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 34 D 1 bf 118 - 122 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.2307000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 35 D 1 bf 123 - 127 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.9050000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 36 D 1 bf 128 - 132 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.3550000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 37 F 1 bf 133 - 139 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.4016000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 38 F 1 bf 140 - 146 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.1554000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 39 F 1 bf 147 - 153 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.6010000000D+00 0.1000000000D+01
|
|
Atom O2 Shell 40 G 1 bf 154 - 162 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.3350000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 41 G 1 bf 163 - 171 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.1189000000D+01 0.1000000000D+01
|
|
Atom O2 Shell 42 H 1 bf 172 - 182 0.000000000000 -1.366109326451 -0.111197460254
|
|
0.2319000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 43 S 4 bf 183 - 183 1.493160871794 1.697617594760 0.889579682035
|
|
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 44 S 1 bf 184 - 184 1.493160871794 1.697617594760 0.889579682035
|
|
0.1283000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 45 S 1 bf 185 - 185 1.493160871794 1.697617594760 0.889579682035
|
|
0.4655000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 46 S 1 bf 186 - 186 1.493160871794 1.697617594760 0.889579682035
|
|
0.1811000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 47 S 1 bf 187 - 187 1.493160871794 1.697617594760 0.889579682035
|
|
0.7279000000D-01 0.1000000000D+01
|
|
Atom H3 Shell 48 P 1 bf 188 - 190 1.493160871794 1.697617594760 0.889579682035
|
|
0.4516000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 49 P 1 bf 191 - 193 1.493160871794 1.697617594760 0.889579682035
|
|
0.1712000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 50 P 1 bf 194 - 196 1.493160871794 1.697617594760 0.889579682035
|
|
0.6490000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 51 P 1 bf 197 - 199 1.493160871794 1.697617594760 0.889579682035
|
|
0.2460000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 52 D 1 bf 200 - 204 1.493160871794 1.697617594760 0.889579682035
|
|
0.2950000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 53 D 1 bf 205 - 209 1.493160871794 1.697617594760 0.889579682035
|
|
0.1206000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 54 D 1 bf 210 - 214 1.493160871794 1.697617594760 0.889579682035
|
|
0.4930000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 55 F 1 bf 215 - 221 1.493160871794 1.697617594760 0.889579682035
|
|
0.2506000000D+01 0.1000000000D+01
|
|
Atom H3 Shell 56 F 1 bf 222 - 228 1.493160871794 1.697617594760 0.889579682035
|
|
0.8750000000D+00 0.1000000000D+01
|
|
Atom H3 Shell 57 G 1 bf 229 - 237 1.493160871794 1.697617594760 0.889579682035
|
|
0.2358000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 58 S 4 bf 238 - 238 -1.493160871794 -1.697617594760 0.889579682035
|
|
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 59 S 1 bf 239 - 239 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.1283000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 60 S 1 bf 240 - 240 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.4655000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 61 S 1 bf 241 - 241 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.1811000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 62 S 1 bf 242 - 242 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.7279000000D-01 0.1000000000D+01
|
|
Atom H4 Shell 63 P 1 bf 243 - 245 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.4516000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 64 P 1 bf 246 - 248 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.1712000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 65 P 1 bf 249 - 251 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.6490000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 66 P 1 bf 252 - 254 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.2460000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 67 D 1 bf 255 - 259 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.2950000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 68 D 1 bf 260 - 264 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.1206000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 69 D 1 bf 265 - 269 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.4930000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 70 F 1 bf 270 - 276 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.2506000000D+01 0.1000000000D+01
|
|
Atom H4 Shell 71 F 1 bf 277 - 283 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.8750000000D+00 0.1000000000D+01
|
|
Atom H4 Shell 72 G 1 bf 284 - 292 -1.493160871794 -1.697617594760 0.889579682035
|
|
0.2358000000D+01 0.1000000000D+01
|
|
There are 196 symmetry adapted cartesian basis functions of A symmetry.
|
|
There are 196 symmetry adapted cartesian basis functions of B symmetry.
|
|
There are 146 symmetry adapted basis functions of A symmetry.
|
|
There are 146 symmetry adapted basis functions of B symmetry.
|
|
292 basis functions, 444 primitive gaussians, 392 cartesian basis functions
|
|
9 alpha electrons 9 beta electrons
|
|
nuclear repulsion energy 36.9032276141 Hartrees.
|
|
IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000
|
|
ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000
|
|
IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4
|
|
NAtoms= 4 NActive= 4 NUniq= 2 SFac= 4.00D+00 NAtFMM= 60 NAOKFM=F Big=F
|
|
Integral buffers will be 131072 words long.
|
|
Raffenetti 2 integral format.
|
|
Two-electron integral symmetry is turned on.
|
|
Leave Link 301 at Wed Apr 3 13:09:01 2019, MaxMem= 13421772800 cpu: 1.1
|
|
(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= 292 RedAO= T EigKep= 4.16D-05 NBF= 146 146
|
|
NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 146 146
|
|
Leave Link 302 at Wed Apr 3 13:09:01 2019, MaxMem= 13421772800 cpu: 8.8
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
|
|
DipDrv: MaxL=1.
|
|
Leave Link 303 at Wed Apr 3 13:09:01 2019, MaxMem= 13421772800 cpu: 1.2
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
|
|
ExpMin= 7.28D-02 ExpMax= 1.64D+05 ExpMxC= 5.16D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00
|
|
Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess.
|
|
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14
|
|
ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
|
|
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
|
|
NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T
|
|
wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0
|
|
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
Harris En= -150.952943721591
|
|
JPrj=0 DoOrth=F DoCkMO=F.
|
|
Initial guess orbital symmetries:
|
|
Occupied (A) (B) (A) (B) (A) (B) (A) (A) (B)
|
|
Virtual (B) (A) (B) (B) (A) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
|
|
(B) (B) (A) (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (B)
|
|
(B) (A) (A) (A) (B) (A) (B) (A) (A) (B) (B) (A)
|
|
(A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
|
|
(B) (A) (B) (A) (A) (B) (A) (B) (A) (B) (B) (A)
|
|
(B) (A) (B) (B) (A) (A) (B) (B) (A) (A) (A) (B)
|
|
(A) (B) (A) (B) (B) (A) (B) (B) (B) (A) (A) (B)
|
|
(A) (A) (B) (B) (A) (A) (A) (B) (B) (A) (A) (B)
|
|
(A) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
|
|
(B) (B) (A) (B) (A) (A) (B) (A) (A) (B) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (B)
|
|
(A) (A) (A) (B) (B) (B) (A) (B) (A) (B) (B) (A)
|
|
(A) (B) (A) (A) (B) (B) (A) (B) (A) (A) (A) (B)
|
|
(A) (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (B)
|
|
(B) (A) (B) (B) (A) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (B) (A) (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (A) (B) (A) (B) (A) (B) (B) (B) (A) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B)
|
|
The electronic state of the initial guess is 1-A.
|
|
Leave Link 401 at Wed Apr 3 13:09:02 2019, MaxMem= 13421772800 cpu: 14.9
|
|
(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=1373128051.
|
|
IVT= 492042 IEndB= 492042 NGot= 13421772800 MDV= 12506161081
|
|
LenX= 12506161081 LenY= 12506006976
|
|
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= 42778 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
|
|
Petite list used in FoFCou.
|
|
|
|
Cycle 1 Pass 1 IDiag 1:
|
|
E= -150.787534638591
|
|
DIIS: error= 2.46D-02 at cycle 1 NSaved= 1.
|
|
NSaved= 1 IEnMin= 1 EnMin= -150.787534638591 IErMin= 1 ErrMin= 2.46D-02
|
|
ErrMax= 2.46D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-01 BMatP= 2.73D-01
|
|
IDIUse=3 WtCom= 7.54D-01 WtEn= 2.46D-01
|
|
Coeff-Com: 0.100D+01
|
|
Coeff-En: 0.100D+01
|
|
Coeff: 0.100D+01
|
|
Gap= 0.546 Goal= None Shift= 0.000
|
|
GapD= 0.546 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
|
|
RMSDP=4.72D-04 MaxDP=1.38D-02 OVMax= 6.22D-02
|
|
|
|
Cycle 2 Pass 1 IDiag 1:
|
|
E= -150.842477170827 Delta-E= -0.054942532237 Rises=F Damp=F
|
|
DIIS: error= 9.88D-03 at cycle 2 NSaved= 2.
|
|
NSaved= 2 IEnMin= 2 EnMin= -150.842477170827 IErMin= 2 ErrMin= 9.88D-03
|
|
ErrMax= 9.88D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-02 BMatP= 2.73D-01
|
|
IDIUse=3 WtCom= 9.01D-01 WtEn= 9.88D-02
|
|
Coeff-Com: 0.860D-01 0.914D+00
|
|
Coeff-En: 0.000D+00 0.100D+01
|
|
Coeff: 0.775D-01 0.922D+00
|
|
Gap= 0.610 Goal= None Shift= 0.000
|
|
RMSDP=2.15D-04 MaxDP=1.20D-02 DE=-5.49D-02 OVMax= 2.76D-02
|
|
|
|
Cycle 3 Pass 1 IDiag 1:
|
|
E= -150.850181022134 Delta-E= -0.007703851307 Rises=F Damp=F
|
|
DIIS: error= 5.06D-03 at cycle 3 NSaved= 3.
|
|
NSaved= 3 IEnMin= 3 EnMin= -150.850181022134 IErMin= 3 ErrMin= 5.06D-03
|
|
ErrMax= 5.06D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-03 BMatP= 1.63D-02
|
|
IDIUse=3 WtCom= 9.49D-01 WtEn= 5.06D-02
|
|
Coeff-Com: -0.212D-01 0.261D+00 0.760D+00
|
|
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: -0.201D-01 0.248D+00 0.772D+00
|
|
Gap= 0.581 Goal= None Shift= 0.000
|
|
RMSDP=5.77D-05 MaxDP=2.53D-03 DE=-7.70D-03 OVMax= 9.18D-03
|
|
|
|
Cycle 4 Pass 1 IDiag 1:
|
|
E= -150.851693657644 Delta-E= -0.001512635510 Rises=F Damp=F
|
|
DIIS: error= 3.65D-04 at cycle 4 NSaved= 4.
|
|
NSaved= 4 IEnMin= 4 EnMin= -150.851693657644 IErMin= 4 ErrMin= 3.65D-04
|
|
ErrMax= 3.65D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-05 BMatP= 2.50D-03
|
|
IDIUse=3 WtCom= 9.96D-01 WtEn= 3.65D-03
|
|
Coeff-Com: -0.179D-02-0.776D-02 0.307D-01 0.979D+00
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: -0.178D-02-0.773D-02 0.305D-01 0.979D+00
|
|
Gap= 0.583 Goal= None Shift= 0.000
|
|
RMSDP=1.07D-05 MaxDP=4.78D-04 DE=-1.51D-03 OVMax= 1.19D-03
|
|
|
|
Cycle 5 Pass 1 IDiag 1:
|
|
E= -150.851715709195 Delta-E= -0.000022051551 Rises=F Damp=F
|
|
DIIS: error= 1.36D-04 at cycle 5 NSaved= 5.
|
|
NSaved= 5 IEnMin= 5 EnMin= -150.851715709195 IErMin= 5 ErrMin= 1.36D-04
|
|
ErrMax= 1.36D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-06 BMatP= 1.85D-05
|
|
IDIUse=3 WtCom= 9.99D-01 WtEn= 1.36D-03
|
|
Coeff-Com: 0.167D-02-0.171D-01-0.583D-01-0.165D+00 0.124D+01
|
|
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
|
|
Coeff: 0.167D-02-0.171D-01-0.583D-01-0.165D+00 0.124D+01
|
|
Gap= 0.583 Goal= None Shift= 0.000
|
|
RMSDP=5.32D-06 MaxDP=2.14D-04 DE=-2.21D-05 OVMax= 7.73D-04
|
|
|
|
Cycle 6 Pass 1 IDiag 1:
|
|
E= -150.851719341620 Delta-E= -0.000003632425 Rises=F Damp=F
|
|
DIIS: error= 2.38D-05 at cycle 6 NSaved= 6.
|
|
NSaved= 6 IEnMin= 6 EnMin= -150.851719341620 IErMin= 6 ErrMin= 2.38D-05
|
|
ErrMax= 2.38D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 7.33D-08 BMatP= 1.56D-06
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.375D-03 0.480D-02 0.162D-01 0.164D-01-0.401D+00 0.136D+01
|
|
Coeff: -0.375D-03 0.480D-02 0.162D-01 0.164D-01-0.401D+00 0.136D+01
|
|
Gap= 0.583 Goal= None Shift= 0.000
|
|
RMSDP=1.35D-06 MaxDP=4.13D-05 DE=-3.63D-06 OVMax= 2.29D-04
|
|
|
|
Cycle 7 Pass 1 IDiag 1:
|
|
E= -150.851719559277 Delta-E= -0.000000217657 Rises=F Damp=F
|
|
DIIS: error= 4.87D-06 at cycle 7 NSaved= 7.
|
|
NSaved= 7 IEnMin= 7 EnMin= -150.851719559277 IErMin= 7 ErrMin= 4.87D-06
|
|
ErrMax= 4.87D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-09 BMatP= 7.33D-08
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.394D-04-0.628D-03-0.243D-02 0.511D-03 0.649D-01-0.371D+00
|
|
Coeff-Com: 0.131D+01
|
|
Coeff: 0.394D-04-0.628D-03-0.243D-02 0.511D-03 0.649D-01-0.371D+00
|
|
Coeff: 0.131D+01
|
|
Gap= 0.583 Goal= None Shift= 0.000
|
|
RMSDP=2.70D-07 MaxDP=5.41D-06 DE=-2.18D-07 OVMax= 5.96D-05
|
|
|
|
Cycle 8 Pass 1 IDiag 1:
|
|
E= -150.851719569146 Delta-E= -0.000000009869 Rises=F Damp=F
|
|
DIIS: error= 1.96D-06 at cycle 8 NSaved= 8.
|
|
NSaved= 8 IEnMin= 8 EnMin= -150.851719569146 IErMin= 8 ErrMin= 1.96D-06
|
|
ErrMax= 1.96D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.82D-10 BMatP= 2.88D-09
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.185D-05 0.690D-04 0.385D-03-0.315D-02-0.667D-02 0.129D+00
|
|
Coeff-Com: -0.794D+00 0.167D+01
|
|
Coeff: 0.185D-05 0.690D-04 0.385D-03-0.315D-02-0.667D-02 0.129D+00
|
|
Coeff: -0.794D+00 0.167D+01
|
|
Gap= 0.583 Goal= None Shift= 0.000
|
|
RMSDP=1.05D-07 MaxDP=3.29D-06 DE=-9.87D-09 OVMax= 3.41D-05
|
|
|
|
Cycle 9 Pass 1 IDiag 1:
|
|
E= -150.851719570814 Delta-E= -0.000000001669 Rises=F Damp=F
|
|
DIIS: error= 8.11D-07 at cycle 9 NSaved= 9.
|
|
NSaved= 9 IEnMin= 9 EnMin= -150.851719570814 IErMin= 9 ErrMin= 8.11D-07
|
|
ErrMax= 8.11D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.74D-11 BMatP= 3.82D-10
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.618D-05 0.467D-04 0.113D-03 0.173D-02-0.614D-02-0.150D-01
|
|
Coeff-Com: 0.243D+00-0.839D+00 0.162D+01
|
|
Coeff: -0.618D-05 0.467D-04 0.113D-03 0.173D-02-0.614D-02-0.150D-01
|
|
Coeff: 0.243D+00-0.839D+00 0.162D+01
|
|
Gap= 0.583 Goal= None Shift= 0.000
|
|
RMSDP=4.68D-08 MaxDP=1.34D-06 DE=-1.67D-09 OVMax= 1.50D-05
|
|
|
|
Cycle 10 Pass 1 IDiag 1:
|
|
E= -150.851719571050 Delta-E= -0.000000000236 Rises=F Damp=F
|
|
DIIS: error= 2.37D-07 at cycle 10 NSaved= 10.
|
|
NSaved=10 IEnMin=10 EnMin= -150.851719571050 IErMin=10 ErrMin= 2.37D-07
|
|
ErrMax= 2.37D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.24D-12 BMatP= 4.74D-11
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: 0.180D-05-0.261D-04-0.816D-04 0.718D-04 0.207D-02-0.900D-02
|
|
Coeff-Com: 0.131D-01 0.588D-01-0.523D+00 0.146D+01
|
|
Coeff: 0.180D-05-0.261D-04-0.816D-04 0.718D-04 0.207D-02-0.900D-02
|
|
Coeff: 0.131D-01 0.588D-01-0.523D+00 0.146D+01
|
|
Gap= 0.583 Goal= None Shift= 0.000
|
|
RMSDP=1.88D-08 MaxDP=6.35D-07 DE=-2.36D-10 OVMax= 5.10D-06
|
|
|
|
Cycle 11 Pass 1 IDiag 1:
|
|
E= -150.851719571068 Delta-E= -0.000000000019 Rises=F Damp=F
|
|
DIIS: error= 3.64D-08 at cycle 11 NSaved= 11.
|
|
NSaved=11 IEnMin=11 EnMin= -150.851719571068 IErMin=11 ErrMin= 3.64D-08
|
|
ErrMax= 3.64D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 9.46D-14 BMatP= 4.24D-12
|
|
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
|
|
Coeff-Com: -0.617D-07 0.194D-05 0.992D-05-0.459D-04-0.240D-03 0.210D-02
|
|
Coeff-Com: -0.106D-01 0.231D-01 0.179D-01-0.256D+00 0.122D+01
|
|
Coeff: -0.617D-07 0.194D-05 0.992D-05-0.459D-04-0.240D-03 0.210D-02
|
|
Coeff: -0.106D-01 0.231D-01 0.179D-01-0.256D+00 0.122D+01
|
|
Gap= 0.583 Goal= None Shift= 0.000
|
|
RMSDP=2.34D-09 MaxDP=8.34D-08 DE=-1.86D-11 OVMax= 4.72D-07
|
|
|
|
SCF Done: E(ROHF) = -150.851719571 A.U. after 11 cycles
|
|
NFock= 11 Conv=0.23D-08 -V/T= 2.0013
|
|
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
|
|
<L.S>= 0.000000000000E+00
|
|
KE= 1.506496852596D+02 PE=-4.321763898045D+02 EE= 9.377175735978D+01
|
|
Annihilation of the first spin contaminant:
|
|
S**2 before annihilation 0.0000, after 0.0000
|
|
Leave Link 502 at Wed Apr 3 13:09:25 2019, MaxMem= 13421772800 cpu: 557.6
|
|
(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= 1.64D+05 ExpMxC= 5.16D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00
|
|
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV=-2 UseB2=F ITyADJ=14
|
|
ICtDFT= 12500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
|
|
Largest valence mixing into a core orbital is 1.22D-04
|
|
Largest core mixing into a valence orbital is 2.28D-05
|
|
Largest valence mixing into a core orbital is 1.22D-04
|
|
Largest core mixing into a valence orbital is 2.28D-05
|
|
Range of M.O.s used for correlation: 3 292
|
|
NBasis= 292 NAE= 9 NBE= 9 NFC= 2 NFV= 0
|
|
NROrb= 290 NOA= 7 NOB= 7 NVA= 283 NVB= 283
|
|
|
|
**** Warning!!: The largest alpha MO coefficient is 0.19089839D+02
|
|
|
|
|
|
**** Warning!!: The largest beta MO coefficient is 0.19089839D+02
|
|
|
|
Singles contribution to E2= -0.4085924859D-14
|
|
Leave Link 801 at Wed Apr 3 13:09:34 2019, MaxMem= 13421772800 cpu: 218.9
|
|
(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= 13419169412
|
|
LASXX= 41926291 LTotXX= 41926291 LenRXX= 84311386
|
|
LTotAB= 42385095 MaxLAS= 81926740 LenRXY= 0
|
|
NonZer= 126237677 LenScr= 189923328 LnRSAI= 81926740
|
|
LnScr1= 123273216 LExtra= 0 Total= 479434670
|
|
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= 13419169412
|
|
LASXX= 41926291 LTotXX= 41926291 LenRXX= 82293341
|
|
LTotAB= 40367050 MaxLAS= 81926740 LenRXY= 0
|
|
NonZer= 124219632 LenScr= 186777600 LnRSAI= 81926740
|
|
LnScr1= 123273216 LExtra= 0 Total= 474270897
|
|
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 = 0.1612747479D-01 E2= -0.6557745900D-01
|
|
alpha-beta T2 = 0.9518726797D-01 E2= -0.4211599106D+00
|
|
beta-beta T2 = 0.1612747479D-01 E2= -0.6557745900D-01
|
|
ANorm= 0.1061810820D+01
|
|
E2 = -0.5523148286D+00 EUMP2 = -0.15140403439964D+03
|
|
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
|
|
E(PUHF)= -0.15085171957D+03 E(PMP2)= -0.15140403440D+03
|
|
Leave Link 804 at Wed Apr 3 13:10:18 2019, MaxMem= 13421772800 cpu: 1048.1
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
|
|
CIDS: MDV= 13421772800.
|
|
Frozen-core window: NFC= 2 NFV= 0.
|
|
IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0
|
|
Using original routines for 1st iteration, S=T.
|
|
Using DD4UQ or CC4UQ for 2nd and later iterations.
|
|
Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=1372637915.
|
|
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= 42778 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)= 0.83655031D-02
|
|
Maximum subspace dimension= 5
|
|
Norm of the A-vectors is 1.1710235D-01 conv= 1.00D-05.
|
|
RLE energy= -0.5400947464
|
|
E3= 0.41310684D-02 EROMP3= -0.15139990333D+03
|
|
E4(SDQ)= -0.41510888D-02 ROMP4(SDQ)= -0.15140405442D+03
|
|
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
|
|
DE(Corr)= -0.53981826 E(Corr)= -151.39153783
|
|
NORM(A)= 0.10581228D+01
|
|
Iteration Nr. 2
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 4.8405091D-01 conv= 1.00D-05.
|
|
RLE energy= -0.5389501482
|
|
DE(Corr)= -0.53591379 E(CORR)= -151.38763336 Delta= 3.90D-03
|
|
NORM(A)= 0.10578713D+01
|
|
Iteration Nr. 3
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 3.6083972D-01 conv= 1.00D-05.
|
|
RLE energy= -0.5452535434
|
|
DE(Corr)= -0.53977635 E(CORR)= -151.39149592 Delta=-3.86D-03
|
|
NORM(A)= 0.10605294D+01
|
|
Iteration Nr. 4
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 2.4183055D-01 conv= 1.00D-05.
|
|
RLE energy= -0.5519367623
|
|
DE(Corr)= -0.54343068 E(CORR)= -151.39515026 Delta=-3.65D-03
|
|
NORM(A)= 0.10665433D+01
|
|
Iteration Nr. 5
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 4.7882670D-02 conv= 1.00D-05.
|
|
RLE energy= -0.5510892381
|
|
DE(Corr)= -0.55254783 E(CORR)= -151.40426740 Delta=-9.12D-03
|
|
NORM(A)= 0.10656821D+01
|
|
Iteration Nr. 6
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 7.9676890D-03 conv= 1.00D-05.
|
|
RLE energy= -0.5511950379
|
|
DE(Corr)= -0.55096454 E(CORR)= -151.40268411 Delta= 1.58D-03
|
|
NORM(A)= 0.10658664D+01
|
|
Iteration Nr. 7
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.6848076D-03 conv= 1.00D-05.
|
|
RLE energy= -0.5511861892
|
|
DE(Corr)= -0.55118971 E(CORR)= -151.40290929 Delta=-2.25D-04
|
|
NORM(A)= 0.10658767D+01
|
|
Iteration Nr. 8
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 7.9282188D-04 conv= 1.00D-05.
|
|
RLE energy= -0.5511923603
|
|
DE(Corr)= -0.55119380 E(CORR)= -151.40291337 Delta=-4.09D-06
|
|
NORM(A)= 0.10658769D+01
|
|
Iteration Nr. 9
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 3.6382154D-04 conv= 1.00D-05.
|
|
RLE energy= -0.5511899225
|
|
DE(Corr)= -0.55118816 E(CORR)= -151.40290773 Delta= 5.64D-06
|
|
NORM(A)= 0.10658772D+01
|
|
Iteration Nr. 10
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.5074338D-04 conv= 1.00D-05.
|
|
RLE energy= -0.5511898623
|
|
DE(Corr)= -0.55118973 E(CORR)= -151.40290930 Delta=-1.57D-06
|
|
NORM(A)= 0.10658776D+01
|
|
Iteration Nr. 11
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 9.2622272D-05 conv= 1.00D-05.
|
|
RLE energy= -0.5511899752
|
|
DE(Corr)= -0.55118960 E(CORR)= -151.40290917 Delta= 1.33D-07
|
|
NORM(A)= 0.10658781D+01
|
|
Iteration Nr. 12
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 4.8131414D-05 conv= 1.00D-05.
|
|
RLE energy= -0.5511901069
|
|
DE(Corr)= -0.55119005 E(CORR)= -151.40290962 Delta=-4.49D-07
|
|
NORM(A)= 0.10658783D+01
|
|
Iteration Nr. 13
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 2.1716840D-05 conv= 1.00D-05.
|
|
RLE energy= -0.5511901310
|
|
DE(Corr)= -0.55119009 E(CORR)= -151.40290966 Delta=-3.61D-08
|
|
NORM(A)= 0.10658784D+01
|
|
Iteration Nr. 14
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 1.0116480D-05 conv= 1.00D-05.
|
|
RLE energy= -0.5511901494
|
|
DE(Corr)= -0.55119014 E(CORR)= -151.40290971 Delta=-5.66D-08
|
|
NORM(A)= 0.10658785D+01
|
|
Iteration Nr. 15
|
|
**********************
|
|
DD1Dir will call FoFMem 1 times, MxPair= 140
|
|
NAB= 49 NAA= 21 NBB= 21.
|
|
Norm of the A-vectors is 4.0138222D-06 conv= 1.00D-05.
|
|
RLE energy= -0.5511901516
|
|
DE(Corr)= -0.55119015 E(CORR)= -151.40290972 Delta=-3.32D-09
|
|
NORM(A)= 0.10658785D+01
|
|
CI/CC converged in 15 iterations to DelEn=-3.32D-09 Conv= 1.00D-07 ErrA1= 4.01D-06 Conv= 1.00D-05
|
|
Largest amplitude= 3.38D-02
|
|
Time for triples= 123499.05 seconds.
|
|
T4(CCSD)= -0.22755939D-01
|
|
T5(CCSD)= 0.70925036D-03
|
|
CCSD(T)= -0.15142495641D+03
|
|
Discarding MO integrals.
|
|
Leave Link 913 at Wed Apr 3 14:54:59 2019, MaxMem= 13421772800 cpu: 146032.7
|
|
(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) (B) (A) (B) (A) (B) (A) (A) (B)
|
|
Virtual (A) (B) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (B) (A) (A) (B) (B) (A) (A) (A) (B)
|
|
(B) (B) (A) (A) (B) (B) (A) (A) (B) (A) (B) (A)
|
|
(A) (B) (B) (A) (A) (B) (B) (A) (B) (A) (B) (B)
|
|
(B) (A) (A) (A) (B) (A) (B) (A) (A) (B) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (A) (B)
|
|
(B) (A) (B) (A) (A) (B) (A) (A) (B) (B) (B) (A)
|
|
(B) (A) (B) (B) (A) (A) (B) (B) (A) (A) (A) (B)
|
|
(A) (B) (A) (B) (A) (B) (B) (B) (B) (A) (A) (B)
|
|
(A) (A) (B) (B) (A) (A) (B) (A) (A) (B) (A) (A)
|
|
(B) (B) (B) (A) (B) (A) (B) (B) (A) (A) (B) (A)
|
|
(B) (B) (B) (A) (A) (A) (B) (A) (A) (B) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (A) (B) (B) (A) (A) (B)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (B)
|
|
(A) (A) (B) (A) (B) (B) (A) (B) (A) (B) (A) (B)
|
|
(A) (A) (B) (A) (B) (A) (B) (A) (B) (B) (A) (A)
|
|
(A) (A) (B) (B) (A) (B) (A) (B) (A) (A) (B) (B)
|
|
(B) (A) (B) (A) (B) (A) (A) (B) (B) (B) (A) (A)
|
|
(B) (B) (A) (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B) (B) (A) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (A) (B) (A) (B) (A) (B) (B) (B) (A) (A)
|
|
(B) (A) (B) (A) (B) (A) (B) (A) (B) (A) (B) (A)
|
|
(B) (A) (B) (A) (B) (A) (B)
|
|
The electronic state is 1-A.
|
|
Alpha occ. eigenvalues -- -20.62934 -20.62905 -1.47696 -1.21296 -0.71569
|
|
Alpha occ. eigenvalues -- -0.71106 -0.61112 -0.51817 -0.48725
|
|
Alpha virt. eigenvalues -- 0.09587 0.10799 0.21724 0.30707 0.33880
|
|
Alpha virt. eigenvalues -- 0.35592 0.37912 0.40379 0.41720 0.44043
|
|
Alpha virt. eigenvalues -- 0.47446 0.51994 0.58755 0.63638 0.64650
|
|
Alpha virt. eigenvalues -- 0.73838 0.74109 0.86599 0.89483 0.97404
|
|
Alpha virt. eigenvalues -- 0.99607 1.13088 1.16531 1.17664 1.19958
|
|
Alpha virt. eigenvalues -- 1.24118 1.28206 1.31525 1.36015 1.43592
|
|
Alpha virt. eigenvalues -- 1.44014 1.44866 1.58610 1.61596 1.64537
|
|
Alpha virt. eigenvalues -- 1.69135 1.77997 1.78433 1.81051 1.87680
|
|
Alpha virt. eigenvalues -- 1.92833 1.94356 1.94921 2.03034 2.11911
|
|
Alpha virt. eigenvalues -- 2.16628 2.16844 2.21460 2.28519 2.30282
|
|
Alpha virt. eigenvalues -- 2.42540 2.54548 2.60556 2.61062 2.64202
|
|
Alpha virt. eigenvalues -- 2.67355 2.76769 2.76962 2.84141 2.91411
|
|
Alpha virt. eigenvalues -- 3.04104 3.05259 3.12543 3.16260 3.18079
|
|
Alpha virt. eigenvalues -- 3.23338 3.25125 3.32720 3.39416 3.51059
|
|
Alpha virt. eigenvalues -- 3.56481 3.58460 3.62664 3.64139 3.69732
|
|
Alpha virt. eigenvalues -- 3.70143 3.75114 3.87310 4.00809 4.02855
|
|
Alpha virt. eigenvalues -- 4.07036 4.10267 4.15214 4.27943 4.43070
|
|
Alpha virt. eigenvalues -- 4.46776 4.48703 4.59550 4.60765 4.65102
|
|
Alpha virt. eigenvalues -- 4.71016 4.76765 4.81878 4.84050 4.94015
|
|
Alpha virt. eigenvalues -- 4.96164 4.97358 5.06288 5.15170 5.16705
|
|
Alpha virt. eigenvalues -- 5.35980 5.40359 5.51196 5.61393 5.70066
|
|
Alpha virt. eigenvalues -- 5.71282 5.76155 5.86324 5.98559 6.10368
|
|
Alpha virt. eigenvalues -- 6.19816 6.23750 6.27064 6.42641 6.51987
|
|
Alpha virt. eigenvalues -- 6.53573 6.62065 6.62364 6.69078 6.79980
|
|
Alpha virt. eigenvalues -- 6.81227 6.99076 7.11076 7.17168 7.18397
|
|
Alpha virt. eigenvalues -- 7.23521 7.32022 7.37501 7.42135 7.47849
|
|
Alpha virt. eigenvalues -- 7.50346 7.58480 7.60871 7.61267 7.70185
|
|
Alpha virt. eigenvalues -- 7.70578 7.71583 7.80072 8.03186 8.05913
|
|
Alpha virt. eigenvalues -- 8.10012 8.14174 8.18675 8.19948 8.25576
|
|
Alpha virt. eigenvalues -- 8.40345 8.44387 8.54825 8.90023 9.30322
|
|
Alpha virt. eigenvalues -- 9.41039 9.41568 9.48257 9.74642 9.80628
|
|
Alpha virt. eigenvalues -- 9.80818 9.99487 10.04047 10.92942 11.94451
|
|
Alpha virt. eigenvalues -- 12.24321 12.25744 12.36605 12.41748 12.42158
|
|
Alpha virt. eigenvalues -- 12.47509 12.53545 12.55330 12.55469 12.59899
|
|
Alpha virt. eigenvalues -- 12.62541 12.67931 12.69855 12.83419 12.85948
|
|
Alpha virt. eigenvalues -- 12.90902 13.00515 13.05346 13.05618 13.07758
|
|
Alpha virt. eigenvalues -- 13.13202 13.23279 13.24267 13.63661 13.65988
|
|
Alpha virt. eigenvalues -- 13.70654 13.71144 13.77690 13.80347 13.86780
|
|
Alpha virt. eigenvalues -- 13.92866 13.99515 14.03332 14.07167 14.07228
|
|
Alpha virt. eigenvalues -- 14.18265 14.23380 14.28599 14.35313 14.45289
|
|
Alpha virt. eigenvalues -- 14.57343 14.60590 14.61946 14.70837 14.99584
|
|
Alpha virt. eigenvalues -- 15.16174 15.32325 15.58824 15.65952 15.77645
|
|
Alpha virt. eigenvalues -- 15.81771 15.85869 15.98203 16.13822 16.18684
|
|
Alpha virt. eigenvalues -- 16.47818 16.51361 16.54693 16.56099 16.70480
|
|
Alpha virt. eigenvalues -- 16.82901 16.83978 16.95018 16.98518 17.39062
|
|
Alpha virt. eigenvalues -- 17.50497 17.65319 17.70227 17.73762 17.85580
|
|
Alpha virt. eigenvalues -- 17.87174 17.98736 18.03107 18.31057 18.32232
|
|
Alpha virt. eigenvalues -- 18.37221 18.46187 18.65745 18.77585 18.80130
|
|
Alpha virt. eigenvalues -- 18.83730 18.94776 18.98158 19.00904 19.01264
|
|
Alpha virt. eigenvalues -- 19.14821 19.20228 19.27423 19.36426 19.47041
|
|
Alpha virt. eigenvalues -- 19.51015 19.55770 19.67750 19.70147 19.90053
|
|
Alpha virt. eigenvalues -- 19.92017 20.07835 20.08477 20.12714 20.19620
|
|
Alpha virt. eigenvalues -- 20.55440 20.92223 20.96266 21.16537 21.38397
|
|
Alpha virt. eigenvalues -- 22.26107 22.43425 22.66604 22.70045 22.86210
|
|
Alpha virt. eigenvalues -- 23.01564 23.06854 23.57354 23.60646 23.62447
|
|
Alpha virt. eigenvalues -- 23.80352 24.44819 25.19574 25.41513 25.87064
|
|
Alpha virt. eigenvalues -- 25.92524 63.96857 64.73139
|
|
Molecular Orbital Coefficients:
|
|
1 2 3 4 5
|
|
O O O O O
|
|
Eigenvalues -- -20.62934 -20.62905 -1.47696 -1.21296 -0.71569
|
|
1 1 O 1S 0.40397 0.40399 -0.08306 -0.08438 0.00827
|
|
2 2S -0.30144 -0.30143 0.14299 0.14703 -0.01477
|
|
3 3S 0.04511 0.04524 0.00479 0.00593 -0.00111
|
|
4 4S 0.00033 -0.00019 0.23192 0.24439 -0.02445
|
|
5 5S 0.00225 0.00302 0.32219 0.34427 -0.04566
|
|
6 6S 0.00059 0.00150 0.09580 0.14332 -0.03378
|
|
7 7PX 0.00073 0.00073 0.00580 0.01379 0.03306
|
|
8 7PY -0.00089 -0.00088 -0.01431 0.01762 0.04159
|
|
9 7PZ 0.00056 0.00056 0.00506 0.00778 0.06509
|
|
10 8PX -0.00022 -0.00023 0.01006 0.02320 0.05637
|
|
11 8PY 0.00019 0.00034 -0.02331 0.02860 0.07019
|
|
12 8PZ -0.00016 -0.00017 0.00875 0.01319 0.11147
|
|
13 9PX 0.00039 0.00046 0.01745 0.04046 0.08638
|
|
14 9PY -0.00029 -0.00021 -0.04457 0.04328 0.11213
|
|
15 9PZ 0.00029 0.00033 0.01487 0.02321 0.16680
|
|
16 10PX 0.00075 0.00066 0.01073 0.02912 0.07206
|
|
17 10PY 0.00022 -0.00095 -0.02532 0.03424 0.09033
|
|
18 10PZ 0.00052 0.00045 0.01131 0.01917 0.14214
|
|
19 11PX 0.00007 0.00007 0.00098 0.00191 0.01802
|
|
20 11PY 0.00005 -0.00010 -0.00114 0.00305 0.01840
|
|
21 11PZ 0.00004 0.00005 0.00153 0.00196 0.04203
|
|
22 12D 0 -0.00010 -0.00011 -0.00009 0.00033 0.00039
|
|
23 12D+1 0.00009 0.00009 0.00008 0.00022 0.00071
|
|
24 12D-1 0.00002 0.00002 -0.00005 0.00007 -0.00024
|
|
25 12D+2 -0.00010 -0.00011 -0.00010 0.00076 0.00094
|
|
26 12D-2 0.00003 0.00003 -0.00002 0.00001 0.00028
|
|
27 13D 0 0.00016 0.00021 -0.00103 0.00060 0.00182
|
|
28 13D+1 -0.00015 -0.00015 0.00099 0.00159 0.00330
|
|
29 13D-1 -0.00002 -0.00003 -0.00009 0.00051 -0.00055
|
|
30 13D+2 0.00015 0.00024 -0.00097 0.00236 0.00399
|
|
31 13D-2 -0.00005 -0.00005 0.00013 0.00046 0.00134
|
|
32 14D 0 -0.00002 -0.00012 -0.00547 0.00187 0.00673
|
|
33 14D+1 0.00023 0.00025 0.00398 0.00745 0.01106
|
|
34 14D-1 -0.00002 0.00001 -0.00014 0.00209 -0.00365
|
|
35 14D+2 0.00015 -0.00001 -0.00607 0.00929 0.01656
|
|
36 14D-2 -0.00001 0.00001 0.00099 0.00170 0.00470
|
|
37 15D 0 0.00004 -0.00021 -0.00244 0.00294 0.00565
|
|
38 15D+1 0.00030 0.00023 0.00126 0.00404 0.00832
|
|
39 15D-1 0.00007 0.00003 -0.00085 0.00067 -0.00252
|
|
40 15D+2 0.00030 -0.00018 -0.00251 0.00885 0.01043
|
|
41 15D-2 0.00010 0.00004 0.00113 0.00165 0.00137
|
|
42 16F 0 0.00000 0.00000 -0.00004 -0.00005 -0.00023
|
|
43 16F+1 0.00000 0.00000 0.00002 0.00001 0.00010
|
|
44 16F-1 0.00000 -0.00001 0.00005 -0.00004 -0.00009
|
|
45 16F+2 0.00000 0.00000 0.00004 0.00004 0.00000
|
|
46 16F-2 0.00001 0.00000 0.00001 0.00005 0.00014
|
|
47 16F+3 0.00000 0.00000 0.00003 -0.00001 -0.00005
|
|
48 16F-3 0.00000 -0.00001 0.00006 -0.00002 -0.00005
|
|
49 17F 0 -0.00003 -0.00003 -0.00058 -0.00080 -0.00209
|
|
50 17F+1 0.00002 0.00002 0.00033 0.00039 0.00101
|
|
51 17F-1 0.00002 0.00003 0.00139 -0.00043 -0.00116
|
|
52 17F+2 0.00005 0.00006 0.00069 0.00131 0.00021
|
|
53 17F-2 0.00000 0.00001 0.00020 0.00069 0.00114
|
|
54 17F+3 0.00004 0.00004 0.00044 0.00032 0.00061
|
|
55 17F-3 0.00002 0.00004 0.00191 -0.00006 -0.00095
|
|
56 18F 0 -0.00006 -0.00005 -0.00104 -0.00125 -0.00306
|
|
57 18F+1 0.00006 0.00005 0.00044 0.00072 0.00092
|
|
58 18F-1 0.00001 0.00013 0.00238 -0.00046 -0.00195
|
|
59 18F+2 0.00014 0.00011 0.00078 0.00206 0.00009
|
|
60 18F-2 0.00003 0.00002 0.00074 0.00114 0.00112
|
|
61 18F+3 0.00011 0.00007 0.00075 0.00091 0.00071
|
|
62 18F-3 0.00003 0.00018 0.00311 -0.00010 -0.00122
|
|
63 19G 0 0.00000 0.00000 -0.00001 -0.00005 -0.00007
|
|
64 19G+1 0.00000 0.00000 -0.00003 -0.00004 -0.00003
|
|
65 19G-1 0.00000 0.00000 -0.00001 -0.00002 -0.00001
|
|
66 19G+2 0.00000 0.00000 0.00007 0.00003 0.00002
|
|
67 19G-2 0.00000 0.00000 0.00001 0.00002 0.00002
|
|
68 19G+3 0.00000 0.00000 0.00004 0.00004 0.00006
|
|
69 19G-3 0.00000 0.00000 0.00002 0.00005 0.00006
|
|
70 19G+4 0.00000 0.00000 0.00008 0.00001 -0.00004
|
|
71 19G-4 0.00000 0.00000 0.00001 0.00004 0.00000
|
|
72 20G 0 -0.00001 0.00001 0.00025 -0.00048 -0.00071
|
|
73 20G+1 -0.00001 -0.00001 -0.00017 -0.00025 -0.00026
|
|
74 20G-1 0.00000 0.00000 0.00007 -0.00006 0.00051
|
|
75 20G+2 0.00004 0.00006 0.00086 0.00012 -0.00009
|
|
76 20G-2 0.00000 0.00000 0.00010 0.00021 0.00016
|
|
77 20G+3 0.00004 0.00004 0.00028 0.00052 0.00037
|
|
78 20G-3 0.00000 0.00000 0.00026 0.00030 0.00089
|
|
79 20G+4 0.00004 0.00007 0.00088 -0.00010 -0.00039
|
|
80 20G-4 0.00000 0.00000 0.00013 0.00033 0.00017
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00006
|
|
82 21H+1 -0.00001 -0.00001 -0.00005 -0.00008 -0.00008
|
|
83 21H-1 0.00000 -0.00001 -0.00010 0.00001 0.00005
|
|
84 21H+2 0.00000 0.00000 0.00000 -0.00001 0.00010
|
|
85 21H-2 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
86 21H+3 0.00001 0.00001 0.00004 0.00008 0.00005
|
|
87 21H-3 0.00000 -0.00001 -0.00008 0.00008 0.00014
|
|
88 21H+4 0.00001 0.00001 0.00005 0.00006 0.00011
|
|
89 21H-4 0.00000 0.00000 0.00004 0.00006 0.00007
|
|
90 21H+5 0.00001 0.00000 0.00002 0.00004 0.00000
|
|
91 21H-5 0.00000 -0.00001 -0.00010 0.00008 0.00013
|
|
92 2 O 1S 0.40397 -0.40399 -0.08306 0.08438 0.00827
|
|
93 2S -0.30144 0.30143 0.14299 -0.14703 -0.01477
|
|
94 3S 0.04511 -0.04524 0.00479 -0.00593 -0.00111
|
|
95 4S 0.00033 0.00019 0.23192 -0.24439 -0.02445
|
|
96 5S 0.00225 -0.00302 0.32219 -0.34427 -0.04566
|
|
97 6S 0.00059 -0.00150 0.09580 -0.14332 -0.03378
|
|
98 7PX -0.00073 0.00073 -0.00580 0.01379 -0.03306
|
|
99 7PY 0.00089 -0.00088 0.01431 0.01762 -0.04159
|
|
100 7PZ 0.00056 -0.00056 0.00506 -0.00778 0.06509
|
|
101 8PX 0.00022 -0.00023 -0.01006 0.02320 -0.05637
|
|
102 8PY -0.00019 0.00034 0.02331 0.02860 -0.07019
|
|
103 8PZ -0.00016 0.00017 0.00875 -0.01319 0.11147
|
|
104 9PX -0.00039 0.00046 -0.01745 0.04046 -0.08638
|
|
105 9PY 0.00029 -0.00021 0.04457 0.04328 -0.11213
|
|
106 9PZ 0.00029 -0.00033 0.01487 -0.02321 0.16680
|
|
107 10PX -0.00075 0.00066 -0.01073 0.02912 -0.07206
|
|
108 10PY -0.00022 -0.00095 0.02532 0.03424 -0.09033
|
|
109 10PZ 0.00052 -0.00045 0.01131 -0.01917 0.14214
|
|
110 11PX -0.00007 0.00007 -0.00098 0.00191 -0.01802
|
|
111 11PY -0.00005 -0.00010 0.00114 0.00305 -0.01840
|
|
112 11PZ 0.00004 -0.00005 0.00153 -0.00196 0.04203
|
|
113 12D 0 -0.00010 0.00011 -0.00009 -0.00033 0.00039
|
|
114 12D+1 -0.00009 0.00009 -0.00008 0.00022 -0.00071
|
|
115 12D-1 -0.00002 0.00002 0.00005 0.00007 0.00024
|
|
116 12D+2 -0.00010 0.00011 -0.00010 -0.00076 0.00094
|
|
117 12D-2 0.00003 -0.00003 -0.00002 -0.00001 0.00028
|
|
118 13D 0 0.00016 -0.00021 -0.00103 -0.00060 0.00182
|
|
119 13D+1 0.00015 -0.00015 -0.00099 0.00159 -0.00330
|
|
120 13D-1 0.00002 -0.00003 0.00009 0.00051 0.00055
|
|
121 13D+2 0.00015 -0.00024 -0.00097 -0.00236 0.00399
|
|
122 13D-2 -0.00005 0.00005 0.00013 -0.00046 0.00134
|
|
123 14D 0 -0.00002 0.00012 -0.00547 -0.00187 0.00673
|
|
124 14D+1 -0.00023 0.00025 -0.00398 0.00745 -0.01106
|
|
125 14D-1 0.00002 0.00001 0.00014 0.00209 0.00365
|
|
126 14D+2 0.00015 0.00001 -0.00607 -0.00929 0.01656
|
|
127 14D-2 -0.00001 -0.00001 0.00099 -0.00170 0.00470
|
|
128 15D 0 0.00004 0.00021 -0.00244 -0.00294 0.00565
|
|
129 15D+1 -0.00030 0.00023 -0.00126 0.00404 -0.00832
|
|
130 15D-1 -0.00007 0.00003 0.00085 0.00067 0.00252
|
|
131 15D+2 0.00030 0.00018 -0.00251 -0.00885 0.01043
|
|
132 15D-2 0.00010 -0.00004 0.00113 -0.00165 0.00137
|
|
133 16F 0 0.00000 0.00000 -0.00004 0.00005 -0.00023
|
|
134 16F+1 0.00000 0.00000 -0.00002 0.00001 -0.00010
|
|
135 16F-1 0.00000 -0.00001 -0.00005 -0.00004 0.00009
|
|
136 16F+2 0.00000 0.00000 0.00004 -0.00004 0.00000
|
|
137 16F-2 0.00001 0.00000 0.00001 -0.00005 0.00014
|
|
138 16F+3 0.00000 0.00000 -0.00003 -0.00001 0.00005
|
|
139 16F-3 0.00000 -0.00001 -0.00006 -0.00002 0.00005
|
|
140 17F 0 -0.00003 0.00003 -0.00058 0.00080 -0.00209
|
|
141 17F+1 -0.00002 0.00002 -0.00033 0.00039 -0.00101
|
|
142 17F-1 -0.00002 0.00003 -0.00139 -0.00043 0.00116
|
|
143 17F+2 0.00005 -0.00006 0.00069 -0.00131 0.00021
|
|
144 17F-2 0.00000 -0.00001 0.00020 -0.00069 0.00114
|
|
145 17F+3 -0.00004 0.00004 -0.00044 0.00032 -0.00061
|
|
146 17F-3 -0.00002 0.00004 -0.00191 -0.00006 0.00095
|
|
147 18F 0 -0.00006 0.00005 -0.00104 0.00125 -0.00306
|
|
148 18F+1 -0.00006 0.00005 -0.00044 0.00072 -0.00092
|
|
149 18F-1 -0.00001 0.00013 -0.00238 -0.00046 0.00195
|
|
150 18F+2 0.00014 -0.00011 0.00078 -0.00206 0.00009
|
|
151 18F-2 0.00003 -0.00002 0.00074 -0.00114 0.00112
|
|
152 18F+3 -0.00011 0.00007 -0.00075 0.00091 -0.00071
|
|
153 18F-3 -0.00003 0.00018 -0.00311 -0.00010 0.00122
|
|
154 19G 0 0.00000 0.00000 -0.00001 0.00005 -0.00007
|
|
155 19G+1 0.00000 0.00000 0.00003 -0.00004 0.00003
|
|
156 19G-1 0.00000 0.00000 0.00001 -0.00002 0.00001
|
|
157 19G+2 0.00000 0.00000 0.00007 -0.00003 0.00002
|
|
158 19G-2 0.00000 0.00000 0.00001 -0.00002 0.00002
|
|
159 19G+3 0.00000 0.00000 -0.00004 0.00004 -0.00006
|
|
160 19G-3 0.00000 0.00000 -0.00002 0.00005 -0.00006
|
|
161 19G+4 0.00000 0.00000 0.00008 -0.00001 -0.00004
|
|
162 19G-4 0.00000 0.00000 0.00001 -0.00004 0.00000
|
|
163 20G 0 -0.00001 -0.00001 0.00025 0.00048 -0.00071
|
|
164 20G+1 0.00001 -0.00001 0.00017 -0.00025 0.00026
|
|
165 20G-1 0.00000 0.00000 -0.00007 -0.00006 -0.00051
|
|
166 20G+2 0.00004 -0.00006 0.00086 -0.00012 -0.00009
|
|
167 20G-2 0.00000 0.00000 0.00010 -0.00021 0.00016
|
|
168 20G+3 -0.00004 0.00004 -0.00028 0.00052 -0.00037
|
|
169 20G-3 0.00000 0.00000 -0.00026 0.00030 -0.00089
|
|
170 20G+4 0.00004 -0.00007 0.00088 0.00010 -0.00039
|
|
171 20G-4 0.00000 0.00000 0.00013 -0.00033 0.00017
|
|
172 21H 0 0.00000 0.00000 0.00000 0.00000 0.00006
|
|
173 21H+1 0.00001 -0.00001 0.00005 -0.00008 0.00008
|
|
174 21H-1 0.00000 -0.00001 0.00010 0.00001 -0.00005
|
|
175 21H+2 0.00000 0.00000 0.00000 0.00001 0.00010
|
|
176 21H-2 0.00000 0.00000 0.00000 0.00001 -0.00001
|
|
177 21H+3 -0.00001 0.00001 -0.00004 0.00008 -0.00005
|
|
178 21H-3 0.00000 -0.00001 0.00008 0.00008 -0.00014
|
|
179 21H+4 0.00001 -0.00001 0.00005 -0.00006 0.00011
|
|
180 21H-4 0.00000 0.00000 0.00004 -0.00006 0.00007
|
|
181 21H+5 -0.00001 0.00000 -0.00002 0.00004 0.00000
|
|
182 21H-5 0.00000 -0.00001 0.00010 0.00008 -0.00013
|
|
183 3 H 1S 0.00004 0.00004 0.01379 0.02017 0.02544
|
|
184 2S -0.00005 -0.00001 0.03077 0.04686 0.06254
|
|
185 3S -0.00135 -0.00126 0.04543 0.06252 0.10606
|
|
186 4S -0.00043 -0.00050 0.00554 0.01928 0.07524
|
|
187 5S 0.00000 0.00000 0.00064 0.00224 0.00750
|
|
188 6PX -0.00001 -0.00001 -0.00091 -0.00127 -0.00118
|
|
189 6PY -0.00001 -0.00001 -0.00031 -0.00018 0.00001
|
|
190 6PZ -0.00001 -0.00001 -0.00059 -0.00086 -0.00047
|
|
191 7PX 0.00005 0.00003 -0.00316 -0.00404 -0.00426
|
|
192 7PY 0.00002 0.00001 -0.00116 -0.00053 -0.00014
|
|
193 7PZ 0.00003 0.00003 -0.00211 -0.00272 -0.00130
|
|
194 8PX 0.00042 0.00048 -0.00740 -0.00703 -0.00933
|
|
195 8PY 0.00021 0.00022 -0.00379 0.00035 0.00203
|
|
196 8PZ 0.00027 0.00030 -0.00476 -0.00496 -0.00123
|
|
197 9PX 0.00023 0.00025 -0.00081 -0.00161 -0.00635
|
|
198 9PY 0.00003 0.00008 -0.00027 0.00086 0.00652
|
|
199 9PZ 0.00016 0.00017 -0.00061 -0.00117 0.00333
|
|
200 10D 0 0.00000 0.00000 -0.00002 -0.00001 -0.00015
|
|
201 10D+1 -0.00001 -0.00001 0.00028 0.00049 0.00051
|
|
202 10D-1 0.00000 0.00000 0.00010 0.00009 0.00002
|
|
203 10D+2 -0.00001 0.00000 0.00021 0.00038 0.00051
|
|
204 10D-2 0.00000 0.00000 0.00014 0.00012 0.00014
|
|
205 11D 0 0.00001 0.00002 -0.00028 0.00002 -0.00059
|
|
206 11D+1 -0.00003 -0.00004 0.00125 0.00083 0.00017
|
|
207 11D-1 -0.00005 -0.00004 0.00041 -0.00004 -0.00027
|
|
208 11D+2 -0.00001 -0.00002 0.00055 0.00058 0.00063
|
|
209 11D-2 -0.00008 -0.00007 0.00069 -0.00002 -0.00014
|
|
210 12D 0 0.00000 0.00002 0.00005 0.00035 -0.00091
|
|
211 12D+1 -0.00003 -0.00008 0.00092 0.00114 0.00022
|
|
212 12D-1 -0.00004 -0.00004 0.00065 0.00013 -0.00151
|
|
213 12D+2 -0.00004 -0.00005 0.00083 0.00124 0.00240
|
|
214 12D-2 -0.00004 -0.00007 0.00093 -0.00005 -0.00097
|
|
215 13F 0 0.00000 0.00000 0.00006 0.00005 0.00016
|
|
216 13F+1 0.00000 0.00000 -0.00002 -0.00005 0.00000
|
|
217 13F-1 0.00000 0.00000 0.00001 -0.00001 0.00001
|
|
218 13F+2 0.00000 0.00000 -0.00005 -0.00012 -0.00022
|
|
219 13F-2 0.00001 0.00001 -0.00005 -0.00001 -0.00004
|
|
220 13F+3 0.00000 0.00000 0.00000 -0.00007 -0.00014
|
|
221 13F-3 0.00001 0.00001 -0.00002 -0.00002 -0.00007
|
|
222 14F 0 0.00001 0.00000 0.00029 0.00022 0.00004
|
|
223 14F+1 -0.00001 -0.00001 -0.00016 -0.00017 0.00025
|
|
224 14F-1 0.00000 0.00000 -0.00004 -0.00005 0.00007
|
|
225 14F+2 -0.00003 -0.00001 -0.00040 -0.00031 -0.00025
|
|
226 14F-2 0.00003 0.00002 -0.00025 -0.00013 0.00028
|
|
227 14F+3 -0.00002 -0.00001 -0.00016 -0.00016 -0.00038
|
|
228 14F-3 0.00002 0.00002 -0.00026 -0.00010 0.00001
|
|
229 15G 0 0.00000 0.00000 -0.00002 -0.00003 -0.00003
|
|
230 15G+1 0.00000 0.00000 -0.00002 -0.00003 -0.00008
|
|
231 15G-1 0.00000 0.00000 -0.00001 -0.00001 0.00001
|
|
232 15G+2 0.00001 0.00001 0.00001 0.00005 0.00002
|
|
233 15G-2 0.00000 0.00000 0.00001 0.00001 -0.00001
|
|
234 15G+3 0.00001 0.00001 0.00002 0.00004 0.00010
|
|
235 15G-3 0.00000 0.00000 0.00003 0.00002 0.00001
|
|
236 15G+4 0.00001 0.00001 0.00000 0.00002 0.00004
|
|
237 15G-4 0.00000 0.00000 0.00001 0.00001 0.00005
|
|
238 4 H 1S 0.00004 -0.00004 0.01379 -0.02017 0.02544
|
|
239 2S -0.00005 0.00001 0.03077 -0.04686 0.06254
|
|
240 3S -0.00135 0.00126 0.04543 -0.06252 0.10606
|
|
241 4S -0.00043 0.00050 0.00554 -0.01928 0.07524
|
|
242 5S 0.00000 0.00000 0.00064 -0.00224 0.00750
|
|
243 6PX 0.00001 -0.00001 0.00091 -0.00127 0.00118
|
|
244 6PY 0.00001 -0.00001 0.00031 -0.00018 -0.00001
|
|
245 6PZ -0.00001 0.00001 -0.00059 0.00086 -0.00047
|
|
246 7PX -0.00005 0.00003 0.00316 -0.00404 0.00426
|
|
247 7PY -0.00002 0.00001 0.00116 -0.00053 0.00014
|
|
248 7PZ 0.00003 -0.00003 -0.00211 0.00272 -0.00130
|
|
249 8PX -0.00042 0.00048 0.00740 -0.00703 0.00933
|
|
250 8PY -0.00021 0.00022 0.00379 0.00035 -0.00203
|
|
251 8PZ 0.00027 -0.00030 -0.00476 0.00496 -0.00123
|
|
252 9PX -0.00023 0.00025 0.00081 -0.00161 0.00635
|
|
253 9PY -0.00003 0.00008 0.00027 0.00086 -0.00652
|
|
254 9PZ 0.00016 -0.00017 -0.00061 0.00117 0.00333
|
|
255 10D 0 0.00000 0.00000 -0.00002 0.00001 -0.00015
|
|
256 10D+1 0.00001 -0.00001 -0.00028 0.00049 -0.00051
|
|
257 10D-1 0.00000 0.00000 -0.00010 0.00009 -0.00002
|
|
258 10D+2 -0.00001 0.00000 0.00021 -0.00038 0.00051
|
|
259 10D-2 0.00000 0.00000 0.00014 -0.00012 0.00014
|
|
260 11D 0 0.00001 -0.00002 -0.00028 -0.00002 -0.00059
|
|
261 11D+1 0.00003 -0.00004 -0.00125 0.00083 -0.00017
|
|
262 11D-1 0.00005 -0.00004 -0.00041 -0.00004 0.00027
|
|
263 11D+2 -0.00001 0.00002 0.00055 -0.00058 0.00063
|
|
264 11D-2 -0.00008 0.00007 0.00069 0.00002 -0.00014
|
|
265 12D 0 0.00000 -0.00002 0.00005 -0.00035 -0.00091
|
|
266 12D+1 0.00003 -0.00008 -0.00092 0.00114 -0.00022
|
|
267 12D-1 0.00004 -0.00004 -0.00065 0.00013 0.00151
|
|
268 12D+2 -0.00004 0.00005 0.00083 -0.00124 0.00240
|
|
269 12D-2 -0.00004 0.00007 0.00093 0.00005 -0.00097
|
|
270 13F 0 0.00000 0.00000 0.00006 -0.00005 0.00016
|
|
271 13F+1 0.00000 0.00000 0.00002 -0.00005 0.00000
|
|
272 13F-1 0.00000 0.00000 -0.00001 -0.00001 -0.00001
|
|
273 13F+2 0.00000 0.00000 -0.00005 0.00012 -0.00022
|
|
274 13F-2 0.00001 -0.00001 -0.00005 0.00001 -0.00004
|
|
275 13F+3 0.00000 0.00000 0.00000 -0.00007 0.00014
|
|
276 13F-3 -0.00001 0.00001 0.00002 -0.00002 0.00007
|
|
277 14F 0 0.00001 0.00000 0.00029 -0.00022 0.00004
|
|
278 14F+1 0.00001 -0.00001 0.00016 -0.00017 -0.00025
|
|
279 14F-1 0.00000 0.00000 0.00004 -0.00005 -0.00007
|
|
280 14F+2 -0.00003 0.00001 -0.00040 0.00031 -0.00025
|
|
281 14F-2 0.00003 -0.00002 -0.00025 0.00013 0.00028
|
|
282 14F+3 0.00002 -0.00001 0.00016 -0.00016 0.00038
|
|
283 14F-3 -0.00002 0.00002 0.00026 -0.00010 -0.00001
|
|
284 15G 0 0.00000 0.00000 -0.00002 0.00003 -0.00003
|
|
285 15G+1 0.00000 0.00000 0.00002 -0.00003 0.00008
|
|
286 15G-1 0.00000 0.00000 0.00001 -0.00001 -0.00001
|
|
287 15G+2 0.00001 -0.00001 0.00001 -0.00005 0.00002
|
|
288 15G-2 0.00000 0.00000 0.00001 -0.00001 -0.00001
|
|
289 15G+3 -0.00001 0.00001 -0.00002 0.00004 -0.00010
|
|
290 15G-3 0.00000 0.00000 -0.00003 0.00002 -0.00001
|
|
291 15G+4 0.00001 -0.00001 0.00000 -0.00002 0.00004
|
|
292 15G-4 0.00000 0.00000 0.00001 -0.00001 0.00005
|
|
6 7 8 9 10
|
|
O O O O V
|
|
Eigenvalues -- -0.71106 -0.61112 -0.51817 -0.48725 0.09587
|
|
1 1 O 1S 0.02747 -0.01644 0.01733 0.01038 0.01761
|
|
2 2S -0.04929 0.02993 -0.03152 -0.01881 -0.02948
|
|
3 3S -0.00339 0.00260 -0.00268 -0.00141 0.00342
|
|
4 4S -0.08528 0.05570 -0.05791 -0.03312 -0.06505
|
|
5 5S -0.14352 0.07035 -0.07455 -0.06158 0.18697
|
|
6 6S -0.12000 0.04347 -0.09925 -0.05067 -0.39084
|
|
7 7PX 0.08044 0.01759 0.08482 -0.02704 -0.01378
|
|
8 7PY -0.00937 0.07104 -0.03862 -0.00356 -0.01101
|
|
9 7PZ 0.01481 -0.05677 -0.02914 0.09837 -0.01281
|
|
10 8PX 0.13798 0.03058 0.14696 -0.04680 -0.02104
|
|
11 8PY -0.01583 0.12104 -0.06579 -0.00619 -0.01709
|
|
12 8PZ 0.02538 -0.09775 -0.05082 0.17100 -0.01890
|
|
13 9PX 0.20276 0.04362 0.21572 -0.06879 0.00720
|
|
14 9PY -0.02257 0.18540 -0.10057 -0.00797 -0.02357
|
|
15 9PZ 0.03659 -0.14388 -0.07120 0.24666 -0.00921
|
|
16 10PX 0.16658 0.03613 0.20325 -0.07483 -0.10470
|
|
17 10PY -0.02404 0.16894 -0.09833 -0.01763 -0.08551
|
|
18 10PZ 0.02281 -0.13535 -0.07193 0.23555 -0.04682
|
|
19 11PX 0.04792 0.00659 0.10739 -0.04252 0.06208
|
|
20 11PY -0.01913 0.05935 -0.04267 -0.01578 -0.10205
|
|
21 11PZ 0.00179 -0.06086 -0.03133 0.12860 0.02655
|
|
22 12D 0 -0.00023 0.00026 -0.00047 0.00025 0.00052
|
|
23 12D+1 0.00063 -0.00007 0.00033 0.00046 -0.00093
|
|
24 12D-1 0.00009 0.00061 0.00018 0.00014 0.00007
|
|
25 12D+2 0.00034 0.00088 0.00005 -0.00002 -0.00008
|
|
26 12D-2 -0.00047 0.00024 0.00003 0.00028 -0.00055
|
|
27 13D 0 -0.00095 0.00071 -0.00239 0.00173 -0.00223
|
|
28 13D+1 0.00301 -0.00051 0.00193 0.00230 0.00461
|
|
29 13D-1 0.00027 0.00224 0.00055 0.00067 0.00067
|
|
30 13D+2 0.00192 0.00363 0.00098 -0.00007 0.00176
|
|
31 13D-2 -0.00151 0.00107 0.00040 0.00095 0.00300
|
|
32 14D 0 -0.00221 0.00426 -0.00628 0.00361 0.00925
|
|
33 14D+1 0.00743 -0.00071 0.00532 0.00574 -0.00576
|
|
34 14D-1 0.00131 0.00938 0.00251 0.00340 -0.00001
|
|
35 14D+2 0.00509 0.01335 0.00114 -0.00013 0.00250
|
|
36 14D-2 -0.00752 0.00432 0.00139 0.00388 -0.01395
|
|
37 15D 0 -0.00315 0.00305 -0.00512 0.00425 0.00077
|
|
38 15D+1 0.00613 -0.00197 0.00704 0.00263 -0.06393
|
|
39 15D-1 0.00071 0.00905 -0.00077 -0.00059 -0.04438
|
|
40 15D+2 -0.00046 0.01146 0.00066 -0.00457 -0.05379
|
|
41 15D-2 -0.00579 0.00326 -0.00526 0.00296 -0.02926
|
|
42 16F 0 -0.00017 0.00010 -0.00004 -0.00020 0.00016
|
|
43 16F+1 -0.00006 -0.00016 -0.00016 0.00028 -0.00008
|
|
44 16F-1 0.00003 -0.00022 0.00005 0.00007 -0.00023
|
|
45 16F+2 0.00019 0.00011 0.00024 -0.00014 -0.00041
|
|
46 16F-2 0.00002 0.00005 -0.00003 0.00009 0.00032
|
|
47 16F+3 -0.00010 -0.00007 -0.00009 0.00009 0.00017
|
|
48 16F-3 0.00013 -0.00017 0.00018 0.00001 -0.00028
|
|
49 17F 0 -0.00092 0.00079 -0.00042 -0.00019 -0.00058
|
|
50 17F+1 -0.00044 -0.00077 -0.00040 0.00158 0.00075
|
|
51 17F-1 0.00016 -0.00184 0.00082 0.00045 0.00130
|
|
52 17F+2 0.00133 0.00120 0.00193 0.00050 0.00319
|
|
53 17F-2 0.00031 0.00077 0.00001 0.00035 -0.00155
|
|
54 17F+3 -0.00137 -0.00013 0.00101 0.00068 -0.00007
|
|
55 17F-3 0.00067 -0.00151 0.00139 0.00005 0.00146
|
|
56 18F 0 -0.00088 0.00172 0.00067 -0.00074 0.01919
|
|
57 18F+1 -0.00102 -0.00079 -0.00007 0.00145 -0.00468
|
|
58 18F-1 0.00031 -0.00236 0.00052 0.00044 -0.00735
|
|
59 18F+2 0.00126 0.00227 0.00226 -0.00016 -0.02589
|
|
60 18F-2 -0.00014 0.00114 -0.00174 0.00089 -0.01608
|
|
61 18F+3 -0.00287 -0.00049 0.00032 0.00145 -0.00883
|
|
62 18F-3 0.00150 -0.00199 0.00071 0.00062 -0.02428
|
|
63 19G 0 -0.00002 -0.00001 0.00000 -0.00004 -0.00007
|
|
64 19G+1 -0.00004 -0.00002 -0.00006 0.00002 -0.00020
|
|
65 19G-1 -0.00001 -0.00001 0.00000 -0.00005 -0.00005
|
|
66 19G+2 0.00003 -0.00005 0.00003 0.00005 0.00028
|
|
67 19G-2 0.00000 -0.00001 -0.00001 0.00001 0.00021
|
|
68 19G+3 0.00006 0.00000 0.00007 0.00001 0.00016
|
|
69 19G-3 0.00001 0.00001 0.00003 -0.00003 0.00034
|
|
70 19G+4 0.00003 -0.00004 0.00005 0.00000 0.00028
|
|
71 19G-4 0.00002 0.00000 -0.00003 0.00000 0.00018
|
|
72 20G 0 -0.00017 -0.00029 0.00009 -0.00020 0.00183
|
|
73 20G+1 -0.00036 -0.00016 -0.00021 0.00006 0.00290
|
|
74 20G-1 -0.00009 -0.00080 -0.00033 -0.00026 0.00057
|
|
75 20G+2 0.00022 -0.00060 0.00034 0.00020 -0.00244
|
|
76 20G-2 0.00052 0.00011 -0.00027 0.00007 -0.00223
|
|
77 20G+3 0.00011 -0.00003 0.00020 0.00005 -0.00272
|
|
78 20G-3 0.00023 -0.00012 -0.00032 -0.00009 -0.00489
|
|
79 20G+4 0.00015 -0.00075 0.00037 0.00005 -0.00197
|
|
80 20G-4 0.00112 0.00020 -0.00033 -0.00032 -0.00281
|
|
81 21H 0 0.00002 -0.00005 -0.00002 -0.00003 0.00001
|
|
82 21H+1 -0.00003 -0.00001 -0.00002 -0.00003 0.00060
|
|
83 21H-1 -0.00001 0.00007 -0.00004 -0.00002 0.00016
|
|
84 21H+2 -0.00002 -0.00013 -0.00007 0.00001 0.00022
|
|
85 21H-2 0.00000 -0.00002 -0.00001 0.00001 0.00010
|
|
86 21H+3 0.00012 -0.00003 0.00002 0.00000 -0.00039
|
|
87 21H-3 0.00002 0.00014 -0.00008 0.00002 -0.00046
|
|
88 21H+4 0.00004 -0.00011 0.00002 -0.00001 -0.00040
|
|
89 21H-4 0.00006 0.00006 -0.00001 0.00002 -0.00063
|
|
90 21H+5 0.00017 -0.00003 0.00001 -0.00007 -0.00007
|
|
91 21H-5 0.00002 0.00016 -0.00006 0.00000 -0.00044
|
|
92 2 O 1S -0.02747 -0.01644 0.01733 -0.01038 0.01761
|
|
93 2S 0.04929 0.02993 -0.03152 0.01881 -0.02948
|
|
94 3S 0.00339 0.00260 -0.00268 0.00141 0.00342
|
|
95 4S 0.08528 0.05570 -0.05791 0.03312 -0.06505
|
|
96 5S 0.14352 0.07035 -0.07455 0.06158 0.18697
|
|
97 6S 0.12000 0.04347 -0.09925 0.05067 -0.39084
|
|
98 7PX 0.08044 -0.01759 -0.08482 -0.02704 0.01378
|
|
99 7PY -0.00937 -0.07104 0.03862 -0.00356 0.01101
|
|
100 7PZ -0.01481 -0.05677 -0.02914 -0.09837 -0.01281
|
|
101 8PX 0.13798 -0.03058 -0.14696 -0.04680 0.02104
|
|
102 8PY -0.01583 -0.12104 0.06579 -0.00619 0.01709
|
|
103 8PZ -0.02538 -0.09775 -0.05082 -0.17100 -0.01890
|
|
104 9PX 0.20276 -0.04362 -0.21572 -0.06879 -0.00720
|
|
105 9PY -0.02257 -0.18540 0.10057 -0.00797 0.02357
|
|
106 9PZ -0.03659 -0.14388 -0.07120 -0.24666 -0.00921
|
|
107 10PX 0.16658 -0.03613 -0.20325 -0.07483 0.10470
|
|
108 10PY -0.02404 -0.16894 0.09833 -0.01763 0.08551
|
|
109 10PZ -0.02281 -0.13535 -0.07193 -0.23555 -0.04682
|
|
110 11PX 0.04792 -0.00659 -0.10739 -0.04252 -0.06208
|
|
111 11PY -0.01913 -0.05935 0.04267 -0.01578 0.10205
|
|
112 11PZ -0.00179 -0.06086 -0.03133 -0.12860 0.02655
|
|
113 12D 0 0.00023 0.00026 -0.00047 -0.00025 0.00052
|
|
114 12D+1 0.00063 0.00007 -0.00033 0.00046 0.00093
|
|
115 12D-1 0.00009 -0.00061 -0.00018 0.00014 -0.00007
|
|
116 12D+2 -0.00034 0.00088 0.00005 0.00002 -0.00008
|
|
117 12D-2 0.00047 0.00024 0.00003 -0.00028 -0.00055
|
|
118 13D 0 0.00095 0.00071 -0.00239 -0.00173 -0.00223
|
|
119 13D+1 0.00301 0.00051 -0.00193 0.00230 -0.00461
|
|
120 13D-1 0.00027 -0.00224 -0.00055 0.00067 -0.00067
|
|
121 13D+2 -0.00192 0.00363 0.00098 0.00007 0.00176
|
|
122 13D-2 0.00151 0.00107 0.00040 -0.00095 0.00300
|
|
123 14D 0 0.00221 0.00426 -0.00628 -0.00361 0.00925
|
|
124 14D+1 0.00743 0.00071 -0.00532 0.00574 0.00576
|
|
125 14D-1 0.00131 -0.00938 -0.00251 0.00340 0.00001
|
|
126 14D+2 -0.00509 0.01335 0.00114 0.00013 0.00250
|
|
127 14D-2 0.00752 0.00432 0.00139 -0.00388 -0.01395
|
|
128 15D 0 0.00315 0.00305 -0.00512 -0.00425 0.00077
|
|
129 15D+1 0.00613 0.00197 -0.00704 0.00263 0.06393
|
|
130 15D-1 0.00071 -0.00905 0.00077 -0.00059 0.04438
|
|
131 15D+2 0.00046 0.01146 0.00066 0.00457 -0.05379
|
|
132 15D-2 0.00579 0.00326 -0.00526 -0.00296 -0.02926
|
|
133 16F 0 0.00017 0.00010 -0.00004 0.00020 0.00016
|
|
134 16F+1 -0.00006 0.00016 0.00016 0.00028 0.00008
|
|
135 16F-1 0.00003 0.00022 -0.00005 0.00007 0.00023
|
|
136 16F+2 -0.00019 0.00011 0.00024 0.00014 -0.00041
|
|
137 16F-2 -0.00002 0.00005 -0.00003 -0.00009 0.00032
|
|
138 16F+3 -0.00010 0.00007 0.00009 0.00009 -0.00017
|
|
139 16F-3 0.00013 0.00017 -0.00018 0.00001 0.00028
|
|
140 17F 0 0.00092 0.00079 -0.00042 0.00019 -0.00058
|
|
141 17F+1 -0.00044 0.00077 0.00040 0.00158 -0.00075
|
|
142 17F-1 0.00016 0.00184 -0.00082 0.00045 -0.00130
|
|
143 17F+2 -0.00133 0.00120 0.00193 -0.00050 0.00319
|
|
144 17F-2 -0.00031 0.00077 0.00001 -0.00035 -0.00155
|
|
145 17F+3 -0.00137 0.00013 -0.00101 0.00068 0.00007
|
|
146 17F-3 0.00067 0.00151 -0.00139 0.00005 -0.00146
|
|
147 18F 0 0.00088 0.00172 0.00067 0.00074 0.01919
|
|
148 18F+1 -0.00102 0.00079 0.00007 0.00145 0.00468
|
|
149 18F-1 0.00031 0.00236 -0.00052 0.00044 0.00735
|
|
150 18F+2 -0.00126 0.00227 0.00226 0.00016 -0.02589
|
|
151 18F-2 0.00014 0.00114 -0.00174 -0.00089 -0.01608
|
|
152 18F+3 -0.00287 0.00049 -0.00032 0.00145 0.00883
|
|
153 18F-3 0.00150 0.00199 -0.00071 0.00062 0.02428
|
|
154 19G 0 0.00002 -0.00001 0.00000 0.00004 -0.00007
|
|
155 19G+1 -0.00004 0.00002 0.00006 0.00002 0.00020
|
|
156 19G-1 -0.00001 0.00001 0.00000 -0.00005 0.00005
|
|
157 19G+2 -0.00003 -0.00005 0.00003 -0.00005 0.00028
|
|
158 19G-2 0.00000 -0.00001 -0.00001 -0.00001 0.00021
|
|
159 19G+3 0.00006 0.00000 -0.00007 0.00001 -0.00016
|
|
160 19G-3 0.00001 -0.00001 -0.00003 -0.00003 -0.00034
|
|
161 19G+4 -0.00003 -0.00004 0.00005 0.00000 0.00028
|
|
162 19G-4 -0.00002 0.00000 -0.00003 0.00000 0.00018
|
|
163 20G 0 0.00017 -0.00029 0.00009 0.00020 0.00183
|
|
164 20G+1 -0.00036 0.00016 0.00021 0.00006 -0.00290
|
|
165 20G-1 -0.00009 0.00080 0.00033 -0.00026 -0.00057
|
|
166 20G+2 -0.00022 -0.00060 0.00034 -0.00020 -0.00244
|
|
167 20G-2 -0.00052 0.00011 -0.00027 -0.00007 -0.00223
|
|
168 20G+3 0.00011 0.00003 -0.00020 0.00005 0.00272
|
|
169 20G-3 0.00023 0.00012 0.00032 -0.00009 0.00489
|
|
170 20G+4 -0.00015 -0.00075 0.00037 -0.00005 -0.00197
|
|
171 20G-4 -0.00112 0.00020 -0.00033 0.00032 -0.00281
|
|
172 21H 0 -0.00002 -0.00005 -0.00002 0.00003 0.00001
|
|
173 21H+1 -0.00003 0.00001 0.00002 -0.00003 -0.00060
|
|
174 21H-1 -0.00001 -0.00007 0.00004 -0.00002 -0.00016
|
|
175 21H+2 0.00002 -0.00013 -0.00007 -0.00001 0.00022
|
|
176 21H-2 0.00000 -0.00002 -0.00001 -0.00001 0.00010
|
|
177 21H+3 0.00012 0.00003 -0.00002 0.00000 0.00039
|
|
178 21H-3 0.00002 -0.00014 0.00008 0.00002 0.00046
|
|
179 21H+4 -0.00004 -0.00011 0.00002 0.00001 -0.00040
|
|
180 21H-4 -0.00006 0.00006 -0.00001 -0.00002 -0.00063
|
|
181 21H+5 0.00017 0.00003 -0.00001 -0.00007 0.00007
|
|
182 21H-5 0.00002 -0.00016 0.00006 0.00000 0.00044
|
|
183 3 H 1S 0.02121 0.00379 0.01422 0.01078 0.00280
|
|
184 2S 0.05109 0.00845 0.03787 0.02688 0.01110
|
|
185 3S 0.10442 0.01675 0.06620 0.05944 0.32823
|
|
186 4S 0.09285 0.04522 0.04833 0.06266 -0.86497
|
|
187 5S 0.00471 0.01036 -0.00852 0.00871 1.18485
|
|
188 6PX -0.00056 -0.00006 -0.00010 -0.00075 0.00394
|
|
189 6PY -0.00045 0.00062 -0.00031 0.00000 0.00068
|
|
190 6PZ -0.00071 -0.00056 -0.00072 0.00038 0.00257
|
|
191 7PX -0.00190 0.00043 -0.00055 -0.00316 -0.01910
|
|
192 7PY -0.00148 0.00236 -0.00203 -0.00038 -0.00497
|
|
193 7PZ -0.00239 -0.00215 -0.00349 0.00222 -0.01210
|
|
194 8PX -0.00811 -0.00026 0.00263 -0.01225 0.02900
|
|
195 8PY -0.00727 0.00743 -0.00119 -0.00059 0.01753
|
|
196 8PZ -0.01026 -0.00815 -0.00907 0.00574 0.01341
|
|
197 9PX -0.00802 -0.00754 0.01355 -0.01518 0.16732
|
|
198 9PY -0.00631 0.00339 0.00388 0.00109 0.11890
|
|
199 9PZ -0.00985 -0.01563 -0.00977 0.01037 0.08708
|
|
200 10D 0 0.00005 0.00026 0.00025 -0.00037 0.00015
|
|
201 10D+1 0.00045 0.00022 0.00049 0.00004 0.00057
|
|
202 10D-1 0.00017 -0.00012 0.00026 0.00005 0.00068
|
|
203 10D+2 0.00014 0.00005 0.00006 0.00038 0.00099
|
|
204 10D-2 0.00020 -0.00028 0.00029 0.00007 -0.00012
|
|
205 11D 0 0.00027 0.00105 0.00104 -0.00165 -0.00038
|
|
206 11D+1 0.00121 0.00066 0.00056 -0.00024 0.00470
|
|
207 11D-1 0.00080 -0.00030 0.00048 -0.00026 -0.00226
|
|
208 11D+2 0.00021 0.00002 -0.00072 0.00127 0.00061
|
|
209 11D-2 0.00084 -0.00098 0.00022 0.00078 0.00163
|
|
210 12D 0 0.00027 0.00209 0.00430 -0.00339 0.01883
|
|
211 12D+1 0.00302 0.00365 0.00060 -0.00009 -0.06569
|
|
212 12D-1 0.00196 0.00051 -0.00028 0.00096 -0.02268
|
|
213 12D+2 0.00023 0.00134 -0.00188 0.00355 -0.03929
|
|
214 12D-2 0.00200 -0.00006 -0.00211 0.00022 -0.05557
|
|
215 13F 0 0.00015 -0.00006 0.00004 0.00013 0.00105
|
|
216 13F+1 -0.00016 -0.00017 -0.00021 0.00021 -0.00057
|
|
217 13F-1 -0.00004 -0.00004 -0.00004 0.00007 0.00012
|
|
218 13F+2 -0.00021 -0.00006 -0.00012 -0.00012 -0.00170
|
|
219 13F-2 -0.00017 0.00009 -0.00017 -0.00003 -0.00078
|
|
220 13F+3 -0.00003 -0.00005 0.00004 -0.00015 -0.00042
|
|
221 13F-3 -0.00014 0.00011 -0.00008 -0.00013 -0.00072
|
|
222 14F 0 0.00032 0.00010 -0.00049 0.00050 -0.00994
|
|
223 14F+1 -0.00028 -0.00062 -0.00071 0.00077 0.00201
|
|
224 14F-1 -0.00013 -0.00020 -0.00036 -0.00003 -0.00011
|
|
225 14F+2 -0.00024 -0.00043 0.00030 -0.00004 0.01247
|
|
226 14F-2 -0.00055 -0.00028 0.00028 -0.00014 0.01081
|
|
227 14F+3 0.00004 -0.00009 0.00034 -0.00048 0.00339
|
|
228 14F-3 -0.00021 -0.00019 0.00041 -0.00030 0.01087
|
|
229 15G 0 -0.00008 -0.00007 -0.00004 0.00002 0.00018
|
|
230 15G+1 -0.00004 0.00004 0.00009 -0.00011 0.00050
|
|
231 15G-1 -0.00002 0.00003 0.00002 -0.00003 0.00018
|
|
232 15G+2 0.00007 0.00007 0.00005 -0.00007 -0.00014
|
|
233 15G-2 0.00005 0.00004 0.00005 -0.00002 -0.00018
|
|
234 15G+3 0.00001 0.00006 -0.00002 0.00005 -0.00017
|
|
235 15G-3 0.00008 0.00002 0.00001 0.00003 -0.00079
|
|
236 15G+4 -0.00002 0.00002 -0.00003 0.00005 0.00013
|
|
237 15G-4 0.00004 0.00003 -0.00003 0.00006 -0.00056
|
|
238 4 H 1S -0.02121 0.00379 0.01422 -0.01078 0.00280
|
|
239 2S -0.05109 0.00845 0.03787 -0.02688 0.01110
|
|
240 3S -0.10442 0.01675 0.06620 -0.05944 0.32823
|
|
241 4S -0.09285 0.04522 0.04833 -0.06266 -0.86497
|
|
242 5S -0.00471 0.01036 -0.00852 -0.00871 1.18485
|
|
243 6PX -0.00056 0.00006 0.00010 -0.00075 -0.00394
|
|
244 6PY -0.00045 -0.00062 0.00031 0.00000 -0.00068
|
|
245 6PZ 0.00071 -0.00056 -0.00072 -0.00038 0.00257
|
|
246 7PX -0.00190 -0.00043 0.00055 -0.00316 0.01910
|
|
247 7PY -0.00148 -0.00236 0.00203 -0.00038 0.00497
|
|
248 7PZ 0.00239 -0.00215 -0.00349 -0.00222 -0.01210
|
|
249 8PX -0.00811 0.00026 -0.00263 -0.01225 -0.02900
|
|
250 8PY -0.00727 -0.00743 0.00119 -0.00059 -0.01753
|
|
251 8PZ 0.01026 -0.00815 -0.00907 -0.00574 0.01341
|
|
252 9PX -0.00802 0.00754 -0.01355 -0.01518 -0.16732
|
|
253 9PY -0.00631 -0.00339 -0.00388 0.00109 -0.11890
|
|
254 9PZ 0.00985 -0.01563 -0.00977 -0.01037 0.08708
|
|
255 10D 0 -0.00005 0.00026 0.00025 0.00037 0.00015
|
|
256 10D+1 0.00045 -0.00022 -0.00049 0.00004 -0.00057
|
|
257 10D-1 0.00017 0.00012 -0.00026 0.00005 -0.00068
|
|
258 10D+2 -0.00014 0.00005 0.00006 -0.00038 0.00099
|
|
259 10D-2 -0.00020 -0.00028 0.00029 -0.00007 -0.00012
|
|
260 11D 0 -0.00027 0.00105 0.00104 0.00165 -0.00038
|
|
261 11D+1 0.00121 -0.00066 -0.00056 -0.00024 -0.00470
|
|
262 11D-1 0.00080 0.00030 -0.00048 -0.00026 0.00226
|
|
263 11D+2 -0.00021 0.00002 -0.00072 -0.00127 0.00061
|
|
264 11D-2 -0.00084 -0.00098 0.00022 -0.00078 0.00163
|
|
265 12D 0 -0.00027 0.00209 0.00430 0.00339 0.01883
|
|
266 12D+1 0.00302 -0.00365 -0.00060 -0.00009 0.06569
|
|
267 12D-1 0.00196 -0.00051 0.00028 0.00096 0.02268
|
|
268 12D+2 -0.00023 0.00134 -0.00188 -0.00355 -0.03929
|
|
269 12D-2 -0.00200 -0.00006 -0.00211 -0.00022 -0.05557
|
|
270 13F 0 -0.00015 -0.00006 0.00004 -0.00013 0.00105
|
|
271 13F+1 -0.00016 0.00017 0.00021 0.00021 0.00057
|
|
272 13F-1 -0.00004 0.00004 0.00004 0.00007 -0.00012
|
|
273 13F+2 0.00021 -0.00006 -0.00012 0.00012 -0.00170
|
|
274 13F-2 0.00017 0.00009 -0.00017 0.00003 -0.00078
|
|
275 13F+3 -0.00003 0.00005 -0.00004 -0.00015 0.00042
|
|
276 13F-3 -0.00014 -0.00011 0.00008 -0.00013 0.00072
|
|
277 14F 0 -0.00032 0.00010 -0.00049 -0.00050 -0.00994
|
|
278 14F+1 -0.00028 0.00062 0.00071 0.00077 -0.00201
|
|
279 14F-1 -0.00013 0.00020 0.00036 -0.00003 0.00011
|
|
280 14F+2 0.00024 -0.00043 0.00030 0.00004 0.01247
|
|
281 14F-2 0.00055 -0.00028 0.00028 0.00014 0.01081
|
|
282 14F+3 0.00004 0.00009 -0.00034 -0.00048 -0.00339
|
|
283 14F-3 -0.00021 0.00019 -0.00041 -0.00030 -0.01087
|
|
284 15G 0 0.00008 -0.00007 -0.00004 -0.00002 0.00018
|
|
285 15G+1 -0.00004 -0.00004 -0.00009 -0.00011 -0.00050
|
|
286 15G-1 -0.00002 -0.00003 -0.00002 -0.00003 -0.00018
|
|
287 15G+2 -0.00007 0.00007 0.00005 0.00007 -0.00014
|
|
288 15G-2 -0.00005 0.00004 0.00005 0.00002 -0.00018
|
|
289 15G+3 0.00001 -0.00006 0.00002 0.00005 0.00017
|
|
290 15G-3 0.00008 -0.00002 -0.00001 0.00003 0.00079
|
|
291 15G+4 0.00002 0.00002 -0.00003 -0.00005 0.00013
|
|
292 15G-4 -0.00004 0.00003 -0.00003 -0.00006 -0.00056
|
|
11 12 13 14 15
|
|
V V V V V
|
|
Eigenvalues -- 0.10799 0.21724 0.30707 0.33880 0.35592
|
|
1 1 O 1S 0.01841 -0.03057 0.01404 0.00336 0.00760
|
|
2 2S -0.03247 0.05839 -0.02172 -0.00235 -0.01912
|
|
3 3S -0.00069 0.01748 0.01157 0.02035 -0.02210
|
|
4 4S -0.02799 -0.01071 0.10004 -0.23863 0.08473
|
|
5 5S -0.18064 0.33107 -1.52543 0.87442 -0.51753
|
|
6 6S -0.61418 3.74230 -6.03704 6.14402 -1.45149
|
|
7 7PX -0.01873 -0.01428 -0.00179 -0.00223 -0.01463
|
|
8 7PY 0.01633 -0.05964 -0.00418 0.05260 0.01587
|
|
9 7PZ -0.01044 -0.00255 0.02431 0.01391 -0.02224
|
|
10 8PX -0.01948 -0.03697 0.03751 -0.04212 -0.02101
|
|
11 8PY 0.03266 -0.10645 -0.00827 0.09050 0.02279
|
|
12 8PZ -0.01174 -0.00773 0.08355 0.00466 -0.05086
|
|
13 9PX -0.09656 0.03824 -0.30901 0.18418 -0.05700
|
|
14 9PY 0.01854 -0.07128 -0.04462 0.20967 0.08264
|
|
15 9PZ -0.05239 0.02942 -0.17584 0.14814 -0.02507
|
|
16 10PX -0.12399 0.13970 -2.00781 1.22946 -0.34374
|
|
17 10PY 0.18222 -1.02927 -0.27228 -0.18441 0.29531
|
|
18 10PZ -0.13366 0.18297 -0.91976 1.13062 -0.53204
|
|
19 11PX -0.30481 0.13071 -2.01776 1.70716 -1.14352
|
|
20 11PY -0.25621 -1.85276 0.21783 -0.36773 -1.06072
|
|
21 11PZ -0.11721 0.03354 -1.71078 1.08880 -0.04634
|
|
22 12D 0 0.00009 0.00054 -0.00018 0.00056 0.00002
|
|
23 12D+1 0.00004 -0.00074 0.00130 -0.00180 -0.00013
|
|
24 12D-1 0.00019 0.00025 -0.00079 0.00015 0.00206
|
|
25 12D+2 0.00038 -0.00013 -0.00088 -0.00123 0.00221
|
|
26 12D-2 0.00048 0.00081 0.00058 0.00042 0.00052
|
|
27 13D 0 -0.00149 0.00166 -0.00064 -0.00444 0.00147
|
|
28 13D+1 0.00153 0.00167 0.00135 -0.00268 0.00230
|
|
29 13D-1 -0.00002 -0.00356 0.00156 -0.00036 -0.00841
|
|
30 13D+2 -0.00299 0.00642 0.01185 -0.00159 -0.00405
|
|
31 13D-2 0.00009 -0.00593 -0.00244 -0.00109 -0.00453
|
|
32 14D 0 0.00011 0.00645 0.02102 0.01801 0.00241
|
|
33 14D+1 -0.02703 0.02387 -0.14465 0.08800 -0.00700
|
|
34 14D-1 -0.00206 0.02102 -0.03359 0.02452 0.04956
|
|
35 14D+2 -0.01206 0.01613 -0.15289 0.04877 0.05659
|
|
36 14D-2 0.00292 0.03444 -0.02588 0.03154 0.03760
|
|
37 15D 0 0.00794 -0.28086 0.11905 -0.15192 -0.08203
|
|
38 15D+1 -0.06508 0.06935 -0.58406 0.58801 -0.19966
|
|
39 15D-1 0.00506 0.01088 0.05557 0.07362 -0.04576
|
|
40 15D+2 -0.02808 -0.43158 -0.40399 0.07117 -0.27872
|
|
41 15D-2 -0.00464 0.03757 -0.01137 0.08388 -0.03020
|
|
42 16F 0 0.00008 0.00029 0.00000 -0.00004 0.00020
|
|
43 16F+1 0.00029 -0.00037 -0.00068 -0.00104 0.00067
|
|
44 16F-1 0.00003 0.00082 -0.00053 0.00013 0.00181
|
|
45 16F+2 0.00044 -0.00038 0.00146 -0.00063 -0.00103
|
|
46 16F-2 0.00009 -0.00100 0.00024 -0.00058 -0.00163
|
|
47 16F+3 0.00026 0.00017 0.00113 -0.00049 -0.00022
|
|
48 16F-3 0.00010 0.00045 0.00047 0.00014 0.00006
|
|
49 17F 0 0.00101 -0.00200 0.00595 -0.00307 -0.00126
|
|
50 17F+1 -0.00213 0.00309 0.00043 0.00795 -0.00327
|
|
51 17F-1 0.00002 -0.00480 0.00221 -0.00116 -0.01049
|
|
52 17F+2 -0.00440 0.00442 -0.01886 0.00841 0.00660
|
|
53 17F-2 -0.00103 0.00482 -0.00546 0.00639 0.00920
|
|
54 17F+3 -0.00177 0.00149 -0.01209 0.00480 0.00261
|
|
55 17F-3 -0.00067 -0.00341 -0.00626 0.00050 -0.00180
|
|
56 18F 0 0.01164 -0.01107 0.07328 -0.04939 -0.00351
|
|
57 18F+1 -0.01185 0.00287 -0.00755 0.06162 -0.03619
|
|
58 18F-1 -0.00729 0.06914 0.00708 0.05239 0.03252
|
|
59 18F+2 -0.01966 -0.00550 -0.09879 0.08886 -0.04781
|
|
60 18F-2 -0.00199 0.01879 0.01894 0.02651 0.02316
|
|
61 18F+3 -0.01003 -0.00367 -0.07219 0.03303 -0.05471
|
|
62 18F-3 -0.00468 0.09807 -0.00683 0.05573 0.05244
|
|
63 19G 0 0.00013 -0.00067 0.00050 -0.00006 -0.00104
|
|
64 19G+1 0.00017 -0.00009 -0.00041 -0.00013 0.00022
|
|
65 19G-1 0.00008 -0.00024 0.00026 -0.00013 -0.00007
|
|
66 19G+2 0.00006 -0.00072 -0.00042 -0.00092 -0.00005
|
|
67 19G-2 -0.00008 -0.00014 -0.00094 -0.00022 -0.00030
|
|
68 19G+3 -0.00001 0.00043 -0.00081 -0.00027 0.00088
|
|
69 19G-3 -0.00037 -0.00045 -0.00118 0.00023 -0.00020
|
|
70 19G+4 0.00002 -0.00079 0.00014 -0.00012 -0.00008
|
|
71 19G-4 -0.00019 -0.00002 -0.00043 0.00041 -0.00100
|
|
72 20G 0 0.00190 0.00254 0.00139 -0.00548 0.00492
|
|
73 20G+1 0.00024 -0.00029 0.01276 0.00055 -0.00648
|
|
74 20G-1 -0.00030 0.00074 0.00107 0.00060 -0.00341
|
|
75 20G+2 -0.00383 0.00628 -0.00172 0.01529 -0.00331
|
|
76 20G-2 -0.00072 0.00273 0.00597 0.00440 0.00435
|
|
77 20G+3 -0.00419 -0.00209 -0.00834 0.00859 -0.00652
|
|
78 20G-3 0.00055 0.00667 0.00316 0.00213 0.00929
|
|
79 20G+4 -0.00226 0.00475 -0.00883 0.00482 -0.00322
|
|
80 20G-4 -0.00025 0.00218 -0.00130 -0.00104 0.01268
|
|
81 21H 0 0.00017 0.00004 -0.00102 -0.00067 0.00080
|
|
82 21H+1 0.00046 -0.00019 0.00053 -0.00067 -0.00036
|
|
83 21H-1 0.00009 -0.00064 0.00016 -0.00044 -0.00088
|
|
84 21H+2 -0.00008 0.00025 0.00115 0.00070 -0.00101
|
|
85 21H-2 -0.00009 -0.00007 0.00047 0.00026 -0.00066
|
|
86 21H+3 -0.00062 -0.00014 0.00005 0.00093 -0.00053
|
|
87 21H-3 -0.00013 0.00016 0.00088 0.00006 0.00069
|
|
88 21H+4 -0.00054 -0.00035 -0.00085 0.00002 -0.00123
|
|
89 21H-4 -0.00014 0.00065 -0.00022 -0.00021 0.00183
|
|
90 21H+5 -0.00034 -0.00041 -0.00042 -0.00006 -0.00013
|
|
91 21H-5 -0.00001 -0.00027 0.00018 -0.00054 0.00067
|
|
92 2 O 1S -0.01841 0.03057 0.01404 -0.00336 0.00760
|
|
93 2S 0.03247 -0.05839 -0.02172 0.00235 -0.01912
|
|
94 3S 0.00069 -0.01748 0.01157 -0.02035 -0.02210
|
|
95 4S 0.02799 0.01071 0.10004 0.23863 0.08473
|
|
96 5S 0.18064 -0.33107 -1.52543 -0.87442 -0.51753
|
|
97 6S 0.61418 -3.74230 -6.03704 -6.14402 -1.45149
|
|
98 7PX -0.01873 -0.01428 0.00179 -0.00223 0.01463
|
|
99 7PY 0.01633 -0.05964 0.00418 0.05260 -0.01587
|
|
100 7PZ 0.01044 0.00255 0.02431 -0.01391 -0.02224
|
|
101 8PX -0.01948 -0.03697 -0.03751 -0.04212 0.02101
|
|
102 8PY 0.03266 -0.10645 0.00827 0.09050 -0.02279
|
|
103 8PZ 0.01174 0.00773 0.08355 -0.00466 -0.05086
|
|
104 9PX -0.09656 0.03824 0.30901 0.18418 0.05700
|
|
105 9PY 0.01854 -0.07128 0.04462 0.20967 -0.08264
|
|
106 9PZ 0.05239 -0.02942 -0.17584 -0.14814 -0.02507
|
|
107 10PX -0.12399 0.13970 2.00781 1.22946 0.34374
|
|
108 10PY 0.18222 -1.02927 0.27228 -0.18441 -0.29531
|
|
109 10PZ 0.13366 -0.18297 -0.91976 -1.13062 -0.53204
|
|
110 11PX -0.30481 0.13071 2.01776 1.70716 1.14352
|
|
111 11PY -0.25621 -1.85276 -0.21783 -0.36773 1.06072
|
|
112 11PZ 0.11721 -0.03354 -1.71078 -1.08880 -0.04634
|
|
113 12D 0 -0.00009 -0.00054 -0.00018 -0.00056 0.00002
|
|
114 12D+1 0.00004 -0.00074 -0.00130 -0.00180 0.00013
|
|
115 12D-1 0.00019 0.00025 0.00079 0.00015 -0.00206
|
|
116 12D+2 -0.00038 0.00013 -0.00088 0.00123 0.00221
|
|
117 12D-2 -0.00048 -0.00081 0.00058 -0.00042 0.00052
|
|
118 13D 0 0.00149 -0.00166 -0.00064 0.00444 0.00147
|
|
119 13D+1 0.00153 0.00167 -0.00135 -0.00268 -0.00230
|
|
120 13D-1 -0.00002 -0.00356 -0.00156 -0.00036 0.00841
|
|
121 13D+2 0.00299 -0.00642 0.01185 0.00159 -0.00405
|
|
122 13D-2 -0.00009 0.00593 -0.00244 0.00109 -0.00453
|
|
123 14D 0 -0.00011 -0.00645 0.02102 -0.01801 0.00241
|
|
124 14D+1 -0.02703 0.02387 0.14465 0.08800 0.00700
|
|
125 14D-1 -0.00206 0.02102 0.03359 0.02452 -0.04956
|
|
126 14D+2 0.01206 -0.01613 -0.15289 -0.04877 0.05659
|
|
127 14D-2 -0.00292 -0.03444 -0.02588 -0.03154 0.03760
|
|
128 15D 0 -0.00794 0.28086 0.11905 0.15192 -0.08203
|
|
129 15D+1 -0.06508 0.06935 0.58406 0.58801 0.19966
|
|
130 15D-1 0.00506 0.01088 -0.05557 0.07362 0.04576
|
|
131 15D+2 0.02808 0.43158 -0.40399 -0.07117 -0.27872
|
|
132 15D-2 0.00464 -0.03757 -0.01137 -0.08388 -0.03020
|
|
133 16F 0 -0.00008 -0.00029 0.00000 0.00004 0.00020
|
|
134 16F+1 0.00029 -0.00037 0.00068 -0.00104 -0.00067
|
|
135 16F-1 0.00003 0.00082 0.00053 0.00013 -0.00181
|
|
136 16F+2 -0.00044 0.00038 0.00146 0.00063 -0.00103
|
|
137 16F-2 -0.00009 0.00100 0.00024 0.00058 -0.00163
|
|
138 16F+3 0.00026 0.00017 -0.00113 -0.00049 0.00022
|
|
139 16F-3 0.00010 0.00045 -0.00047 0.00014 -0.00006
|
|
140 17F 0 -0.00101 0.00200 0.00595 0.00307 -0.00126
|
|
141 17F+1 -0.00213 0.00309 -0.00043 0.00795 0.00327
|
|
142 17F-1 0.00002 -0.00480 -0.00221 -0.00116 0.01049
|
|
143 17F+2 0.00440 -0.00442 -0.01886 -0.00841 0.00660
|
|
144 17F-2 0.00103 -0.00482 -0.00546 -0.00639 0.00920
|
|
145 17F+3 -0.00177 0.00149 0.01209 0.00480 -0.00261
|
|
146 17F-3 -0.00067 -0.00341 0.00626 0.00050 0.00180
|
|
147 18F 0 -0.01164 0.01107 0.07328 0.04939 -0.00351
|
|
148 18F+1 -0.01185 0.00287 0.00755 0.06162 0.03619
|
|
149 18F-1 -0.00729 0.06914 -0.00708 0.05239 -0.03252
|
|
150 18F+2 0.01966 0.00550 -0.09879 -0.08886 -0.04781
|
|
151 18F-2 0.00199 -0.01879 0.01894 -0.02651 0.02316
|
|
152 18F+3 -0.01003 -0.00367 0.07219 0.03303 0.05471
|
|
153 18F-3 -0.00468 0.09807 0.00683 0.05573 -0.05244
|
|
154 19G 0 -0.00013 0.00067 0.00050 0.00006 -0.00104
|
|
155 19G+1 0.00017 -0.00009 0.00041 -0.00013 -0.00022
|
|
156 19G-1 0.00008 -0.00024 -0.00026 -0.00013 0.00007
|
|
157 19G+2 -0.00006 0.00072 -0.00042 0.00092 -0.00005
|
|
158 19G-2 0.00008 0.00014 -0.00094 0.00022 -0.00030
|
|
159 19G+3 -0.00001 0.00043 0.00081 -0.00027 -0.00088
|
|
160 19G-3 -0.00037 -0.00045 0.00118 0.00023 0.00020
|
|
161 19G+4 -0.00002 0.00079 0.00014 0.00012 -0.00008
|
|
162 19G-4 0.00019 0.00002 -0.00043 -0.00041 -0.00100
|
|
163 20G 0 -0.00190 -0.00254 0.00139 0.00548 0.00492
|
|
164 20G+1 0.00024 -0.00029 -0.01276 0.00055 0.00648
|
|
165 20G-1 -0.00030 0.00074 -0.00107 0.00060 0.00341
|
|
166 20G+2 0.00383 -0.00628 -0.00172 -0.01529 -0.00331
|
|
167 20G-2 0.00072 -0.00273 0.00597 -0.00440 0.00435
|
|
168 20G+3 -0.00419 -0.00209 0.00834 0.00859 0.00652
|
|
169 20G-3 0.00055 0.00667 -0.00316 0.00213 -0.00929
|
|
170 20G+4 0.00226 -0.00475 -0.00883 -0.00482 -0.00322
|
|
171 20G-4 0.00025 -0.00218 -0.00130 0.00104 0.01268
|
|
172 21H 0 -0.00017 -0.00004 -0.00102 0.00067 0.00080
|
|
173 21H+1 0.00046 -0.00019 -0.00053 -0.00067 0.00036
|
|
174 21H-1 0.00009 -0.00064 -0.00016 -0.00044 0.00088
|
|
175 21H+2 0.00008 -0.00025 0.00115 -0.00070 -0.00101
|
|
176 21H-2 0.00009 0.00007 0.00047 -0.00026 -0.00066
|
|
177 21H+3 -0.00062 -0.00014 -0.00005 0.00093 0.00053
|
|
178 21H-3 -0.00013 0.00016 -0.00088 0.00006 -0.00069
|
|
179 21H+4 0.00054 0.00035 -0.00085 -0.00002 -0.00123
|
|
180 21H-4 0.00014 -0.00065 -0.00022 0.00021 0.00183
|
|
181 21H+5 -0.00034 -0.00041 0.00042 -0.00006 0.00013
|
|
182 21H-5 -0.00001 -0.00027 -0.00018 -0.00054 -0.00067
|
|
183 3 H 1S 0.00412 0.00013 0.00511 -0.00901 0.00893
|
|
184 2S -0.02662 0.01993 -0.13944 0.04988 0.05332
|
|
185 3S 0.39445 -0.24832 1.95637 -1.65063 0.34132
|
|
186 4S -0.16707 -0.93188 6.91047 -4.92443 2.20307
|
|
187 5S 1.70674 1.05953 -0.44344 0.10841 -0.57460
|
|
188 6PX 0.00390 0.00035 -0.00079 0.00150 -0.00519
|
|
189 6PY 0.00064 -0.00064 -0.00077 0.00106 -0.00111
|
|
190 6PZ 0.00293 -0.00016 -0.00158 0.00039 -0.00174
|
|
191 7PX -0.01137 -0.00403 0.02658 -0.02395 0.03495
|
|
192 7PY 0.00250 -0.00200 0.01155 -0.00607 0.00974
|
|
193 7PZ -0.00987 -0.00007 0.02635 -0.01059 0.01142
|
|
194 8PX -0.04508 0.14251 -0.65446 0.57700 -0.15773
|
|
195 8PY -0.03600 -0.03270 -0.24754 0.16664 -0.16722
|
|
196 8PZ -0.01301 0.07807 -0.55613 0.29867 -0.02433
|
|
197 9PX -0.09230 0.22461 -2.06979 1.25373 -0.17192
|
|
198 9PY -0.00781 0.01958 -1.04695 0.47648 0.04920
|
|
199 9PZ -0.06698 0.16941 -1.35828 0.74835 -0.23325
|
|
200 10D 0 0.00033 -0.00103 -0.00267 -0.00227 0.00335
|
|
201 10D+1 -0.00077 0.00151 -0.00527 0.00213 0.00083
|
|
202 10D-1 -0.00080 -0.00075 -0.00317 -0.00082 -0.00148
|
|
203 10D+2 -0.00089 0.00037 -0.00268 0.00155 0.00199
|
|
204 10D-2 -0.00108 -0.00052 0.00216 0.00165 -0.00433
|
|
205 11D 0 -0.00378 0.00533 0.01599 0.01859 -0.02177
|
|
206 11D+1 0.01410 -0.01928 0.07726 -0.04499 -0.01623
|
|
207 11D-1 0.00695 0.00557 0.03057 -0.00698 0.01293
|
|
208 11D+2 0.01188 -0.01372 0.04238 -0.03730 -0.01806
|
|
209 11D-2 0.01040 0.00557 0.01156 -0.02545 0.03049
|
|
210 12D 0 -0.00967 0.00197 -0.02207 0.07463 0.01274
|
|
211 12D+1 -0.00249 -0.06380 0.36657 -0.16646 0.01640
|
|
212 12D-1 0.00344 0.01112 0.14997 -0.07804 0.05108
|
|
213 12D+2 -0.00232 -0.05929 0.15199 -0.14383 0.06514
|
|
214 12D-2 0.00979 0.02013 0.29205 -0.10594 0.06487
|
|
215 13F 0 0.00112 0.00025 0.00202 -0.00195 0.00059
|
|
216 13F+1 -0.00022 0.00018 -0.00281 0.00111 0.00202
|
|
217 13F-1 0.00013 -0.00041 -0.00099 0.00024 0.00086
|
|
218 13F+2 -0.00117 0.00091 -0.00419 0.00375 0.00130
|
|
219 13F-2 -0.00120 0.00028 -0.00237 0.00233 -0.00001
|
|
220 13F+3 -0.00044 0.00153 -0.00332 0.00300 0.00217
|
|
221 13F-3 -0.00075 -0.00020 -0.00094 0.00217 -0.00033
|
|
222 14F 0 0.00188 -0.00902 0.02984 -0.02344 -0.00145
|
|
223 14F+1 0.00180 0.00315 -0.03134 -0.01241 0.00999
|
|
224 14F-1 -0.00083 0.00035 -0.00764 -0.00241 -0.00607
|
|
225 14F+2 -0.00177 0.01536 -0.04143 0.01660 0.01010
|
|
226 14F-2 -0.00220 -0.00598 -0.04410 0.01422 -0.02026
|
|
227 14F+3 -0.00178 0.00993 0.00149 0.00876 0.00091
|
|
228 14F-3 -0.00397 -0.00299 -0.03745 0.01559 -0.02286
|
|
229 15G 0 -0.00018 0.00012 -0.00286 0.00040 0.00051
|
|
230 15G+1 -0.00049 0.00028 -0.00087 0.00239 -0.00090
|
|
231 15G-1 -0.00015 0.00002 -0.00075 0.00079 -0.00022
|
|
232 15G+2 0.00004 -0.00039 0.00315 0.00015 -0.00159
|
|
233 15G-2 0.00014 0.00018 0.00224 -0.00008 0.00043
|
|
234 15G+3 0.00033 -0.00135 0.00154 -0.00124 -0.00150
|
|
235 15G-3 0.00059 0.00023 0.00415 -0.00180 0.00145
|
|
236 15G+4 0.00010 -0.00113 -0.00078 -0.00075 -0.00124
|
|
237 15G-4 0.00045 0.00016 0.00209 -0.00131 0.00159
|
|
238 4 H 1S -0.00412 -0.00013 0.00511 0.00901 0.00893
|
|
239 2S 0.02662 -0.01993 -0.13944 -0.04988 0.05332
|
|
240 3S -0.39445 0.24832 1.95637 1.65063 0.34132
|
|
241 4S 0.16707 0.93188 6.91047 4.92443 2.20307
|
|
242 5S -1.70674 -1.05953 -0.44344 -0.10841 -0.57460
|
|
243 6PX 0.00390 0.00035 0.00079 0.00150 0.00519
|
|
244 6PY 0.00064 -0.00064 0.00077 0.00106 0.00111
|
|
245 6PZ -0.00293 0.00016 -0.00158 -0.00039 -0.00174
|
|
246 7PX -0.01137 -0.00403 -0.02658 -0.02395 -0.03495
|
|
247 7PY 0.00250 -0.00200 -0.01155 -0.00607 -0.00974
|
|
248 7PZ 0.00987 0.00007 0.02635 0.01059 0.01142
|
|
249 8PX -0.04508 0.14251 0.65446 0.57700 0.15773
|
|
250 8PY -0.03600 -0.03270 0.24754 0.16664 0.16722
|
|
251 8PZ 0.01301 -0.07807 -0.55613 -0.29867 -0.02433
|
|
252 9PX -0.09230 0.22461 2.06979 1.25373 0.17192
|
|
253 9PY -0.00781 0.01958 1.04695 0.47648 -0.04920
|
|
254 9PZ 0.06698 -0.16941 -1.35828 -0.74835 -0.23325
|
|
255 10D 0 -0.00033 0.00103 -0.00267 0.00227 0.00335
|
|
256 10D+1 -0.00077 0.00151 0.00527 0.00213 -0.00083
|
|
257 10D-1 -0.00080 -0.00075 0.00317 -0.00082 0.00148
|
|
258 10D+2 0.00089 -0.00037 -0.00268 -0.00155 0.00199
|
|
259 10D-2 0.00108 0.00052 0.00216 -0.00165 -0.00433
|
|
260 11D 0 0.00378 -0.00533 0.01599 -0.01859 -0.02177
|
|
261 11D+1 0.01410 -0.01928 -0.07726 -0.04499 0.01623
|
|
262 11D-1 0.00695 0.00557 -0.03057 -0.00698 -0.01293
|
|
263 11D+2 -0.01188 0.01372 0.04238 0.03730 -0.01806
|
|
264 11D-2 -0.01040 -0.00557 0.01156 0.02545 0.03049
|
|
265 12D 0 0.00967 -0.00197 -0.02207 -0.07463 0.01274
|
|
266 12D+1 -0.00249 -0.06380 -0.36657 -0.16646 -0.01640
|
|
267 12D-1 0.00344 0.01112 -0.14997 -0.07804 -0.05108
|
|
268 12D+2 0.00232 0.05929 0.15199 0.14383 0.06514
|
|
269 12D-2 -0.00979 -0.02013 0.29205 0.10594 0.06487
|
|
270 13F 0 -0.00112 -0.00025 0.00202 0.00195 0.00059
|
|
271 13F+1 -0.00022 0.00018 0.00281 0.00111 -0.00202
|
|
272 13F-1 0.00013 -0.00041 0.00099 0.00024 -0.00086
|
|
273 13F+2 0.00117 -0.00091 -0.00419 -0.00375 0.00130
|
|
274 13F-2 0.00120 -0.00028 -0.00237 -0.00233 -0.00001
|
|
275 13F+3 -0.00044 0.00153 0.00332 0.00300 -0.00217
|
|
276 13F-3 -0.00075 -0.00020 0.00094 0.00217 0.00033
|
|
277 14F 0 -0.00188 0.00902 0.02984 0.02344 -0.00145
|
|
278 14F+1 0.00180 0.00315 0.03134 -0.01241 -0.00999
|
|
279 14F-1 -0.00083 0.00035 0.00764 -0.00241 0.00607
|
|
280 14F+2 0.00177 -0.01536 -0.04143 -0.01660 0.01010
|
|
281 14F-2 0.00220 0.00598 -0.04410 -0.01422 -0.02026
|
|
282 14F+3 -0.00178 0.00993 -0.00149 0.00876 -0.00091
|
|
283 14F-3 -0.00397 -0.00299 0.03745 0.01559 0.02286
|
|
284 15G 0 0.00018 -0.00012 -0.00286 -0.00040 0.00051
|
|
285 15G+1 -0.00049 0.00028 0.00087 0.00239 0.00090
|
|
286 15G-1 -0.00015 0.00002 0.00075 0.00079 0.00022
|
|
287 15G+2 -0.00004 0.00039 0.00315 -0.00015 -0.00159
|
|
288 15G-2 -0.00014 -0.00018 0.00224 0.00008 0.00043
|
|
289 15G+3 0.00033 -0.00135 -0.00154 -0.00124 0.00150
|
|
290 15G-3 0.00059 0.00023 -0.00415 -0.00180 -0.00145
|
|
291 15G+4 -0.00010 0.00113 -0.00078 0.00075 -0.00124
|
|
292 15G-4 -0.00045 -0.00016 0.00209 0.00131 0.00159
|
|
16 17 18 19 20
|
|
V V V V V
|
|
Eigenvalues -- 0.37912 0.40379 0.41720 0.44043 0.47446
|
|
1 1 O 1S 0.02086 0.00071 0.00231 0.01591 -0.00181
|
|
2 2S -0.03863 -0.00482 -0.00318 -0.02993 0.00769
|
|
3 3S -0.00208 -0.01304 0.00596 0.00218 0.01461
|
|
4 4S -0.10996 -0.00188 -0.02347 -0.19187 0.08800
|
|
5 5S -0.17652 0.22466 -0.33907 0.52881 -1.06767
|
|
6 6S 1.05872 1.19416 1.80196 0.71801 -1.03011
|
|
7 7PX -0.02954 -0.04257 0.01212 -0.01705 0.03043
|
|
8 7PY 0.05138 -0.00121 0.01671 -0.02413 0.05306
|
|
9 7PZ -0.01373 0.00768 -0.03449 -0.01944 0.01808
|
|
10 8PX -0.07762 -0.10875 0.03690 -0.04860 0.09591
|
|
11 8PY 0.08627 0.01520 0.03171 -0.05282 0.09925
|
|
12 8PZ -0.02515 0.02153 -0.08901 -0.06984 0.06521
|
|
13 9PX 0.03654 0.02118 -0.02641 0.04228 -0.11504
|
|
14 9PY 0.21987 -0.04642 0.08251 -0.04638 0.18007
|
|
15 9PZ -0.00489 0.03294 -0.03187 0.06490 -0.09843
|
|
16 10PX -0.58051 -0.20985 0.19098 0.44895 -1.17435
|
|
17 10PY -0.72213 0.01712 -0.75149 -0.32221 -1.09458
|
|
18 10PZ -0.19328 0.61464 -0.75983 0.19352 -0.92207
|
|
19 11PX -0.14500 1.55179 -0.28570 -0.61391 -1.59407
|
|
20 11PY -1.08796 -0.21637 -0.87106 1.16762 -2.21717
|
|
21 11PZ -0.67873 -0.06385 1.48840 0.11212 -1.27890
|
|
22 12D 0 0.00034 0.00256 -0.00261 -0.00213 -0.00040
|
|
23 12D+1 -0.00055 -0.00042 -0.00205 0.00086 0.00061
|
|
24 12D-1 0.00035 0.00016 0.00190 -0.00193 0.00054
|
|
25 12D+2 -0.00163 -0.00163 0.00036 -0.00118 -0.00054
|
|
26 12D-2 0.00123 0.00120 -0.00001 -0.00082 0.00146
|
|
27 13D 0 -0.00358 -0.01307 0.01312 0.00496 0.00186
|
|
28 13D+1 0.00583 -0.00051 0.00945 -0.00610 0.00475
|
|
29 13D-1 -0.00152 -0.00071 -0.00443 0.01073 -0.00213
|
|
30 13D+2 0.00479 0.00762 -0.00326 0.00075 0.00434
|
|
31 13D-2 -0.00204 -0.00194 0.00050 0.00337 -0.00774
|
|
32 14D 0 0.00563 0.06808 -0.07485 -0.04484 -0.01409
|
|
33 14D+1 0.02608 0.05082 -0.06165 0.08673 -0.11651
|
|
34 14D-1 0.02676 0.00728 0.01365 -0.02861 -0.00101
|
|
35 14D+2 -0.01016 -0.01785 0.02109 0.02284 -0.09448
|
|
36 14D-2 0.04665 0.01214 -0.00839 -0.00656 0.01253
|
|
37 15D 0 -0.29712 0.08338 -0.26445 0.13645 -0.39900
|
|
38 15D+1 -0.11456 0.19796 -0.04650 0.28491 -0.62099
|
|
39 15D-1 -0.00703 -0.03686 -0.16827 0.12291 -0.05280
|
|
40 15D+2 -0.57164 0.07922 -0.28754 0.30240 -1.04139
|
|
41 15D-2 0.00954 -0.19049 -0.02761 0.11891 -0.07352
|
|
42 16F 0 0.00042 -0.00007 0.00008 0.00100 0.00004
|
|
43 16F+1 -0.00105 -0.00204 0.00249 0.00046 0.00048
|
|
44 16F-1 0.00051 -0.00041 0.00110 -0.00166 0.00105
|
|
45 16F+2 -0.00076 0.00042 -0.00063 -0.00059 0.00088
|
|
46 16F-2 -0.00141 -0.00052 0.00054 0.00043 -0.00055
|
|
47 16F+3 -0.00008 -0.00012 -0.00023 -0.00098 0.00077
|
|
48 16F-3 0.00000 0.00025 0.00041 -0.00091 0.00105
|
|
49 17F 0 -0.00399 -0.00087 -0.00030 -0.00718 0.00355
|
|
50 17F+1 0.00697 0.01333 -0.01508 -0.00069 -0.00611
|
|
51 17F-1 -0.00308 0.00314 -0.00696 0.00989 -0.00747
|
|
52 17F+2 0.00719 0.00094 0.00230 0.00873 -0.01172
|
|
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286 15G-1 -0.00001 -0.00103 -0.00050 -0.00006 -0.00088
|
|
287 15G+2 0.00061 0.00194 0.00234 -0.00038 -0.00030
|
|
288 15G-2 -0.00027 0.00069 0.00188 -0.00088 -0.00078
|
|
289 15G+3 -0.00228 0.00095 0.00107 0.00016 0.00043
|
|
290 15G-3 0.00029 0.00178 -0.00081 0.00185 0.00299
|
|
291 15G+4 0.00169 -0.00075 -0.00153 0.00062 0.00052
|
|
292 15G-4 -0.00001 -0.00204 -0.00048 -0.00173 -0.00210
|
|
21 22 23 24 25
|
|
V V V V V
|
|
Eigenvalues -- 0.51994 0.58755 0.63638 0.64650 0.73838
|
|
1 1 O 1S 0.01236 -0.00587 0.01601 0.00396 0.02977
|
|
2 2S -0.02494 0.00712 -0.02924 -0.00870 -0.04577
|
|
3 3S -0.00360 -0.01901 0.01363 -0.00406 0.06429
|
|
4 4S -0.08397 0.12272 -0.27149 -0.09723 -0.92318
|
|
5 5S -0.13215 0.19748 0.47967 0.67313 2.49533
|
|
6 6S 0.46053 -0.80123 4.49162 1.83447 16.31160
|
|
7 7PX -0.00018 -0.00582 0.00035 -0.00579 0.02210
|
|
8 7PY -0.00485 0.01134 0.00749 0.01709 -0.00493
|
|
9 7PZ -0.01114 -0.00596 -0.00709 0.00805 0.00540
|
|
10 8PX -0.02099 -0.01715 -0.02399 -0.01728 -0.06156
|
|
11 8PY -0.01402 0.00698 0.01126 0.01297 -0.04710
|
|
12 8PZ -0.00754 -0.00084 -0.03337 -0.01491 -0.05041
|
|
13 9PX 0.01938 0.01935 0.02637 0.10401 0.65604
|
|
14 9PY -0.00388 0.01090 0.02106 0.14278 0.44579
|
|
15 9PZ -0.09631 -0.02996 0.01039 0.17615 0.38331
|
|
16 10PX 0.87783 0.33175 1.38009 0.20950 3.80251
|
|
17 10PY 0.04751 1.71540 1.25892 0.50871 -3.01767
|
|
18 10PZ -0.43434 -0.50244 1.02315 0.77043 2.36304
|
|
19 11PX 0.24516 0.57249 1.80838 -0.45515 1.21800
|
|
20 11PY 0.11121 1.28408 1.11964 0.03672 -2.02113
|
|
21 11PZ -0.56062 0.39108 0.52683 0.90615 0.65012
|
|
22 12D 0 -0.00192 -0.00002 -0.00135 0.00017 -0.00460
|
|
23 12D+1 0.00111 -0.00105 0.00135 0.00124 0.00414
|
|
24 12D-1 0.00003 0.00076 0.00038 0.00130 -0.00050
|
|
25 12D+2 0.00136 0.00036 -0.00038 -0.00131 -0.00430
|
|
26 12D-2 0.00090 -0.00008 0.00266 0.00068 0.00121
|
|
27 13D 0 0.02199 0.00625 0.00965 -0.00842 0.02802
|
|
28 13D+1 -0.00248 0.01099 -0.01380 -0.01012 -0.03834
|
|
29 13D-1 0.00155 -0.00582 -0.01402 -0.01002 -0.00140
|
|
30 13D+2 -0.01411 -0.00499 0.00410 0.01057 0.01288
|
|
31 13D-2 -0.00553 -0.01232 -0.01989 -0.01295 -0.01129
|
|
32 14D 0 -0.10345 -0.05568 -0.03787 0.04524 -0.10334
|
|
33 14D+1 -0.00028 -0.05877 0.06576 0.11387 0.43741
|
|
34 14D-1 -0.00869 0.04808 0.06484 0.08744 0.06840
|
|
35 14D+2 0.08129 -0.00708 0.00465 -0.01944 0.22255
|
|
36 14D-2 0.03594 0.06571 0.15179 0.07804 0.12393
|
|
37 15D 0 -0.43630 -0.13938 0.01823 0.24759 -0.97935
|
|
38 15D+1 -0.05085 -0.17844 0.63213 0.17948 0.95911
|
|
39 15D-1 -0.02288 0.32161 0.49188 0.33931 0.13524
|
|
40 15D+2 0.40285 0.37311 0.42252 -0.40976 -0.53878
|
|
41 15D-2 0.03684 0.50392 0.69425 0.31056 0.31555
|
|
42 16F 0 -0.00005 0.00007 0.00093 0.00013 0.00210
|
|
43 16F+1 0.00010 0.00058 0.00049 0.00020 -0.00180
|
|
44 16F-1 0.00079 -0.00070 -0.00038 -0.00041 0.00136
|
|
45 16F+2 0.00075 0.00180 0.00221 -0.00064 -0.00562
|
|
46 16F-2 0.00001 0.00147 -0.00261 0.00056 -0.00177
|
|
47 16F+3 -0.00106 0.00169 0.00056 0.00084 -0.00284
|
|
48 16F-3 -0.00015 -0.00174 -0.00013 -0.00091 0.00014
|
|
49 17F 0 -0.00042 -0.00032 -0.00546 -0.00312 -0.02364
|
|
50 17F+1 -0.00374 -0.00531 -0.00273 0.00272 0.01669
|
|
51 17F-1 -0.00524 0.00462 0.00146 0.00244 -0.00949
|
|
52 17F+2 -0.00304 -0.01086 -0.01067 0.00764 0.05147
|
|
53 17F-2 -0.00018 -0.00504 0.01569 0.00230 0.01824
|
|
54 17F+3 0.00691 -0.00963 -0.00297 -0.00313 0.02591
|
|
55 17F-3 0.00147 0.01123 0.00278 0.00750 0.00225
|
|
56 18F 0 -0.09502 -0.02495 -0.06776 0.01861 -0.16362
|
|
57 18F+1 -0.17761 -0.14783 0.04122 0.13829 0.04714
|
|
58 18F-1 -0.02794 -0.05932 0.02510 0.07231 0.23270
|
|
59 18F+2 0.05945 -0.05191 0.09491 -0.02203 0.21188
|
|
60 18F-2 0.00581 0.13866 0.17611 0.15103 0.07313
|
|
61 18F+3 0.08556 -0.01816 0.00874 -0.08650 0.16254
|
|
62 18F-3 0.05223 0.07803 0.17299 0.10276 0.35760
|
|
63 19G 0 -0.00055 -0.00006 0.00084 0.00004 -0.00301
|
|
64 19G+1 0.00163 0.00106 0.00049 -0.00133 -0.00044
|
|
65 19G-1 0.00005 0.00062 0.00094 -0.00056 -0.00095
|
|
66 19G+2 0.00082 0.00167 -0.00003 -0.00048 -0.00196
|
|
67 19G-2 -0.00017 -0.00003 -0.00094 -0.00088 0.00099
|
|
68 19G+3 -0.00061 0.00079 0.00011 0.00166 0.00027
|
|
69 19G-3 -0.00007 -0.00114 -0.00249 -0.00046 0.00115
|
|
70 19G+4 -0.00100 0.00074 0.00058 0.00052 -0.00358
|
|
71 19G-4 -0.00050 -0.00115 -0.00093 0.00019 0.00073
|
|
72 20G 0 0.00639 0.00719 -0.00905 -0.00771 0.00345
|
|
73 20G+1 -0.02615 -0.01528 -0.00645 0.01449 -0.01656
|
|
74 20G-1 -0.00355 -0.00789 -0.00774 0.00237 0.00225
|
|
75 20G+2 -0.01466 -0.02522 0.00073 0.01274 0.03881
|
|
76 20G-2 -0.00338 0.00151 0.01480 0.01686 0.00110
|
|
77 20G+3 0.01072 -0.01634 -0.00218 -0.01464 0.03401
|
|
78 20G-3 0.00304 0.01972 0.03485 0.01761 0.01028
|
|
79 20G+4 0.01328 -0.01155 -0.00990 -0.00993 0.04818
|
|
80 20G-4 0.00823 0.01785 0.01928 0.00475 0.01006
|
|
81 21H 0 0.00207 0.00206 -0.00045 -0.00146 0.00048
|
|
82 21H+1 -0.00075 0.00055 -0.00056 -0.00022 -0.00216
|
|
83 21H-1 -0.00018 -0.00008 -0.00051 -0.00084 -0.00179
|
|
84 21H+2 -0.00297 -0.00204 -0.00019 0.00211 -0.00053
|
|
85 21H-2 -0.00094 -0.00096 -0.00037 0.00105 -0.00010
|
|
86 21H+3 -0.00029 -0.00298 -0.00008 0.00019 0.00270
|
|
87 21H-3 -0.00038 0.00097 0.00263 0.00236 -0.00129
|
|
88 21H+4 0.00159 -0.00195 -0.00079 -0.00187 0.00366
|
|
89 21H-4 0.00074 0.00291 0.00287 0.00230 0.00145
|
|
90 21H+5 0.00101 -0.00139 -0.00112 -0.00163 0.00262
|
|
91 21H-5 0.00088 0.00177 0.00251 -0.00003 -0.00106
|
|
92 2 O 1S 0.01236 0.00587 0.01601 -0.00396 -0.02977
|
|
93 2S -0.02494 -0.00712 -0.02924 0.00870 0.04577
|
|
94 3S -0.00360 0.01901 0.01363 0.00406 -0.06429
|
|
95 4S -0.08397 -0.12272 -0.27149 0.09723 0.92318
|
|
96 5S -0.13215 -0.19748 0.47967 -0.67313 -2.49533
|
|
97 6S 0.46053 0.80123 4.49162 -1.83447 -16.31160
|
|
98 7PX 0.00018 -0.00582 -0.00035 -0.00579 0.02210
|
|
99 7PY 0.00485 0.01134 -0.00749 0.01709 -0.00493
|
|
100 7PZ -0.01114 0.00596 -0.00709 -0.00805 -0.00540
|
|
101 8PX 0.02099 -0.01715 0.02399 -0.01728 -0.06156
|
|
102 8PY 0.01402 0.00698 -0.01126 0.01297 -0.04710
|
|
103 8PZ -0.00754 0.00084 -0.03337 0.01491 0.05041
|
|
104 9PX -0.01938 0.01935 -0.02637 0.10401 0.65604
|
|
105 9PY 0.00388 0.01090 -0.02106 0.14278 0.44579
|
|
106 9PZ -0.09631 0.02996 0.01039 -0.17615 -0.38331
|
|
107 10PX -0.87783 0.33175 -1.38009 0.20950 3.80251
|
|
108 10PY -0.04751 1.71540 -1.25892 0.50871 -3.01767
|
|
109 10PZ -0.43434 0.50244 1.02315 -0.77043 -2.36304
|
|
110 11PX -0.24516 0.57249 -1.80838 -0.45515 1.21800
|
|
111 11PY -0.11121 1.28408 -1.11964 0.03672 -2.02113
|
|
112 11PZ -0.56062 -0.39108 0.52683 -0.90615 -0.65012
|
|
113 12D 0 -0.00192 0.00002 -0.00135 -0.00017 0.00460
|
|
114 12D+1 -0.00111 -0.00105 -0.00135 0.00124 0.00414
|
|
115 12D-1 -0.00003 0.00076 -0.00038 0.00130 -0.00050
|
|
116 12D+2 0.00136 -0.00036 -0.00038 0.00131 0.00430
|
|
117 12D-2 0.00090 0.00008 0.00266 -0.00068 -0.00121
|
|
118 13D 0 0.02199 -0.00625 0.00965 0.00842 -0.02802
|
|
119 13D+1 0.00248 0.01099 0.01380 -0.01012 -0.03834
|
|
120 13D-1 -0.00155 -0.00582 0.01402 -0.01002 -0.00140
|
|
121 13D+2 -0.01411 0.00499 0.00410 -0.01057 -0.01288
|
|
122 13D-2 -0.00553 0.01232 -0.01989 0.01295 0.01129
|
|
123 14D 0 -0.10345 0.05568 -0.03787 -0.04524 0.10334
|
|
124 14D+1 0.00028 -0.05877 -0.06576 0.11387 0.43741
|
|
125 14D-1 0.00869 0.04808 -0.06484 0.08744 0.06840
|
|
126 14D+2 0.08129 0.00708 0.00465 0.01944 -0.22255
|
|
127 14D-2 0.03594 -0.06571 0.15179 -0.07804 -0.12393
|
|
128 15D 0 -0.43630 0.13938 0.01823 -0.24759 0.97935
|
|
129 15D+1 0.05085 -0.17844 -0.63213 0.17948 0.95911
|
|
130 15D-1 0.02288 0.32161 -0.49188 0.33931 0.13524
|
|
131 15D+2 0.40285 -0.37311 0.42252 0.40976 0.53878
|
|
132 15D-2 0.03684 -0.50392 0.69425 -0.31056 -0.31555
|
|
133 16F 0 -0.00005 -0.00007 0.00093 -0.00013 -0.00210
|
|
134 16F+1 -0.00010 0.00058 -0.00049 0.00020 -0.00180
|
|
135 16F-1 -0.00079 -0.00070 0.00038 -0.00041 0.00136
|
|
136 16F+2 0.00075 -0.00180 0.00221 0.00064 0.00562
|
|
137 16F-2 0.00001 -0.00147 -0.00261 -0.00056 0.00177
|
|
138 16F+3 0.00106 0.00169 -0.00056 0.00084 -0.00284
|
|
139 16F-3 0.00015 -0.00174 0.00013 -0.00091 0.00014
|
|
140 17F 0 -0.00042 0.00032 -0.00546 0.00312 0.02364
|
|
141 17F+1 0.00374 -0.00531 0.00273 0.00272 0.01669
|
|
142 17F-1 0.00524 0.00462 -0.00146 0.00244 -0.00949
|
|
143 17F+2 -0.00304 0.01086 -0.01067 -0.00764 -0.05147
|
|
144 17F-2 -0.00018 0.00504 0.01569 -0.00230 -0.01824
|
|
145 17F+3 -0.00691 -0.00963 0.00297 -0.00313 0.02591
|
|
146 17F-3 -0.00147 0.01123 -0.00278 0.00750 0.00225
|
|
147 18F 0 -0.09502 0.02495 -0.06776 -0.01861 0.16362
|
|
148 18F+1 0.17761 -0.14783 -0.04122 0.13829 0.04714
|
|
149 18F-1 0.02794 -0.05932 -0.02510 0.07231 0.23270
|
|
150 18F+2 0.05945 0.05191 0.09491 0.02203 -0.21188
|
|
151 18F-2 0.00581 -0.13866 0.17611 -0.15103 -0.07313
|
|
152 18F+3 -0.08556 -0.01816 -0.00874 -0.08650 0.16254
|
|
153 18F-3 -0.05223 0.07803 -0.17299 0.10276 0.35760
|
|
154 19G 0 -0.00055 0.00006 0.00084 -0.00004 0.00301
|
|
155 19G+1 -0.00163 0.00106 -0.00049 -0.00133 -0.00044
|
|
156 19G-1 -0.00005 0.00062 -0.00094 -0.00056 -0.00095
|
|
157 19G+2 0.00082 -0.00167 -0.00003 0.00048 0.00196
|
|
158 19G-2 -0.00017 0.00003 -0.00094 0.00088 -0.00099
|
|
159 19G+3 0.00061 0.00079 -0.00011 0.00166 0.00027
|
|
160 19G-3 0.00007 -0.00114 0.00249 -0.00046 0.00115
|
|
161 19G+4 -0.00100 -0.00074 0.00058 -0.00052 0.00358
|
|
162 19G-4 -0.00050 0.00115 -0.00093 -0.00019 -0.00073
|
|
163 20G 0 0.00639 -0.00719 -0.00905 0.00771 -0.00345
|
|
164 20G+1 0.02615 -0.01528 0.00645 0.01449 -0.01656
|
|
165 20G-1 0.00355 -0.00789 0.00774 0.00237 0.00225
|
|
166 20G+2 -0.01466 0.02522 0.00073 -0.01274 -0.03881
|
|
167 20G-2 -0.00338 -0.00151 0.01480 -0.01686 -0.00110
|
|
168 20G+3 -0.01072 -0.01634 0.00218 -0.01464 0.03401
|
|
169 20G-3 -0.00304 0.01972 -0.03485 0.01761 0.01028
|
|
170 20G+4 0.01328 0.01155 -0.00990 0.00993 -0.04818
|
|
171 20G-4 0.00823 -0.01785 0.01928 -0.00475 -0.01006
|
|
172 21H 0 0.00207 -0.00206 -0.00045 0.00146 -0.00048
|
|
173 21H+1 0.00075 0.00055 0.00056 -0.00022 -0.00216
|
|
174 21H-1 0.00018 -0.00008 0.00051 -0.00084 -0.00179
|
|
175 21H+2 -0.00297 0.00204 -0.00019 -0.00211 0.00053
|
|
176 21H-2 -0.00094 0.00096 -0.00037 -0.00105 0.00010
|
|
177 21H+3 0.00029 -0.00298 0.00008 0.00019 0.00270
|
|
178 21H-3 0.00038 0.00097 -0.00263 0.00236 -0.00129
|
|
179 21H+4 0.00159 0.00195 -0.00079 0.00187 -0.00366
|
|
180 21H-4 0.00074 -0.00291 0.00287 -0.00230 -0.00145
|
|
181 21H+5 -0.00101 -0.00139 0.00112 -0.00163 0.00262
|
|
182 21H-5 -0.00088 0.00177 -0.00251 -0.00003 -0.00106
|
|
183 3 H 1S 0.00483 -0.00459 0.00082 0.00109 0.00904
|
|
184 2S 0.01302 -0.01314 0.01751 0.06579 0.27978
|
|
185 3S -0.73891 -0.01577 -2.23888 -0.70937 -4.63515
|
|
186 4S 0.74171 -1.60225 -3.12116 -1.18316 -7.34485
|
|
187 5S -0.42737 -0.13583 -0.24655 0.27134 0.45227
|
|
188 6PX 0.00146 0.00312 -0.00158 -0.00547 -0.00437
|
|
189 6PY -0.00034 0.00180 0.00463 0.00299 0.00301
|
|
190 6PZ -0.00697 -0.00258 -0.00096 0.00508 -0.00539
|
|
191 7PX 0.00426 -0.01716 0.01197 0.01504 -0.00890
|
|
192 7PY 0.00366 -0.00243 -0.01751 -0.01250 -0.02976
|
|
193 7PZ 0.03538 0.00871 0.00659 -0.02978 0.00523
|
|
194 8PX 0.02988 -0.03857 0.57960 0.36489 1.54217
|
|
195 8PY 0.04673 -0.27213 -0.05036 -0.09919 0.51693
|
|
196 8PZ 0.24412 0.13985 0.35109 0.12032 1.07654
|
|
197 9PX -0.92215 0.15864 1.14110 1.60744 2.56234
|
|
198 9PY -0.05850 -1.25157 -1.60417 -1.04003 0.50630
|
|
199 9PZ 1.33616 1.20985 0.75209 -0.65532 2.25246
|
|
200 10D 0 0.00095 0.00281 -0.00050 -0.00168 0.00004
|
|
201 10D+1 -0.00053 0.00055 -0.00127 0.00139 0.00882
|
|
202 10D-1 -0.00166 0.00032 -0.00511 -0.00065 0.00611
|
|
203 10D+2 -0.00205 -0.00036 -0.00109 0.00337 0.00549
|
|
204 10D-2 0.00238 -0.00645 0.00211 -0.00106 0.00704
|
|
205 11D 0 -0.02339 -0.03059 0.00679 0.02416 0.00705
|
|
206 11D+1 -0.02934 -0.00369 -0.04418 -0.02618 -0.19537
|
|
207 11D-1 -0.00148 0.01229 0.02565 0.01049 -0.07046
|
|
208 11D+2 0.00603 0.01111 -0.03467 -0.04687 -0.12707
|
|
209 11D-2 -0.01567 0.05428 -0.00514 0.00909 -0.09296
|
|
210 12D 0 -0.40308 -0.27386 -0.06490 0.25761 -0.02957
|
|
211 12D+1 -0.15591 -0.24313 -0.12152 -0.08514 -0.57064
|
|
212 12D-1 -0.10736 0.20649 0.20798 0.21104 -0.11642
|
|
213 12D+2 0.25295 -0.08422 -0.23709 -0.40108 -0.30479
|
|
214 12D-2 0.11878 0.32450 0.42847 0.19398 -0.16941
|
|
215 13F 0 -0.00176 -0.00022 -0.00468 -0.00015 -0.00948
|
|
216 13F+1 -0.00228 -0.00191 0.00088 0.00220 0.00433
|
|
217 13F-1 -0.00123 -0.00046 -0.00081 0.00040 -0.00064
|
|
218 13F+2 0.00344 -0.00294 0.00511 0.00026 0.01205
|
|
219 13F-2 0.00048 -0.00013 0.00407 0.00206 0.01078
|
|
220 13F+3 0.00149 -0.00159 -0.00112 -0.00164 0.00667
|
|
221 13F-3 0.00285 -0.00078 0.00322 0.00063 0.00662
|
|
222 14F 0 0.03139 0.02318 0.01890 -0.03604 -0.03162
|
|
223 14F+1 0.10250 0.07897 0.01410 -0.05721 0.04634
|
|
224 14F-1 0.03199 0.00711 -0.00525 -0.02069 0.01993
|
|
225 14F+2 -0.01349 0.04868 0.02446 0.05523 0.07504
|
|
226 14F-2 0.01195 -0.06000 -0.08649 -0.05121 0.04153
|
|
227 14F+3 -0.04107 0.02575 0.05962 0.08476 0.02980
|
|
228 14F-3 -0.03449 -0.06230 -0.07047 -0.01988 0.04309
|
|
229 15G 0 0.00320 0.00225 0.00052 -0.00118 0.00295
|
|
230 15G+1 -0.00571 -0.00370 -0.00089 0.00472 0.00096
|
|
231 15G-1 -0.00126 -0.00237 -0.00165 -0.00015 0.00103
|
|
232 15G+2 -0.00444 -0.00494 -0.00171 0.00132 -0.00371
|
|
233 15G-2 -0.00345 0.00054 0.00233 0.00268 -0.00283
|
|
234 15G+3 0.00170 -0.00392 -0.00478 -0.00550 -0.00393
|
|
235 15G-3 0.00029 0.00476 0.00638 0.00273 -0.00607
|
|
236 15G+4 0.00172 -0.00224 -0.00454 -0.00512 -0.00114
|
|
237 15G-4 0.00248 0.00362 0.00337 0.00035 -0.00350
|
|
238 4 H 1S 0.00483 0.00459 0.00082 -0.00109 -0.00904
|
|
239 2S 0.01302 0.01314 0.01751 -0.06579 -0.27978
|
|
240 3S -0.73891 0.01577 -2.23888 0.70937 4.63515
|
|
241 4S 0.74171 1.60225 -3.12116 1.18316 7.34485
|
|
242 5S -0.42737 0.13583 -0.24655 -0.27134 -0.45227
|
|
243 6PX -0.00146 0.00312 0.00158 -0.00547 -0.00437
|
|
244 6PY 0.00034 0.00180 -0.00463 0.00299 0.00301
|
|
245 6PZ -0.00697 0.00258 -0.00096 -0.00508 0.00539
|
|
246 7PX -0.00426 -0.01716 -0.01197 0.01504 -0.00890
|
|
247 7PY -0.00366 -0.00243 0.01751 -0.01250 -0.02976
|
|
248 7PZ 0.03538 -0.00871 0.00659 0.02978 -0.00523
|
|
249 8PX -0.02988 -0.03857 -0.57960 0.36489 1.54217
|
|
250 8PY -0.04673 -0.27213 0.05036 -0.09919 0.51693
|
|
251 8PZ 0.24412 -0.13985 0.35109 -0.12032 -1.07654
|
|
252 9PX 0.92215 0.15864 -1.14110 1.60744 2.56234
|
|
253 9PY 0.05850 -1.25157 1.60417 -1.04003 0.50630
|
|
254 9PZ 1.33616 -1.20985 0.75209 0.65532 -2.25246
|
|
255 10D 0 0.00095 -0.00281 -0.00050 0.00168 -0.00004
|
|
256 10D+1 0.00053 0.00055 0.00127 0.00139 0.00882
|
|
257 10D-1 0.00166 0.00032 0.00511 -0.00065 0.00611
|
|
258 10D+2 -0.00205 0.00036 -0.00109 -0.00337 -0.00549
|
|
259 10D-2 0.00238 0.00645 0.00211 0.00106 -0.00704
|
|
260 11D 0 -0.02339 0.03059 0.00679 -0.02416 -0.00705
|
|
261 11D+1 0.02934 -0.00369 0.04418 -0.02618 -0.19537
|
|
262 11D-1 0.00148 0.01229 -0.02565 0.01049 -0.07046
|
|
263 11D+2 0.00603 -0.01111 -0.03467 0.04687 0.12707
|
|
264 11D-2 -0.01567 -0.05428 -0.00514 -0.00909 0.09296
|
|
265 12D 0 -0.40308 0.27386 -0.06490 -0.25761 0.02957
|
|
266 12D+1 0.15591 -0.24313 0.12152 -0.08514 -0.57064
|
|
267 12D-1 0.10736 0.20649 -0.20798 0.21104 -0.11642
|
|
268 12D+2 0.25295 0.08422 -0.23709 0.40108 0.30479
|
|
269 12D-2 0.11878 -0.32450 0.42847 -0.19398 0.16941
|
|
270 13F 0 -0.00176 0.00022 -0.00468 0.00015 0.00948
|
|
271 13F+1 0.00228 -0.00191 -0.00088 0.00220 0.00433
|
|
272 13F-1 0.00123 -0.00046 0.00081 0.00040 -0.00064
|
|
273 13F+2 0.00344 0.00294 0.00511 -0.00026 -0.01205
|
|
274 13F-2 0.00048 0.00013 0.00407 -0.00206 -0.01078
|
|
275 13F+3 -0.00149 -0.00159 0.00112 -0.00164 0.00667
|
|
276 13F-3 -0.00285 -0.00078 -0.00322 0.00063 0.00662
|
|
277 14F 0 0.03139 -0.02318 0.01890 0.03604 0.03162
|
|
278 14F+1 -0.10250 0.07897 -0.01410 -0.05721 0.04634
|
|
279 14F-1 -0.03199 0.00711 0.00525 -0.02069 0.01993
|
|
280 14F+2 -0.01349 -0.04868 0.02446 -0.05523 -0.07504
|
|
281 14F-2 0.01195 0.06000 -0.08649 0.05121 -0.04153
|
|
282 14F+3 0.04107 0.02575 -0.05962 0.08476 0.02980
|
|
283 14F-3 0.03449 -0.06230 0.07047 -0.01988 0.04309
|
|
284 15G 0 0.00320 -0.00225 0.00052 0.00118 -0.00295
|
|
285 15G+1 0.00571 -0.00370 0.00089 0.00472 0.00096
|
|
286 15G-1 0.00126 -0.00237 0.00165 -0.00015 0.00103
|
|
287 15G+2 -0.00444 0.00494 -0.00171 -0.00132 0.00371
|
|
288 15G-2 -0.00345 -0.00054 0.00233 -0.00268 0.00283
|
|
289 15G+3 -0.00170 -0.00392 0.00478 -0.00550 -0.00393
|
|
290 15G-3 -0.00029 0.00476 -0.00638 0.00273 -0.00607
|
|
291 15G+4 0.00172 0.00224 -0.00454 0.00512 0.00114
|
|
292 15G-4 0.00248 -0.00362 0.00337 -0.00035 0.00350
|
|
26 27 28 29 30
|
|
V V V V V
|
|
Eigenvalues -- 0.74109 0.86599 0.89483 0.97404 0.99607
|
|
1 1 O 1S 0.02463 -0.01804 0.00813 -0.02473 0.00954
|
|
2 2S -0.04840 0.04363 -0.00248 0.02880 0.00036
|
|
3 3S -0.00150 0.02574 0.05663 -0.06869 0.06303
|
|
4 4S 0.23235 0.59421 0.21973 0.04771 0.05066
|
|
5 5S -4.19153 -4.13912 -5.17864 2.81039 -1.75540
|
|
6 6S -2.56566 -16.14429 -5.06634 -0.35432 -2.94519
|
|
7 7PX -0.00486 -0.01067 -0.01853 0.02583 -0.04433
|
|
8 7PY -0.00767 0.00353 -0.01214 0.00298 -0.00090
|
|
9 7PZ -0.00324 -0.03309 0.00217 0.02396 -0.02571
|
|
10 8PX 0.06511 0.09260 0.05527 -0.02504 -0.00851
|
|
11 8PY -0.00620 0.03261 -0.02566 -0.00625 0.02193
|
|
12 8PZ 0.03441 0.01354 0.06957 0.00271 0.01552
|
|
13 9PX -0.81126 -0.83394 -0.86086 0.69376 -0.62546
|
|
14 9PY -0.16236 -0.16716 0.08709 0.06997 -0.15567
|
|
15 9PZ -0.50625 -0.62145 -0.57136 0.46234 -0.45169
|
|
16 10PX -1.15709 -5.74842 -4.61100 1.12039 -1.37935
|
|
17 10PY -0.61853 -1.05937 -4.67913 0.96219 -0.48349
|
|
18 10PZ -0.86599 -4.27745 -2.62326 0.47803 -1.21977
|
|
19 11PX -0.55908 -2.99795 -2.06254 0.10369 0.23487
|
|
20 11PY -0.68927 0.13382 -2.01152 0.68846 0.25754
|
|
21 11PZ 0.04038 -2.22096 -1.34420 -0.27396 -0.23108
|
|
22 12D 0 -0.00056 -0.00048 -0.00280 0.00011 0.00071
|
|
23 12D+1 0.00398 -0.00550 0.00051 -0.00080 -0.00033
|
|
24 12D-1 0.00014 -0.00076 0.00011 -0.00121 -0.00075
|
|
25 12D+2 0.00230 -0.00283 -0.00569 -0.00031 0.00071
|
|
26 12D-2 0.00162 0.00011 -0.00112 -0.00008 0.00008
|
|
27 13D 0 0.00198 0.00000 0.01626 0.00293 -0.00829
|
|
28 13D+1 -0.01830 0.03986 -0.00113 -0.02579 0.03175
|
|
29 13D-1 0.00678 -0.00169 0.00282 0.00161 0.01398
|
|
30 13D+2 -0.00589 0.01959 0.03296 -0.01365 0.01900
|
|
31 13D-2 -0.00215 0.00607 0.00297 -0.01314 0.00806
|
|
32 14D 0 0.03529 -0.00713 0.00880 -0.04967 -0.00932
|
|
33 14D+1 -0.26899 -0.59242 -0.41755 0.28275 -0.31992
|
|
34 14D-1 -0.09027 -0.11340 -0.09582 0.04414 -0.09733
|
|
35 14D+2 -0.17384 -0.40952 -0.38860 0.22280 -0.20091
|
|
36 14D-2 -0.11319 -0.13608 -0.18290 0.10916 -0.11543
|
|
37 15D 0 0.07375 -0.00793 -0.55034 0.05480 -0.27283
|
|
38 15D+1 0.03669 -1.61756 -1.13925 -0.40110 -0.09462
|
|
39 15D-1 -0.07908 -0.31200 -0.45551 -0.03369 -0.06092
|
|
40 15D+2 -0.01123 -1.07263 -2.12208 0.30029 0.17992
|
|
41 15D-2 -0.37407 -0.38867 -0.48955 -0.12786 -0.04433
|
|
42 16F 0 -0.00424 -0.00154 -0.00395 0.00391 -0.00300
|
|
43 16F+1 0.00170 0.00148 0.00118 -0.00129 0.00270
|
|
44 16F-1 0.00252 -0.00073 0.00191 -0.00050 -0.00055
|
|
45 16F+2 0.00449 0.00497 0.00250 -0.00549 0.00511
|
|
46 16F-2 0.00171 0.00188 0.00164 -0.00243 0.00353
|
|
47 16F+3 0.00128 0.00178 0.00170 -0.00305 0.00245
|
|
48 16F-3 0.00402 0.00126 0.00378 -0.00255 0.00160
|
|
49 17F 0 0.03854 0.02805 0.03945 -0.03347 0.02774
|
|
50 17F+1 -0.01858 -0.02035 -0.01694 0.01323 -0.02184
|
|
51 17F-1 -0.01543 0.00215 -0.01607 0.00528 0.00261
|
|
52 17F+2 -0.05003 -0.05547 -0.04415 0.04975 -0.04359
|
|
53 17F-2 -0.02277 -0.02306 -0.02338 0.02442 -0.02627
|
|
54 17F+3 -0.02140 -0.02645 -0.02506 0.02627 -0.02236
|
|
55 17F-3 -0.03354 -0.01614 -0.03882 0.02349 -0.01633
|
|
56 18F 0 -0.05047 0.16012 0.07238 -0.00223 0.00979
|
|
57 18F+1 0.03860 -0.15589 -0.00149 -0.07531 -0.08450
|
|
58 18F-1 0.03461 -0.04226 0.17605 -0.06073 -0.05647
|
|
59 18F+2 0.07375 -0.28290 -0.14442 -0.03569 -0.04013
|
|
60 18F-2 -0.05000 -0.09272 -0.10744 -0.01664 -0.07119
|
|
61 18F+3 0.02871 -0.15796 -0.06959 0.01952 0.04084
|
|
62 18F-3 0.00566 -0.08161 0.13441 -0.04183 -0.05696
|
|
63 19G 0 0.00224 0.00124 0.00040 -0.00250 0.00228
|
|
64 19G+1 0.00268 0.00140 0.00074 -0.00151 0.00280
|
|
65 19G-1 -0.00001 0.00018 -0.00034 -0.00076 0.00057
|
|
66 19G+2 -0.00407 -0.00036 -0.00471 0.00406 -0.00073
|
|
67 19G-2 -0.00132 -0.00028 -0.00055 0.00159 0.00046
|
|
68 19G+3 -0.00370 -0.00186 -0.00296 0.00391 -0.00306
|
|
69 19G-3 -0.00223 -0.00151 -0.00122 0.00227 -0.00140
|
|
70 19G+4 -0.00298 0.00004 -0.00452 0.00188 -0.00090
|
|
71 19G-4 -0.00153 -0.00061 -0.00105 0.00138 -0.00034
|
|
72 20G 0 -0.00451 0.01696 0.01426 0.00145 0.00882
|
|
73 20G+1 -0.00609 0.00780 0.01439 -0.01097 -0.00668
|
|
74 20G-1 0.00257 0.00184 0.00739 0.00001 -0.00014
|
|
75 20G+2 0.01181 -0.02320 0.02031 -0.01432 -0.01893
|
|
76 20G-2 0.00001 -0.00980 -0.00406 -0.00350 -0.01686
|
|
77 20G+3 0.00935 -0.02198 -0.00019 0.00171 -0.00434
|
|
78 20G-3 -0.00340 -0.01373 -0.01502 0.00546 -0.01785
|
|
79 20G+4 0.01135 -0.01281 0.02602 -0.00125 -0.00088
|
|
80 20G-4 -0.00322 -0.00946 -0.00943 0.00648 -0.01340
|
|
81 21H 0 -0.00008 0.00056 -0.00079 0.00120 0.00119
|
|
82 21H+1 -0.00125 0.00165 0.00013 -0.00132 0.00236
|
|
83 21H-1 0.00011 0.00083 -0.00143 0.00044 0.00134
|
|
84 21H+2 -0.00044 -0.00028 0.00120 -0.00144 -0.00099
|
|
85 21H-2 -0.00001 -0.00038 0.00077 -0.00080 -0.00024
|
|
86 21H+3 0.00084 -0.00136 0.00145 0.00035 -0.00231
|
|
87 21H-3 0.00004 -0.00098 -0.00174 0.00137 -0.00246
|
|
88 21H+4 0.00113 -0.00138 0.00191 0.00153 -0.00054
|
|
89 21H-4 0.00000 -0.00142 -0.00072 0.00172 -0.00306
|
|
90 21H+5 0.00038 -0.00050 0.00140 0.00082 -0.00034
|
|
91 21H-5 0.00006 0.00030 -0.00290 0.00237 -0.00065
|
|
92 2 O 1S 0.02463 -0.01804 -0.00813 0.02473 0.00954
|
|
93 2S -0.04840 0.04363 0.00248 -0.02880 0.00036
|
|
94 3S -0.00150 0.02574 -0.05663 0.06869 0.06303
|
|
95 4S 0.23235 0.59421 -0.21973 -0.04771 0.05066
|
|
96 5S -4.19153 -4.13912 5.17864 -2.81039 -1.75540
|
|
97 6S -2.56566 -16.14429 5.06634 0.35432 -2.94519
|
|
98 7PX 0.00486 0.01067 -0.01853 0.02583 0.04433
|
|
99 7PY 0.00767 -0.00353 -0.01214 0.00298 0.00090
|
|
100 7PZ -0.00324 -0.03309 -0.00217 -0.02396 -0.02571
|
|
101 8PX -0.06511 -0.09260 0.05527 -0.02504 0.00851
|
|
102 8PY 0.00620 -0.03261 -0.02566 -0.00625 -0.02193
|
|
103 8PZ 0.03441 0.01354 -0.06957 -0.00271 0.01552
|
|
104 9PX 0.81126 0.83394 -0.86086 0.69376 0.62546
|
|
105 9PY 0.16236 0.16716 0.08709 0.06997 0.15567
|
|
106 9PZ -0.50625 -0.62145 0.57136 -0.46234 -0.45169
|
|
107 10PX 1.15709 5.74842 -4.61100 1.12039 1.37935
|
|
108 10PY 0.61853 1.05937 -4.67913 0.96219 0.48349
|
|
109 10PZ -0.86599 -4.27745 2.62326 -0.47803 -1.21977
|
|
110 11PX 0.55908 2.99795 -2.06254 0.10369 -0.23487
|
|
111 11PY 0.68927 -0.13382 -2.01152 0.68846 -0.25754
|
|
112 11PZ 0.04038 -2.22096 1.34420 0.27396 -0.23108
|
|
113 12D 0 -0.00056 -0.00048 0.00280 -0.00011 0.00071
|
|
114 12D+1 -0.00398 0.00550 0.00051 -0.00080 0.00033
|
|
115 12D-1 -0.00014 0.00076 0.00011 -0.00121 0.00075
|
|
116 12D+2 0.00230 -0.00283 0.00569 0.00031 0.00071
|
|
117 12D-2 0.00162 0.00011 0.00112 0.00008 0.00008
|
|
118 13D 0 0.00198 0.00000 -0.01626 -0.00293 -0.00829
|
|
119 13D+1 0.01830 -0.03986 -0.00113 -0.02579 -0.03175
|
|
120 13D-1 -0.00678 0.00169 0.00282 0.00161 -0.01398
|
|
121 13D+2 -0.00589 0.01959 -0.03296 0.01365 0.01900
|
|
122 13D-2 -0.00215 0.00607 -0.00297 0.01314 0.00806
|
|
123 14D 0 0.03529 -0.00713 -0.00880 0.04967 -0.00932
|
|
124 14D+1 0.26899 0.59242 -0.41755 0.28275 0.31992
|
|
125 14D-1 0.09027 0.11340 -0.09582 0.04414 0.09733
|
|
126 14D+2 -0.17384 -0.40952 0.38860 -0.22280 -0.20091
|
|
127 14D-2 -0.11319 -0.13608 0.18290 -0.10916 -0.11543
|
|
128 15D 0 0.07375 -0.00793 0.55034 -0.05480 -0.27283
|
|
129 15D+1 -0.03669 1.61756 -1.13925 -0.40110 0.09462
|
|
130 15D-1 0.07908 0.31200 -0.45551 -0.03369 0.06092
|
|
131 15D+2 -0.01123 -1.07263 2.12208 -0.30029 0.17992
|
|
132 15D-2 -0.37407 -0.38867 0.48955 0.12786 -0.04433
|
|
133 16F 0 -0.00424 -0.00154 0.00395 -0.00391 -0.00300
|
|
134 16F+1 -0.00170 -0.00148 0.00118 -0.00129 -0.00270
|
|
135 16F-1 -0.00252 0.00073 0.00191 -0.00050 0.00055
|
|
136 16F+2 0.00449 0.00497 -0.00250 0.00549 0.00511
|
|
137 16F-2 0.00171 0.00188 -0.00164 0.00243 0.00353
|
|
138 16F+3 -0.00128 -0.00178 0.00170 -0.00305 -0.00245
|
|
139 16F-3 -0.00402 -0.00126 0.00378 -0.00255 -0.00160
|
|
140 17F 0 0.03854 0.02805 -0.03945 0.03347 0.02774
|
|
141 17F+1 0.01858 0.02035 -0.01694 0.01323 0.02184
|
|
142 17F-1 0.01543 -0.00215 -0.01607 0.00528 -0.00261
|
|
143 17F+2 -0.05003 -0.05547 0.04415 -0.04975 -0.04359
|
|
144 17F-2 -0.02277 -0.02306 0.02338 -0.02442 -0.02627
|
|
145 17F+3 0.02140 0.02645 -0.02506 0.02627 0.02236
|
|
146 17F-3 0.03354 0.01614 -0.03882 0.02349 0.01633
|
|
147 18F 0 -0.05047 0.16012 -0.07238 0.00223 0.00979
|
|
148 18F+1 -0.03860 0.15589 -0.00149 -0.07531 0.08450
|
|
149 18F-1 -0.03461 0.04226 0.17605 -0.06073 0.05647
|
|
150 18F+2 0.07375 -0.28290 0.14442 0.03569 -0.04013
|
|
151 18F-2 -0.05000 -0.09272 0.10744 0.01664 -0.07119
|
|
152 18F+3 -0.02871 0.15796 -0.06959 0.01952 -0.04084
|
|
153 18F-3 -0.00566 0.08161 0.13441 -0.04183 0.05696
|
|
154 19G 0 0.00224 0.00124 -0.00040 0.00250 0.00228
|
|
155 19G+1 -0.00268 -0.00140 0.00074 -0.00151 -0.00280
|
|
156 19G-1 0.00001 -0.00018 -0.00034 -0.00076 -0.00057
|
|
157 19G+2 -0.00407 -0.00036 0.00471 -0.00406 -0.00073
|
|
158 19G-2 -0.00132 -0.00028 0.00055 -0.00159 0.00046
|
|
159 19G+3 0.00370 0.00186 -0.00296 0.00391 0.00306
|
|
160 19G-3 0.00223 0.00151 -0.00122 0.00227 0.00140
|
|
161 19G+4 -0.00298 0.00004 0.00452 -0.00188 -0.00090
|
|
162 19G-4 -0.00153 -0.00061 0.00105 -0.00138 -0.00034
|
|
163 20G 0 -0.00451 0.01696 -0.01426 -0.00145 0.00882
|
|
164 20G+1 0.00609 -0.00780 0.01439 -0.01097 0.00668
|
|
165 20G-1 -0.00257 -0.00184 0.00739 0.00001 0.00014
|
|
166 20G+2 0.01181 -0.02320 -0.02031 0.01432 -0.01893
|
|
167 20G-2 0.00001 -0.00980 0.00406 0.00350 -0.01686
|
|
168 20G+3 -0.00935 0.02198 -0.00019 0.00171 0.00434
|
|
169 20G-3 0.00340 0.01373 -0.01502 0.00546 0.01785
|
|
170 20G+4 0.01135 -0.01281 -0.02602 0.00125 -0.00088
|
|
171 20G-4 -0.00322 -0.00946 0.00943 -0.00648 -0.01340
|
|
172 21H 0 -0.00008 0.00056 0.00079 -0.00120 0.00119
|
|
173 21H+1 0.00125 -0.00165 0.00013 -0.00132 -0.00236
|
|
174 21H-1 -0.00011 -0.00083 -0.00143 0.00044 -0.00134
|
|
175 21H+2 -0.00044 -0.00028 -0.00120 0.00144 -0.00099
|
|
176 21H-2 -0.00001 -0.00038 -0.00077 0.00080 -0.00024
|
|
177 21H+3 -0.00084 0.00136 0.00145 0.00035 0.00231
|
|
178 21H-3 -0.00004 0.00098 -0.00174 0.00137 0.00246
|
|
179 21H+4 0.00113 -0.00138 -0.00191 -0.00153 -0.00054
|
|
180 21H-4 0.00000 -0.00142 0.00072 -0.00172 -0.00306
|
|
181 21H+5 -0.00038 0.00050 0.00140 0.00082 0.00034
|
|
182 21H-5 -0.00006 -0.00030 -0.00290 0.00237 0.00065
|
|
183 3 H 1S 0.00048 -0.01634 -0.01715 -0.04647 0.04922
|
|
184 2S -0.37518 -0.41957 -0.44695 0.28300 -0.23928
|
|
185 3S 1.52252 5.89759 4.32132 -2.26347 3.16988
|
|
186 4S 4.56825 16.49598 12.37664 -0.89501 1.10944
|
|
187 5S -0.40334 -0.70332 -0.09621 -1.02308 0.69059
|
|
188 6PX -0.00106 -0.00256 -0.00745 -0.01733 0.01973
|
|
189 6PY -0.00183 0.00171 0.00386 -0.00559 0.00615
|
|
190 6PZ 0.00225 -0.00355 -0.00628 -0.01057 0.01311
|
|
191 7PX 0.07812 0.07669 0.11388 0.03808 -0.05395
|
|
192 7PY 0.02327 0.00700 -0.01295 0.01912 -0.02889
|
|
193 7PZ 0.03586 0.05810 0.08710 0.01210 -0.04436
|
|
194 8PX -0.97417 -2.23889 -1.83177 0.47565 -0.73981
|
|
195 8PY -0.13783 -0.48958 -0.18168 0.06535 -0.00420
|
|
196 8PZ -0.61438 -1.46085 -1.33152 0.48431 -0.32678
|
|
197 9PX -2.45905 -6.06206 -4.98771 1.78547 -1.94656
|
|
198 9PY 0.31884 -2.18042 -1.18105 0.63298 -0.64128
|
|
199 9PZ -2.08290 -3.39301 -3.59678 1.49207 -0.78475
|
|
200 10D 0 0.00195 0.00054 -0.00046 0.00189 0.00222
|
|
201 10D+1 -0.01664 -0.01133 -0.01621 0.01415 -0.01055
|
|
202 10D-1 -0.00260 -0.00520 0.00124 0.00454 0.00255
|
|
203 10D+2 -0.01264 -0.01039 -0.00962 0.00933 -0.00971
|
|
204 10D-2 -0.00668 0.00178 -0.00363 0.00343 -0.00369
|
|
205 11D 0 -0.01292 -0.01655 0.00253 -0.01303 -0.02649
|
|
206 11D+1 0.14291 0.21723 0.19250 -0.16228 0.15903
|
|
207 11D-1 0.02302 0.05975 0.01399 -0.03930 0.00552
|
|
208 11D+2 0.10666 0.16994 0.12623 -0.10224 0.13707
|
|
209 11D-2 0.04569 0.05049 0.04177 -0.04085 0.04449
|
|
210 12D 0 0.04363 -0.18965 0.01593 -0.08033 -0.16328
|
|
211 12D+1 0.77890 0.91996 1.03306 -0.50401 0.26866
|
|
212 12D-1 0.05823 0.25283 0.24846 -0.11041 0.06480
|
|
213 12D+2 0.58139 0.68132 0.72155 -0.25262 0.32851
|
|
214 12D-2 0.05558 0.54288 0.24310 -0.15113 0.04958
|
|
215 13F 0 0.00161 0.00847 0.00474 -0.00414 0.00600
|
|
216 13F+1 0.00119 -0.00632 -0.00505 0.00362 -0.00402
|
|
217 13F-1 -0.00026 -0.00096 -0.00305 0.00086 -0.00090
|
|
218 13F+2 -0.00095 -0.01600 -0.00993 0.00751 -0.01169
|
|
219 13F-2 -0.00113 -0.00616 0.00032 0.00111 -0.00365
|
|
220 13F+3 -0.00035 -0.00922 -0.00675 0.00376 -0.00705
|
|
221 13F-3 -0.00150 -0.00515 -0.00310 0.00206 -0.00387
|
|
222 14F 0 0.08413 0.08449 0.09019 -0.05648 0.06027
|
|
223 14F+1 -0.07687 -0.01681 -0.06948 0.07194 0.00617
|
|
224 14F-1 -0.01120 -0.01012 -0.00278 0.01531 0.00402
|
|
225 14F+2 -0.16976 -0.11039 -0.14976 0.11135 -0.08198
|
|
226 14F-2 -0.04167 -0.07746 -0.06758 0.06194 -0.02195
|
|
227 14F+3 -0.10330 -0.06229 -0.07017 0.04848 -0.06812
|
|
228 14F-3 -0.03988 -0.07835 -0.03867 0.04077 -0.02728
|
|
229 15G 0 -0.00563 -0.00412 -0.00672 0.00564 -0.00251
|
|
230 15G+1 -0.00399 -0.00594 -0.00459 0.00195 -0.00538
|
|
231 15G-1 -0.00008 -0.00170 -0.00048 0.00048 -0.00097
|
|
232 15G+2 0.00703 0.00374 0.00797 -0.00697 0.00256
|
|
233 15G-2 0.00197 0.00276 0.00236 -0.00324 0.00069
|
|
234 15G+3 0.00971 0.00651 0.00864 -0.00666 0.00730
|
|
235 15G-3 0.00405 0.00752 0.00422 -0.00502 0.00346
|
|
236 15G+4 0.00500 0.00256 0.00375 -0.00235 0.00496
|
|
237 15G-4 0.00326 0.00545 0.00239 -0.00284 0.00290
|
|
238 4 H 1S 0.00048 -0.01634 0.01715 0.04647 0.04922
|
|
239 2S -0.37518 -0.41957 0.44695 -0.28300 -0.23928
|
|
240 3S 1.52252 5.89759 -4.32132 2.26347 3.16988
|
|
241 4S 4.56825 16.49598 -12.37664 0.89501 1.10944
|
|
242 5S -0.40334 -0.70332 0.09621 1.02308 0.69059
|
|
243 6PX 0.00106 0.00256 -0.00745 -0.01733 -0.01973
|
|
244 6PY 0.00183 -0.00171 0.00386 -0.00559 -0.00615
|
|
245 6PZ 0.00225 -0.00355 0.00628 0.01057 0.01311
|
|
246 7PX -0.07812 -0.07669 0.11388 0.03808 0.05395
|
|
247 7PY -0.02327 -0.00700 -0.01295 0.01912 0.02889
|
|
248 7PZ 0.03586 0.05810 -0.08710 -0.01210 -0.04436
|
|
249 8PX 0.97417 2.23889 -1.83177 0.47565 0.73981
|
|
250 8PY 0.13783 0.48958 -0.18168 0.06535 0.00420
|
|
251 8PZ -0.61438 -1.46085 1.33152 -0.48431 -0.32678
|
|
252 9PX 2.45905 6.06206 -4.98771 1.78547 1.94656
|
|
253 9PY -0.31884 2.18042 -1.18105 0.63298 0.64128
|
|
254 9PZ -2.08290 -3.39301 3.59678 -1.49207 -0.78475
|
|
255 10D 0 0.00195 0.00054 0.00046 -0.00189 0.00222
|
|
256 10D+1 0.01664 0.01133 -0.01621 0.01415 0.01055
|
|
257 10D-1 0.00260 0.00520 0.00124 0.00454 -0.00255
|
|
258 10D+2 -0.01264 -0.01039 0.00962 -0.00933 -0.00971
|
|
259 10D-2 -0.00668 0.00178 0.00363 -0.00343 -0.00369
|
|
260 11D 0 -0.01292 -0.01655 -0.00253 0.01303 -0.02649
|
|
261 11D+1 -0.14291 -0.21723 0.19250 -0.16228 -0.15903
|
|
262 11D-1 -0.02302 -0.05975 0.01399 -0.03930 -0.00552
|
|
263 11D+2 0.10666 0.16994 -0.12623 0.10224 0.13707
|
|
264 11D-2 0.04569 0.05049 -0.04177 0.04085 0.04449
|
|
265 12D 0 0.04363 -0.18965 -0.01593 0.08033 -0.16328
|
|
266 12D+1 -0.77890 -0.91996 1.03306 -0.50401 -0.26866
|
|
267 12D-1 -0.05823 -0.25283 0.24846 -0.11041 -0.06480
|
|
268 12D+2 0.58139 0.68132 -0.72155 0.25262 0.32851
|
|
269 12D-2 0.05558 0.54288 -0.24310 0.15113 0.04958
|
|
270 13F 0 0.00161 0.00847 -0.00474 0.00414 0.00600
|
|
271 13F+1 -0.00119 0.00632 -0.00505 0.00362 0.00402
|
|
272 13F-1 0.00026 0.00096 -0.00305 0.00086 0.00090
|
|
273 13F+2 -0.00095 -0.01600 0.00993 -0.00751 -0.01169
|
|
274 13F-2 -0.00113 -0.00616 -0.00032 -0.00111 -0.00365
|
|
275 13F+3 0.00035 0.00922 -0.00675 0.00376 0.00705
|
|
276 13F-3 0.00150 0.00515 -0.00310 0.00206 0.00387
|
|
277 14F 0 0.08413 0.08449 -0.09019 0.05648 0.06027
|
|
278 14F+1 0.07687 0.01681 -0.06948 0.07194 -0.00617
|
|
279 14F-1 0.01120 0.01012 -0.00278 0.01531 -0.00402
|
|
280 14F+2 -0.16976 -0.11039 0.14976 -0.11135 -0.08198
|
|
281 14F-2 -0.04167 -0.07746 0.06758 -0.06194 -0.02195
|
|
282 14F+3 0.10330 0.06229 -0.07017 0.04848 0.06812
|
|
283 14F-3 0.03988 0.07835 -0.03867 0.04077 0.02728
|
|
284 15G 0 -0.00563 -0.00412 0.00672 -0.00564 -0.00251
|
|
285 15G+1 0.00399 0.00594 -0.00459 0.00195 0.00538
|
|
286 15G-1 0.00008 0.00170 -0.00048 0.00048 0.00097
|
|
287 15G+2 0.00703 0.00374 -0.00797 0.00697 0.00256
|
|
288 15G-2 0.00197 0.00276 -0.00236 0.00324 0.00069
|
|
289 15G+3 -0.00971 -0.00651 0.00864 -0.00666 -0.00730
|
|
290 15G-3 -0.00405 -0.00752 0.00422 -0.00502 -0.00346
|
|
291 15G+4 0.00500 0.00256 -0.00375 0.00235 0.00496
|
|
292 15G-4 0.00326 0.00545 -0.00239 0.00284 0.00290
|
|
31 32 33 34 35
|
|
V V V V V
|
|
Eigenvalues -- 1.13088 1.16531 1.17664 1.19958 1.24118
|
|
1 1 O 1S -0.00793 0.00022 -0.00115 -0.00756 -0.00236
|
|
2 2S 0.01908 -0.00333 0.00333 0.02085 0.01616
|
|
3 3S 0.01921 -0.00454 0.00609 0.03879 0.05083
|
|
4 4S -0.05321 -0.17495 -0.15857 -0.36755 -0.28621
|
|
5 5S 0.15054 0.95543 1.16727 1.27196 0.36471
|
|
6 6S -2.23249 3.75817 3.95900 5.65428 6.88179
|
|
7 7PX 0.00567 0.02696 -0.00151 0.04077 0.01869
|
|
8 7PY 0.00515 0.00144 -0.01441 -0.02374 -0.05204
|
|
9 7PZ 0.00885 0.01868 0.00378 0.01537 0.01749
|
|
10 8PX -0.00242 -0.03339 -0.02381 0.02274 -0.02218
|
|
11 8PY -0.02275 0.01636 0.00721 -0.07673 -0.10273
|
|
12 8PZ 0.02133 0.03567 -0.04171 -0.03823 0.03081
|
|
13 9PX 0.02891 0.39213 0.23470 0.36882 0.34675
|
|
14 9PY 0.11623 -0.02525 -0.03632 0.15084 0.14253
|
|
15 9PZ 0.00216 0.10658 0.27049 0.29499 0.15293
|
|
16 10PX -0.46280 2.40092 0.27548 0.69398 0.00330
|
|
17 10PY 0.78932 -0.02942 -1.81273 -0.25593 -3.37049
|
|
18 10PZ -0.41073 -0.10606 1.08198 1.72151 -1.22337
|
|
19 11PX 0.09173 0.94972 0.58532 0.28409 0.28119
|
|
20 11PY 0.69757 -0.32808 -0.83065 -0.41871 -1.67955
|
|
21 11PZ -0.69690 0.20217 0.10184 0.86541 0.13939
|
|
22 12D 0 0.00105 0.00065 0.00229 -0.00032 0.00138
|
|
23 12D+1 -0.00016 -0.00141 -0.00323 -0.00208 -0.00629
|
|
24 12D-1 -0.00456 0.00047 -0.00297 0.00416 0.00074
|
|
25 12D+2 -0.00175 0.00119 0.00060 -0.00187 -0.00309
|
|
26 12D-2 0.00393 -0.00040 0.00159 -0.00054 0.00172
|
|
27 13D 0 -0.01114 -0.01678 -0.01149 0.00800 -0.02032
|
|
28 13D+1 -0.00692 -0.00145 0.02251 0.00849 0.03637
|
|
29 13D-1 0.04633 -0.01417 0.01781 -0.02871 -0.00880
|
|
30 13D+2 0.00528 -0.00476 -0.00991 -0.00404 0.01350
|
|
31 13D-2 -0.02750 -0.00132 -0.03360 0.00835 -0.01516
|
|
32 14D 0 -0.01024 -0.13281 0.11130 0.07663 -0.07496
|
|
33 14D+1 -0.01483 0.06354 0.11836 0.17453 -0.09371
|
|
34 14D-1 -0.02296 -0.01191 -0.08476 0.20013 0.04556
|
|
35 14D+2 -0.02477 0.21475 0.10032 -0.00932 0.02983
|
|
36 14D-2 0.17124 0.01196 -0.02874 0.12305 0.11772
|
|
37 15D 0 -0.41670 -1.39693 0.34971 0.54102 -2.22683
|
|
38 15D+1 -0.36300 0.14884 0.81467 0.99488 -0.33634
|
|
39 15D-1 0.93849 -0.52862 -0.21173 0.44119 0.08560
|
|
40 15D+2 -0.13900 1.23574 -0.51327 -1.21590 -1.52537
|
|
41 15D-2 0.43923 -0.06808 -1.26515 0.95995 0.26570
|
|
42 16F 0 0.00008 0.00167 0.00150 0.00012 0.00155
|
|
43 16F+1 0.00095 0.00304 -0.00253 -0.00445 0.00245
|
|
44 16F-1 -0.00043 0.00080 0.00006 -0.00151 0.00331
|
|
45 16F+2 -0.00138 -0.00127 -0.00277 -0.00131 -0.00006
|
|
46 16F-2 -0.00336 0.00040 -0.00076 -0.00318 -0.00182
|
|
47 16F+3 -0.00008 -0.00310 -0.00089 0.00030 -0.00047
|
|
48 16F-3 -0.00119 -0.00073 0.00341 -0.00165 -0.00077
|
|
49 17F 0 -0.00131 -0.01618 -0.01323 -0.00494 -0.01330
|
|
50 17F+1 -0.00502 -0.01841 0.01953 0.02877 -0.01351
|
|
51 17F-1 0.00390 -0.00318 0.00022 0.00932 -0.02337
|
|
52 17F+2 0.00654 0.01389 0.02403 0.01630 0.00572
|
|
53 17F-2 0.01965 -0.00027 0.00278 0.02282 0.01110
|
|
54 17F+3 0.00144 0.02253 0.00900 -0.00078 0.00555
|
|
55 17F-3 0.00670 0.00480 -0.01928 0.01068 0.00283
|
|
56 18F 0 -0.03872 -0.17885 0.08497 -0.00934 -0.06831
|
|
57 18F+1 -0.08843 -0.31459 0.23097 0.28426 -0.29644
|
|
58 18F-1 0.01901 -0.10873 0.05277 0.15478 0.20645
|
|
59 18F+2 -0.09525 0.15087 0.10122 0.02479 -0.10180
|
|
60 18F-2 0.16427 -0.10871 -0.19038 0.27281 0.06270
|
|
61 18F+3 -0.09332 0.25292 0.03051 -0.18029 0.01908
|
|
62 18F-3 0.17048 0.03450 -0.13901 0.29168 0.37287
|
|
63 19G 0 -0.00096 -0.00193 0.00062 0.00142 -0.00495
|
|
64 19G+1 0.00055 0.00452 -0.00306 -0.00387 0.00353
|
|
65 19G-1 0.00185 0.00013 0.00020 -0.00042 0.00033
|
|
66 19G+2 0.00122 0.00366 -0.00199 -0.00287 0.00043
|
|
67 19G-2 -0.00131 0.00318 -0.00020 -0.00161 0.00010
|
|
68 19G+3 0.00114 -0.00070 -0.00005 0.00326 0.00184
|
|
69 19G-3 -0.00205 0.00154 0.00372 -0.00254 -0.00133
|
|
70 19G+4 0.00055 -0.00210 0.00023 0.00067 -0.00286
|
|
71 19G-4 -0.00245 0.00041 0.00197 0.00010 -0.00065
|
|
72 20G 0 0.00616 0.01872 -0.01817 -0.03026 0.03942
|
|
73 20G+1 -0.01238 -0.06678 0.02994 0.03471 -0.04664
|
|
74 20G-1 -0.01577 -0.00713 0.00579 -0.00006 -0.00992
|
|
75 20G+2 -0.01468 -0.03497 0.03743 0.04727 -0.01951
|
|
76 20G-2 0.01773 -0.03352 0.00259 0.03590 -0.00389
|
|
77 20G+3 -0.01439 0.03056 0.01759 -0.02357 -0.01436
|
|
78 20G-3 0.03343 -0.00920 -0.03900 0.05090 0.02532
|
|
79 20G+4 -0.01159 0.03514 0.00761 -0.01852 0.02287
|
|
80 20G-4 0.02990 0.00647 -0.02772 0.01412 0.02101
|
|
81 21H 0 0.00033 0.00586 -0.00361 -0.00372 0.00450
|
|
82 21H+1 -0.00038 -0.00157 -0.00079 -0.00248 -0.00064
|
|
83 21H-1 -0.00170 0.00006 0.00062 -0.00216 -0.00232
|
|
84 21H+2 -0.00289 -0.00647 0.00253 0.00516 -0.00456
|
|
85 21H-2 -0.00054 -0.00270 0.00195 0.00121 -0.00257
|
|
86 21H+3 -0.00157 -0.00085 0.00383 0.00184 -0.00383
|
|
87 21H-3 0.00276 -0.00342 -0.00045 0.00539 -0.00092
|
|
88 21H+4 -0.00286 0.00474 0.00097 -0.00369 -0.00132
|
|
89 21H-4 0.00314 0.00068 -0.00459 0.00562 0.00363
|
|
90 21H+5 -0.00034 0.00191 0.00198 -0.00501 -0.00119
|
|
91 21H-5 0.00162 0.00177 -0.00261 -0.00013 0.00105
|
|
92 2 O 1S -0.00793 0.00022 0.00115 0.00756 0.00236
|
|
93 2S 0.01908 -0.00333 -0.00333 -0.02085 -0.01616
|
|
94 3S 0.01921 -0.00454 -0.00609 -0.03879 -0.05083
|
|
95 4S -0.05321 -0.17495 0.15857 0.36755 0.28621
|
|
96 5S 0.15054 0.95543 -1.16727 -1.27196 -0.36471
|
|
97 6S -2.23249 3.75817 -3.95900 -5.65428 -6.88179
|
|
98 7PX -0.00567 -0.02696 -0.00151 0.04077 0.01869
|
|
99 7PY -0.00515 -0.00144 -0.01441 -0.02374 -0.05204
|
|
100 7PZ 0.00885 0.01868 -0.00378 -0.01537 -0.01749
|
|
101 8PX 0.00242 0.03339 -0.02381 0.02274 -0.02218
|
|
102 8PY 0.02275 -0.01636 0.00721 -0.07673 -0.10273
|
|
103 8PZ 0.02133 0.03567 0.04171 0.03823 -0.03081
|
|
104 9PX -0.02891 -0.39213 0.23470 0.36882 0.34675
|
|
105 9PY -0.11623 0.02525 -0.03632 0.15084 0.14253
|
|
106 9PZ 0.00216 0.10658 -0.27049 -0.29499 -0.15293
|
|
107 10PX 0.46280 -2.40092 0.27548 0.69398 0.00330
|
|
108 10PY -0.78932 0.02942 -1.81273 -0.25593 -3.37049
|
|
109 10PZ -0.41073 -0.10606 -1.08198 -1.72151 1.22337
|
|
110 11PX -0.09173 -0.94972 0.58532 0.28409 0.28119
|
|
111 11PY -0.69757 0.32808 -0.83065 -0.41871 -1.67955
|
|
112 11PZ -0.69690 0.20217 -0.10184 -0.86541 -0.13939
|
|
113 12D 0 0.00105 0.00065 -0.00229 0.00032 -0.00138
|
|
114 12D+1 0.00016 0.00141 -0.00323 -0.00208 -0.00629
|
|
115 12D-1 0.00456 -0.00047 -0.00297 0.00416 0.00074
|
|
116 12D+2 -0.00175 0.00119 -0.00060 0.00187 0.00309
|
|
117 12D-2 0.00393 -0.00040 -0.00159 0.00054 -0.00172
|
|
118 13D 0 -0.01114 -0.01678 0.01149 -0.00800 0.02032
|
|
119 13D+1 0.00692 0.00145 0.02251 0.00849 0.03637
|
|
120 13D-1 -0.04633 0.01417 0.01781 -0.02871 -0.00880
|
|
121 13D+2 0.00528 -0.00476 0.00991 0.00404 -0.01350
|
|
122 13D-2 -0.02750 -0.00132 0.03360 -0.00835 0.01516
|
|
123 14D 0 -0.01024 -0.13281 -0.11130 -0.07663 0.07496
|
|
124 14D+1 0.01483 -0.06354 0.11836 0.17453 -0.09371
|
|
125 14D-1 0.02296 0.01191 -0.08476 0.20013 0.04556
|
|
126 14D+2 -0.02477 0.21475 -0.10032 0.00932 -0.02983
|
|
127 14D-2 0.17124 0.01196 0.02874 -0.12305 -0.11772
|
|
128 15D 0 -0.41670 -1.39693 -0.34971 -0.54102 2.22683
|
|
129 15D+1 0.36300 -0.14884 0.81467 0.99488 -0.33634
|
|
130 15D-1 -0.93849 0.52862 -0.21173 0.44119 0.08560
|
|
131 15D+2 -0.13900 1.23574 0.51327 1.21590 1.52537
|
|
132 15D-2 0.43923 -0.06808 1.26515 -0.95995 -0.26570
|
|
133 16F 0 0.00008 0.00167 -0.00150 -0.00012 -0.00155
|
|
134 16F+1 -0.00095 -0.00304 -0.00253 -0.00445 0.00245
|
|
135 16F-1 0.00043 -0.00080 0.00006 -0.00151 0.00331
|
|
136 16F+2 -0.00138 -0.00127 0.00277 0.00131 0.00006
|
|
137 16F-2 -0.00336 0.00040 0.00076 0.00318 0.00182
|
|
138 16F+3 0.00008 0.00310 -0.00089 0.00030 -0.00047
|
|
139 16F-3 0.00119 0.00073 0.00341 -0.00165 -0.00077
|
|
140 17F 0 -0.00131 -0.01618 0.01323 0.00494 0.01330
|
|
141 17F+1 0.00502 0.01841 0.01953 0.02877 -0.01351
|
|
142 17F-1 -0.00390 0.00318 0.00022 0.00932 -0.02337
|
|
143 17F+2 0.00654 0.01389 -0.02403 -0.01630 -0.00572
|
|
144 17F-2 0.01965 -0.00027 -0.00278 -0.02282 -0.01110
|
|
145 17F+3 -0.00144 -0.02253 0.00900 -0.00078 0.00555
|
|
146 17F-3 -0.00670 -0.00480 -0.01928 0.01068 0.00283
|
|
147 18F 0 -0.03872 -0.17885 -0.08497 0.00934 0.06831
|
|
148 18F+1 0.08843 0.31459 0.23097 0.28426 -0.29644
|
|
149 18F-1 -0.01901 0.10873 0.05277 0.15478 0.20645
|
|
150 18F+2 -0.09525 0.15087 -0.10122 -0.02479 0.10180
|
|
151 18F-2 0.16427 -0.10871 0.19038 -0.27281 -0.06270
|
|
152 18F+3 0.09332 -0.25292 0.03051 -0.18029 0.01908
|
|
153 18F-3 -0.17048 -0.03450 -0.13901 0.29168 0.37287
|
|
154 19G 0 -0.00096 -0.00193 -0.00062 -0.00142 0.00495
|
|
155 19G+1 -0.00055 -0.00452 -0.00306 -0.00387 0.00353
|
|
156 19G-1 -0.00185 -0.00013 0.00020 -0.00042 0.00033
|
|
157 19G+2 0.00122 0.00366 0.00199 0.00287 -0.00043
|
|
158 19G-2 -0.00131 0.00318 0.00020 0.00161 -0.00010
|
|
159 19G+3 -0.00114 0.00070 -0.00005 0.00326 0.00184
|
|
160 19G-3 0.00205 -0.00154 0.00372 -0.00254 -0.00133
|
|
161 19G+4 0.00055 -0.00210 -0.00023 -0.00067 0.00286
|
|
162 19G-4 -0.00245 0.00041 -0.00197 -0.00010 0.00065
|
|
163 20G 0 0.00616 0.01872 0.01817 0.03026 -0.03942
|
|
164 20G+1 0.01238 0.06678 0.02994 0.03471 -0.04664
|
|
165 20G-1 0.01577 0.00713 0.00579 -0.00006 -0.00992
|
|
166 20G+2 -0.01468 -0.03497 -0.03743 -0.04727 0.01951
|
|
167 20G-2 0.01773 -0.03352 -0.00259 -0.03590 0.00389
|
|
168 20G+3 0.01439 -0.03056 0.01759 -0.02357 -0.01436
|
|
169 20G-3 -0.03343 0.00920 -0.03900 0.05090 0.02532
|
|
170 20G+4 -0.01159 0.03514 -0.00761 0.01852 -0.02287
|
|
171 20G-4 0.02990 0.00647 0.02772 -0.01412 -0.02101
|
|
172 21H 0 0.00033 0.00586 0.00361 0.00372 -0.00450
|
|
173 21H+1 0.00038 0.00157 -0.00079 -0.00248 -0.00064
|
|
174 21H-1 0.00170 -0.00006 0.00062 -0.00216 -0.00232
|
|
175 21H+2 -0.00289 -0.00647 -0.00253 -0.00516 0.00456
|
|
176 21H-2 -0.00054 -0.00270 -0.00195 -0.00121 0.00257
|
|
177 21H+3 0.00157 0.00085 0.00383 0.00184 -0.00383
|
|
178 21H-3 -0.00276 0.00342 -0.00045 0.00539 -0.00092
|
|
179 21H+4 -0.00286 0.00474 -0.00097 0.00369 0.00132
|
|
180 21H-4 0.00314 0.00068 0.00459 -0.00562 -0.00363
|
|
181 21H+5 0.00034 -0.00191 0.00198 -0.00501 -0.00119
|
|
182 21H-5 -0.00162 -0.00177 -0.00261 -0.00013 0.00105
|
|
183 3 H 1S -0.00715 -0.01503 -0.00628 -0.01527 -0.00826
|
|
184 2S -0.00810 0.11355 0.12972 0.11211 0.06083
|
|
185 3S -0.35175 -2.44192 -0.73455 -2.62051 0.11391
|
|
186 4S 2.94756 -2.92868 -2.43970 -1.82322 -0.43576
|
|
187 5S -0.32577 -0.06311 0.03394 -0.22118 0.22861
|
|
188 6PX -0.00553 -0.00823 0.00253 -0.00925 -0.00730
|
|
189 6PY -0.00076 -0.00216 0.00022 -0.00541 -0.00370
|
|
190 6PZ -0.00514 -0.00322 -0.00164 -0.01130 0.00081
|
|
191 7PX 0.02844 0.04856 -0.04528 0.00441 0.03752
|
|
192 7PY 0.02540 -0.00826 -0.03758 0.04936 0.02854
|
|
193 7PZ 0.02242 -0.03292 0.01601 0.06975 -0.04171
|
|
194 8PX -0.03368 0.10681 0.54112 0.95527 -0.26758
|
|
195 8PY -0.37523 0.31617 0.48898 -0.37191 -0.33952
|
|
196 8PZ 0.05590 0.93054 -0.13218 -0.08296 0.49037
|
|
197 9PX -0.90207 0.32190 1.07225 1.77566 -0.39193
|
|
198 9PY -1.74579 1.04423 1.77033 -0.68932 -0.30036
|
|
199 9PZ 0.14192 2.09067 0.06865 -0.19601 0.78846
|
|
200 10D 0 0.00028 0.00802 -0.01167 -0.00989 0.00321
|
|
201 10D+1 0.00261 0.01001 0.00385 0.00564 0.01314
|
|
202 10D-1 0.00849 0.00898 0.00921 -0.00482 -0.01046
|
|
203 10D+2 0.00349 -0.00510 0.00034 0.00983 -0.00458
|
|
204 10D-2 -0.01263 -0.00038 0.00435 -0.00558 -0.00325
|
|
205 11D 0 -0.01056 -0.08268 0.07833 0.08599 -0.05413
|
|
206 11D+1 -0.04153 -0.12390 -0.02647 -0.09046 -0.09137
|
|
207 11D-1 -0.01887 -0.07168 -0.05462 0.03327 0.05516
|
|
208 11D+2 -0.03504 0.01423 -0.03346 -0.13717 0.01812
|
|
209 11D-2 0.07484 -0.02516 -0.05863 0.02998 0.04346
|
|
210 12D 0 -0.19379 -0.63498 0.37201 0.44808 -0.51442
|
|
211 12D+1 -0.02752 -0.42363 0.02617 0.03678 -0.34996
|
|
212 12D-1 0.43349 -0.25865 -0.28779 0.41665 -0.11153
|
|
213 12D+2 -0.00696 0.37199 -0.19071 -0.57413 0.02740
|
|
214 12D-2 0.41287 -0.26469 -0.70260 0.28979 0.32657
|
|
215 13F 0 -0.00065 -0.00251 0.00222 -0.00478 0.00471
|
|
216 13F+1 0.00066 0.00399 0.00030 0.00011 0.00234
|
|
217 13F-1 -0.00316 0.00227 0.00099 0.00118 -0.00109
|
|
218 13F+2 0.00327 0.00611 0.00496 0.00627 0.00038
|
|
219 13F-2 0.00030 0.00297 -0.00255 0.00398 -0.00219
|
|
220 13F+3 -0.00069 0.00447 0.00514 0.00746 0.00208
|
|
221 13F-3 0.00255 0.00269 0.00405 0.00068 -0.00260
|
|
222 14F 0 0.01483 0.02757 -0.07958 -0.05442 -0.00362
|
|
223 14F+1 0.04595 0.17745 -0.09162 -0.10534 0.14072
|
|
224 14F-1 0.00878 0.04308 -0.01181 -0.05461 0.03603
|
|
225 14F+2 0.03256 0.00764 -0.01738 0.08035 0.06754
|
|
226 14F-2 -0.08386 0.07811 0.12114 -0.10517 -0.01357
|
|
227 14F+3 0.04674 -0.09733 -0.01664 0.11297 0.00453
|
|
228 14F-3 -0.09011 0.01234 0.10282 -0.02805 -0.05429
|
|
229 15G 0 0.00112 0.00726 -0.00157 -0.00281 0.00554
|
|
230 15G+1 -0.00275 -0.00872 0.00770 0.00960 -0.00699
|
|
231 15G-1 -0.00174 -0.00066 0.00428 0.00032 -0.00247
|
|
232 15G+2 -0.00381 -0.01009 0.00464 0.00317 -0.00853
|
|
233 15G-2 0.00235 -0.00709 -0.00080 0.00657 -0.00359
|
|
234 15G+3 -0.00506 0.00291 0.00238 -0.01026 -0.00437
|
|
235 15G-3 0.00661 -0.00503 -0.00883 0.00517 0.00176
|
|
236 15G+4 -0.00383 0.00576 0.00175 -0.00903 -0.00217
|
|
237 15G-4 0.00368 0.00055 -0.00696 0.00020 0.00383
|
|
238 4 H 1S -0.00715 -0.01503 0.00628 0.01527 0.00826
|
|
239 2S -0.00810 0.11355 -0.12972 -0.11211 -0.06083
|
|
240 3S -0.35175 -2.44192 0.73455 2.62051 -0.11391
|
|
241 4S 2.94756 -2.92868 2.43970 1.82322 0.43576
|
|
242 5S -0.32577 -0.06311 -0.03394 0.22118 -0.22861
|
|
243 6PX 0.00553 0.00823 0.00253 -0.00925 -0.00730
|
|
244 6PY 0.00076 0.00216 0.00022 -0.00541 -0.00370
|
|
245 6PZ -0.00514 -0.00322 0.00164 0.01130 -0.00081
|
|
246 7PX -0.02844 -0.04856 -0.04528 0.00441 0.03752
|
|
247 7PY -0.02540 0.00826 -0.03758 0.04936 0.02854
|
|
248 7PZ 0.02242 -0.03292 -0.01601 -0.06975 0.04171
|
|
249 8PX 0.03368 -0.10681 0.54112 0.95527 -0.26758
|
|
250 8PY 0.37523 -0.31617 0.48898 -0.37191 -0.33952
|
|
251 8PZ 0.05590 0.93054 0.13218 0.08296 -0.49037
|
|
252 9PX 0.90207 -0.32190 1.07225 1.77566 -0.39193
|
|
253 9PY 1.74579 -1.04423 1.77033 -0.68932 -0.30036
|
|
254 9PZ 0.14192 2.09067 -0.06865 0.19601 -0.78846
|
|
255 10D 0 0.00028 0.00802 0.01167 0.00989 -0.00321
|
|
256 10D+1 -0.00261 -0.01001 0.00385 0.00564 0.01314
|
|
257 10D-1 -0.00849 -0.00898 0.00921 -0.00482 -0.01046
|
|
258 10D+2 0.00349 -0.00510 -0.00034 -0.00983 0.00458
|
|
259 10D-2 -0.01263 -0.00038 -0.00435 0.00558 0.00325
|
|
260 11D 0 -0.01056 -0.08268 -0.07833 -0.08599 0.05413
|
|
261 11D+1 0.04153 0.12390 -0.02647 -0.09046 -0.09137
|
|
262 11D-1 0.01887 0.07168 -0.05462 0.03327 0.05516
|
|
263 11D+2 -0.03504 0.01423 0.03346 0.13717 -0.01812
|
|
264 11D-2 0.07484 -0.02516 0.05863 -0.02998 -0.04346
|
|
265 12D 0 -0.19379 -0.63498 -0.37201 -0.44808 0.51442
|
|
266 12D+1 0.02752 0.42363 0.02617 0.03678 -0.34996
|
|
267 12D-1 -0.43349 0.25865 -0.28779 0.41665 -0.11153
|
|
268 12D+2 -0.00696 0.37199 0.19071 0.57413 -0.02740
|
|
269 12D-2 0.41287 -0.26469 0.70260 -0.28979 -0.32657
|
|
270 13F 0 -0.00065 -0.00251 -0.00222 0.00478 -0.00471
|
|
271 13F+1 -0.00066 -0.00399 0.00030 0.00011 0.00234
|
|
272 13F-1 0.00316 -0.00227 0.00099 0.00118 -0.00109
|
|
273 13F+2 0.00327 0.00611 -0.00496 -0.00627 -0.00038
|
|
274 13F-2 0.00030 0.00297 0.00255 -0.00398 0.00219
|
|
275 13F+3 0.00069 -0.00447 0.00514 0.00746 0.00208
|
|
276 13F-3 -0.00255 -0.00269 0.00405 0.00068 -0.00260
|
|
277 14F 0 0.01483 0.02757 0.07958 0.05442 0.00362
|
|
278 14F+1 -0.04595 -0.17745 -0.09162 -0.10534 0.14072
|
|
279 14F-1 -0.00878 -0.04308 -0.01181 -0.05461 0.03603
|
|
280 14F+2 0.03256 0.00764 0.01738 -0.08035 -0.06754
|
|
281 14F-2 -0.08386 0.07811 -0.12114 0.10517 0.01357
|
|
282 14F+3 -0.04674 0.09733 -0.01664 0.11297 0.00453
|
|
283 14F-3 0.09011 -0.01234 0.10282 -0.02805 -0.05429
|
|
284 15G 0 0.00112 0.00726 0.00157 0.00281 -0.00554
|
|
285 15G+1 0.00275 0.00872 0.00770 0.00960 -0.00699
|
|
286 15G-1 0.00174 0.00066 0.00428 0.00032 -0.00247
|
|
287 15G+2 -0.00381 -0.01009 -0.00464 -0.00317 0.00853
|
|
288 15G-2 0.00235 -0.00709 0.00080 -0.00657 0.00359
|
|
289 15G+3 0.00506 -0.00291 0.00238 -0.01026 -0.00437
|
|
290 15G-3 -0.00661 0.00503 -0.00883 0.00517 0.00176
|
|
291 15G+4 -0.00383 0.00576 -0.00175 0.00903 0.00217
|
|
292 15G-4 0.00368 0.00055 0.00696 -0.00020 -0.00383
|
|
36 37 38 39 40
|
|
V V V V V
|
|
Eigenvalues -- 1.28206 1.31525 1.36015 1.43592 1.44014
|
|
1 1 O 1S 0.01195 0.00433 0.00129 0.00310 0.00085
|
|
2 2S -0.03001 -0.00594 0.00006 -0.00586 -0.01278
|
|
3 3S -0.04036 0.01620 0.00366 -0.01308 -0.05259
|
|
4 4S 0.29576 -0.11183 0.03806 0.13612 0.42895
|
|
5 5S -1.49363 -0.85790 0.21418 -0.02713 -2.04438
|
|
6 6S 0.65771 2.23249 0.17176 -0.33980 -2.64436
|
|
7 7PX -0.02832 0.02831 -0.00967 -0.06020 -0.02008
|
|
8 7PY -0.03086 -0.01313 -0.03036 -0.02916 -0.03593
|
|
9 7PZ 0.00029 0.02093 -0.05028 0.01315 -0.01889
|
|
10 8PX -0.03136 0.03892 0.00670 -0.02184 0.03491
|
|
11 8PY -0.11711 -0.01801 -0.07755 -0.05176 -0.05725
|
|
12 8PZ 0.02080 -0.00247 -0.04617 0.03014 0.03968
|
|
13 9PX -0.09908 -0.08964 0.01710 -0.19358 -0.44377
|
|
14 9PY 0.17990 -0.06381 0.08257 0.10928 -0.10918
|
|
15 9PZ -0.04956 0.07093 -0.14677 0.12631 -0.32929
|
|
16 10PX -0.80442 1.15919 -1.57329 -1.84144 -0.59498
|
|
17 10PY 1.46514 0.47744 -0.50146 -3.18112 -0.19717
|
|
18 10PZ -0.76797 0.94401 -0.76891 -1.77226 -1.40366
|
|
19 11PX -0.15317 0.86507 -0.66132 -1.07286 -0.33726
|
|
20 11PY -0.84329 -0.48020 -0.64812 -1.19273 -0.65120
|
|
21 11PZ 0.04435 0.53349 -1.01725 0.02554 -0.38958
|
|
22 12D 0 0.00050 0.00495 0.00091 -0.00481 -0.00047
|
|
23 12D+1 -0.00087 -0.00475 0.00267 -0.00296 0.00200
|
|
24 12D-1 0.00540 0.00148 -0.00210 0.00455 0.00268
|
|
25 12D+2 0.00439 0.00416 -0.00369 0.00102 0.00106
|
|
26 12D-2 0.00180 0.00264 0.00540 0.00091 0.00366
|
|
27 13D 0 -0.01694 -0.03180 -0.00862 0.03197 -0.00177
|
|
28 13D+1 0.00741 0.03859 -0.01770 0.01778 -0.01309
|
|
29 13D-1 -0.03327 -0.00885 0.02499 -0.03567 -0.01713
|
|
30 13D+2 -0.04398 -0.03821 0.02127 -0.01166 -0.00429
|
|
31 13D-2 -0.00563 -0.02494 -0.02814 -0.00339 -0.03159
|
|
32 14D 0 0.02144 0.14202 0.04828 -0.13395 -0.02254
|
|
33 14D+1 -0.09640 -0.05497 0.00512 -0.11210 -0.13003
|
|
34 14D-1 0.16516 0.03905 0.02651 0.09726 0.03209
|
|
35 14D+2 0.12826 0.08741 -0.17349 0.02733 -0.03777
|
|
36 14D-2 0.13349 0.08052 0.19796 0.03584 0.08903
|
|
37 15D 0 -0.80297 -0.05932 -0.24529 -0.53118 -0.51401
|
|
38 15D+1 -0.82494 1.62187 -1.09082 -1.46128 -1.14903
|
|
39 15D-1 0.22077 0.08930 1.56171 -1.30500 -0.42345
|
|
40 15D+2 -1.30143 -0.23916 -1.86270 -2.51706 -0.60898
|
|
41 15D-2 1.35306 -0.77762 0.52360 -0.35253 -1.63467
|
|
42 16F 0 0.00047 -0.00140 0.00201 0.00050 -0.00227
|
|
43 16F+1 0.00248 -0.00129 -0.00247 0.00215 -0.00048
|
|
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|
|
276 13F-3 -0.00077 -0.00444 -0.00211 -0.00782 0.00146
|
|
277 14F 0 0.00987 -0.01997 0.02822 0.01378 -0.00453
|
|
278 14F+1 -0.07438 0.07386 -0.01946 0.08588 -0.04431
|
|
279 14F-1 0.03167 0.02624 -0.02101 -0.00097 -0.01842
|
|
280 14F+2 0.06639 -0.03952 -0.09086 -0.08033 -0.03176
|
|
281 14F-2 -0.10222 -0.03746 0.10068 -0.01181 -0.03309
|
|
282 14F+3 -0.03859 0.01520 0.14033 -0.00277 0.04894
|
|
283 14F-3 0.13433 0.02745 -0.08625 0.01506 0.06560
|
|
284 15G 0 0.00064 -0.00160 0.00228 -0.00199 0.00116
|
|
285 15G+1 0.00531 -0.00311 0.00257 -0.00484 0.00365
|
|
286 15G-1 0.00267 -0.00113 -0.00190 -0.00061 -0.00023
|
|
287 15G+2 -0.00564 0.00285 -0.00061 0.00495 -0.00146
|
|
288 15G-2 0.00214 0.00228 -0.00577 0.00186 -0.00015
|
|
289 15G+3 0.00578 0.00064 -0.00847 -0.00197 -0.00194
|
|
290 15G-3 -0.00893 -0.00124 0.00907 -0.00014 -0.00367
|
|
291 15G+4 -0.00657 -0.00101 0.00898 -0.00025 0.00063
|
|
292 15G-4 0.00661 0.00050 -0.00353 -0.00126 0.00591
|
|
41 42 43 44 45
|
|
V V V V V
|
|
Eigenvalues -- 1.44866 1.58610 1.61596 1.64537 1.69135
|
|
1 1 O 1S 0.01313 -0.00216 -0.01043 -0.00005 -0.00035
|
|
2 2S -0.03944 0.00964 0.03531 -0.00399 -0.00181
|
|
3 3S -0.07736 0.01568 0.08789 -0.01066 -0.00816
|
|
4 4S 0.55577 0.00028 -0.74625 -0.20407 -0.04499
|
|
5 5S -2.11493 -0.08317 3.04155 1.96517 0.29883
|
|
6 6S -2.24811 -2.07405 5.63171 2.96208 -0.52575
|
|
7 7PX 0.04149 0.03938 0.02961 -0.02391 -0.02469
|
|
8 7PY -0.00158 -0.00462 -0.00357 0.00107 0.04468
|
|
9 7PZ -0.07014 -0.06538 -0.04001 -0.01014 0.00289
|
|
10 8PX 0.08315 0.04834 -0.03807 -0.05933 -0.05479
|
|
11 8PY 0.02291 -0.00966 -0.01496 0.01306 0.02780
|
|
12 8PZ -0.02735 -0.04196 -0.06865 -0.07194 0.01573
|
|
13 9PX 0.12052 0.26194 0.36255 0.20983 -0.00251
|
|
14 9PY -0.06346 0.09918 -0.00364 0.02659 0.31121
|
|
15 9PZ -0.47265 -0.41571 -0.11139 0.34129 0.00018
|
|
16 10PX -3.42279 -2.73642 3.11776 1.52444 1.80127
|
|
17 10PY -0.95771 -2.39883 1.78389 0.07988 -1.41639
|
|
18 10PZ 0.14909 1.40786 3.36986 0.85925 -0.51647
|
|
19 11PX 0.22186 -0.29705 1.26134 0.06168 -0.42599
|
|
20 11PY -0.60810 -0.30693 0.51642 -0.24701 -0.14753
|
|
21 11PZ -0.34398 -0.67573 0.20508 0.23939 -0.32623
|
|
22 12D 0 0.00822 0.00877 0.00324 0.00159 -0.00409
|
|
23 12D+1 0.00190 0.00021 0.00439 0.00544 -0.00038
|
|
24 12D-1 -0.00220 0.00087 0.00309 -0.00141 -0.00682
|
|
25 12D+2 -0.00409 -0.00460 -0.00205 -0.00140 0.00856
|
|
26 12D-2 -0.00059 0.00024 0.00513 -0.00383 -0.00203
|
|
27 13D 0 -0.05512 -0.05490 -0.02779 0.00410 0.01483
|
|
28 13D+1 -0.00500 -0.00582 -0.03462 -0.03404 -0.00532
|
|
29 13D-1 0.00878 -0.00971 -0.00926 0.00760 0.04097
|
|
30 13D+2 0.02893 0.02647 0.00895 -0.00467 -0.05591
|
|
31 13D-2 -0.00175 -0.00157 -0.02704 0.01063 0.00869
|
|
32 14D 0 0.31493 0.30862 0.07188 0.04750 -0.14778
|
|
33 14D+1 -0.05766 0.07063 0.33329 0.30229 0.05997
|
|
34 14D-1 -0.08644 0.05602 0.16296 -0.02238 -0.19329
|
|
35 14D+2 -0.23776 -0.15006 0.05449 0.10008 0.33773
|
|
36 14D-2 -0.16774 -0.03566 0.27450 -0.03147 -0.09423
|
|
37 15D 0 0.52287 0.11365 -0.09877 0.29796 -0.67925
|
|
38 15D+1 -0.93162 -0.14991 1.60332 0.19584 -0.12112
|
|
39 15D-1 -0.36017 -1.07890 1.06113 0.85488 -0.15952
|
|
40 15D+2 -1.03058 -1.44496 1.01498 0.04777 0.36592
|
|
41 15D-2 -0.94003 -0.85825 0.76342 -0.05486 -1.13665
|
|
42 16F 0 -0.00294 -0.00296 0.00468 0.00296 -0.00097
|
|
43 16F+1 -0.00558 -0.00683 -0.00461 0.00150 -0.00131
|
|
44 16F-1 -0.00052 -0.00103 -0.00308 0.00384 -0.00302
|
|
45 16F+2 0.00262 -0.00218 -0.00112 -0.00017 -0.00394
|
|
46 16F-2 0.00346 -0.00249 -0.00486 -0.00276 0.00467
|
|
47 16F+3 0.00420 -0.00245 -0.00183 -0.00105 -0.00304
|
|
48 16F-3 0.00362 0.00101 -0.00151 -0.00148 -0.00112
|
|
49 17F 0 0.01949 0.02448 -0.02601 -0.02330 -0.00156
|
|
50 17F+1 0.03066 0.04130 0.02735 0.00444 0.00262
|
|
51 17F-1 0.00132 0.00440 0.01520 -0.02079 0.00232
|
|
52 17F+2 -0.01611 0.02430 0.01625 0.01094 0.02505
|
|
53 17F-2 -0.02474 0.01425 0.03382 0.01150 -0.02611
|
|
54 17F+3 -0.02829 0.01185 0.01089 0.00717 0.02752
|
|
55 17F-3 -0.02841 -0.00626 0.02190 0.01025 -0.00023
|
|
56 18F 0 0.24493 0.00559 -0.09572 0.09117 -0.14639
|
|
57 18F+1 0.24269 0.28497 0.17733 0.14273 -0.25323
|
|
58 18F-1 0.06681 0.08726 0.05567 0.18538 -0.11564
|
|
59 18F+2 -0.16284 -0.19819 0.24414 0.16495 0.10823
|
|
60 18F-2 -0.10832 -0.14331 0.28540 -0.00571 -0.15989
|
|
61 18F+3 -0.14085 -0.21489 -0.00333 0.03904 0.20085
|
|
62 18F-3 -0.20814 -0.18243 0.20784 -0.01978 -0.16606
|
|
63 19G 0 -0.00026 0.00142 0.00219 -0.00259 -0.00209
|
|
64 19G+1 -0.00469 -0.00147 0.00013 -0.00068 0.00121
|
|
65 19G-1 -0.00074 -0.00606 0.00043 0.00167 -0.00130
|
|
66 19G+2 -0.00249 -0.00248 0.00048 0.00101 -0.00098
|
|
67 19G-2 -0.00071 0.00025 -0.00350 -0.00333 -0.00206
|
|
68 19G+3 -0.00005 0.00216 0.00051 0.00123 -0.00088
|
|
69 19G-3 0.00113 -0.00095 -0.00183 0.00154 0.00342
|
|
70 19G+4 -0.00068 0.00229 0.00089 -0.00131 -0.00469
|
|
71 19G-4 0.00143 0.00323 -0.00012 0.00160 0.00023
|
|
72 20G 0 -0.00405 -0.02367 -0.03539 0.00565 0.01113
|
|
73 20G+1 0.07169 0.04513 -0.00141 0.00471 -0.03032
|
|
74 20G-1 0.01597 0.04325 -0.00640 -0.01005 0.00781
|
|
75 20G+2 0.03146 0.04348 0.02480 0.00904 0.00076
|
|
76 20G-2 0.00774 0.00778 0.04150 0.02103 -0.00543
|
|
77 20G+3 -0.02102 -0.01503 0.01182 0.00194 0.03395
|
|
78 20G-3 -0.03277 -0.00439 0.04765 -0.00607 -0.03865
|
|
79 20G+4 -0.01391 -0.02328 -0.00699 0.01223 0.05101
|
|
80 20G-4 -0.03664 -0.03753 0.02240 -0.00540 -0.00994
|
|
81 21H 0 -0.00531 -0.00395 -0.00314 -0.00186 0.00186
|
|
82 21H+1 0.00121 0.00026 -0.00209 -0.00016 -0.00170
|
|
83 21H-1 0.00045 0.00000 -0.00056 -0.00093 0.00002
|
|
84 21H+2 0.00708 0.00885 0.00285 -0.00007 -0.00310
|
|
85 21H-2 0.00319 0.00210 0.00019 0.00044 -0.00065
|
|
86 21H+3 0.00076 0.00331 0.00352 0.00098 0.00246
|
|
87 21H-3 0.00081 0.00092 0.00415 -0.00042 -0.00443
|
|
88 21H+4 -0.00359 0.00014 0.00055 -0.00058 0.00473
|
|
89 21H-4 -0.00408 -0.00389 0.00405 0.00010 -0.00276
|
|
90 21H+5 -0.00257 -0.00099 -0.00089 -0.00041 0.00354
|
|
91 21H-5 -0.00463 -0.00235 0.00291 0.00014 -0.00264
|
|
92 2 O 1S 0.01313 0.00216 -0.01043 0.00005 -0.00035
|
|
93 2S -0.03944 -0.00964 0.03531 0.00399 -0.00181
|
|
94 3S -0.07736 -0.01568 0.08789 0.01066 -0.00816
|
|
95 4S 0.55577 -0.00028 -0.74625 0.20407 -0.04499
|
|
96 5S -2.11493 0.08317 3.04155 -1.96517 0.29883
|
|
97 6S -2.24811 2.07405 5.63171 -2.96208 -0.52575
|
|
98 7PX -0.04149 0.03938 -0.02961 -0.02391 0.02469
|
|
99 7PY 0.00158 -0.00462 0.00357 0.00107 -0.04468
|
|
100 7PZ -0.07014 0.06538 -0.04001 0.01014 0.00289
|
|
101 8PX -0.08315 0.04834 0.03807 -0.05933 0.05479
|
|
102 8PY -0.02291 -0.00966 0.01496 0.01306 -0.02780
|
|
103 8PZ -0.02735 0.04196 -0.06865 0.07194 0.01573
|
|
104 9PX -0.12052 0.26194 -0.36255 0.20983 0.00251
|
|
105 9PY 0.06346 0.09918 0.00364 0.02659 -0.31121
|
|
106 9PZ -0.47265 0.41571 -0.11139 -0.34129 0.00018
|
|
107 10PX 3.42279 -2.73642 -3.11776 1.52444 -1.80127
|
|
108 10PY 0.95771 -2.39883 -1.78389 0.07988 1.41639
|
|
109 10PZ 0.14909 -1.40786 3.36986 -0.85925 -0.51647
|
|
110 11PX -0.22186 -0.29705 -1.26134 0.06168 0.42599
|
|
111 11PY 0.60810 -0.30693 -0.51642 -0.24701 0.14753
|
|
112 11PZ -0.34398 0.67573 0.20508 -0.23939 -0.32623
|
|
113 12D 0 0.00822 -0.00877 0.00324 -0.00159 -0.00409
|
|
114 12D+1 -0.00190 0.00021 -0.00439 0.00544 0.00038
|
|
115 12D-1 0.00220 0.00087 -0.00309 -0.00141 0.00682
|
|
116 12D+2 -0.00409 0.00460 -0.00205 0.00140 0.00856
|
|
117 12D-2 -0.00059 -0.00024 0.00513 0.00383 -0.00203
|
|
118 13D 0 -0.05512 0.05490 -0.02779 -0.00410 0.01483
|
|
119 13D+1 0.00500 -0.00582 0.03462 -0.03404 0.00532
|
|
120 13D-1 -0.00878 -0.00971 0.00926 0.00760 -0.04097
|
|
121 13D+2 0.02893 -0.02647 0.00895 0.00467 -0.05591
|
|
122 13D-2 -0.00175 0.00157 -0.02704 -0.01063 0.00869
|
|
123 14D 0 0.31493 -0.30862 0.07188 -0.04750 -0.14778
|
|
124 14D+1 0.05766 0.07063 -0.33329 0.30229 -0.05997
|
|
125 14D-1 0.08644 0.05602 -0.16296 -0.02238 0.19329
|
|
126 14D+2 -0.23776 0.15006 0.05449 -0.10008 0.33773
|
|
127 14D-2 -0.16774 0.03566 0.27450 0.03147 -0.09423
|
|
128 15D 0 0.52287 -0.11365 -0.09877 -0.29796 -0.67925
|
|
129 15D+1 0.93162 -0.14991 -1.60332 0.19584 0.12112
|
|
130 15D-1 0.36017 -1.07890 -1.06113 0.85488 0.15952
|
|
131 15D+2 -1.03058 1.44496 1.01498 -0.04777 0.36592
|
|
132 15D-2 -0.94003 0.85825 0.76342 0.05486 -1.13665
|
|
133 16F 0 -0.00294 0.00296 0.00468 -0.00296 -0.00097
|
|
134 16F+1 0.00558 -0.00683 0.00461 0.00150 0.00131
|
|
135 16F-1 0.00052 -0.00103 0.00308 0.00384 0.00302
|
|
136 16F+2 0.00262 0.00218 -0.00112 0.00017 -0.00394
|
|
137 16F-2 0.00346 0.00249 -0.00486 0.00276 0.00467
|
|
138 16F+3 -0.00420 -0.00245 0.00183 -0.00105 0.00304
|
|
139 16F-3 -0.00362 0.00101 0.00151 -0.00148 0.00112
|
|
140 17F 0 0.01949 -0.02448 -0.02601 0.02330 -0.00156
|
|
141 17F+1 -0.03066 0.04130 -0.02735 0.00444 -0.00262
|
|
142 17F-1 -0.00132 0.00440 -0.01520 -0.02079 -0.00232
|
|
143 17F+2 -0.01611 -0.02430 0.01625 -0.01094 0.02505
|
|
144 17F-2 -0.02474 -0.01425 0.03382 -0.01150 -0.02611
|
|
145 17F+3 0.02829 0.01185 -0.01089 0.00717 -0.02752
|
|
146 17F-3 0.02841 -0.00626 -0.02190 0.01025 0.00023
|
|
147 18F 0 0.24493 -0.00559 -0.09572 -0.09117 -0.14639
|
|
148 18F+1 -0.24269 0.28497 -0.17733 0.14273 0.25323
|
|
149 18F-1 -0.06681 0.08726 -0.05567 0.18538 0.11564
|
|
150 18F+2 -0.16284 0.19819 0.24414 -0.16495 0.10823
|
|
151 18F-2 -0.10832 0.14331 0.28540 0.00571 -0.15989
|
|
152 18F+3 0.14085 -0.21489 0.00333 0.03904 -0.20085
|
|
153 18F-3 0.20814 -0.18243 -0.20784 -0.01978 0.16606
|
|
154 19G 0 -0.00026 -0.00142 0.00219 0.00259 -0.00209
|
|
155 19G+1 0.00469 -0.00147 -0.00013 -0.00068 -0.00121
|
|
156 19G-1 0.00074 -0.00606 -0.00043 0.00167 0.00130
|
|
157 19G+2 -0.00249 0.00248 0.00048 -0.00101 -0.00098
|
|
158 19G-2 -0.00071 -0.00025 -0.00350 0.00333 -0.00206
|
|
159 19G+3 0.00005 0.00216 -0.00051 0.00123 0.00088
|
|
160 19G-3 -0.00113 -0.00095 0.00183 0.00154 -0.00342
|
|
161 19G+4 -0.00068 -0.00229 0.00089 0.00131 -0.00469
|
|
162 19G-4 0.00143 -0.00323 -0.00012 -0.00160 0.00023
|
|
163 20G 0 -0.00405 0.02367 -0.03539 -0.00565 0.01113
|
|
164 20G+1 -0.07169 0.04513 0.00141 0.00471 0.03032
|
|
165 20G-1 -0.01597 0.04325 0.00640 -0.01005 -0.00781
|
|
166 20G+2 0.03146 -0.04348 0.02480 -0.00904 0.00076
|
|
167 20G-2 0.00774 -0.00778 0.04150 -0.02103 -0.00543
|
|
168 20G+3 0.02102 -0.01503 -0.01182 0.00194 -0.03395
|
|
169 20G-3 0.03277 -0.00439 -0.04765 -0.00607 0.03865
|
|
170 20G+4 -0.01391 0.02328 -0.00699 -0.01223 0.05101
|
|
171 20G-4 -0.03664 0.03753 0.02240 0.00540 -0.00994
|
|
172 21H 0 -0.00531 0.00395 -0.00314 0.00186 0.00186
|
|
173 21H+1 -0.00121 0.00026 0.00209 -0.00016 0.00170
|
|
174 21H-1 -0.00045 0.00000 0.00056 -0.00093 -0.00002
|
|
175 21H+2 0.00708 -0.00885 0.00285 0.00007 -0.00310
|
|
176 21H-2 0.00319 -0.00210 0.00019 -0.00044 -0.00065
|
|
177 21H+3 -0.00076 0.00331 -0.00352 0.00098 -0.00246
|
|
178 21H-3 -0.00081 0.00092 -0.00415 -0.00042 0.00443
|
|
179 21H+4 -0.00359 -0.00014 0.00055 0.00058 0.00473
|
|
180 21H-4 -0.00408 0.00389 0.00405 -0.00010 -0.00276
|
|
181 21H+5 0.00257 -0.00099 0.00089 -0.00041 -0.00354
|
|
182 21H-5 0.00463 -0.00235 -0.00291 0.00014 0.00264
|
|
183 3 H 1S -0.00434 0.00073 0.00973 -0.00206 0.00184
|
|
184 2S -0.08481 0.04651 0.12948 0.11667 0.03147
|
|
185 3S 4.04423 1.80974 -5.41842 -1.78560 -0.84548
|
|
186 4S 0.65058 2.74277 -4.28576 -2.65983 0.95181
|
|
187 5S 0.30472 -0.10168 -0.00179 0.23239 -0.07034
|
|
188 6PX 0.00950 -0.00110 -0.00806 -0.00387 0.00801
|
|
189 6PY -0.00525 0.00980 0.00561 -0.01402 -0.00535
|
|
190 6PZ 0.00459 0.00307 -0.00587 0.01681 -0.01092
|
|
191 7PX -0.05984 -0.02483 0.01406 -0.01669 -0.01151
|
|
192 7PY 0.00680 -0.06877 0.00078 0.05308 -0.01577
|
|
193 7PZ 0.01731 0.02053 0.03134 -0.08144 0.02210
|
|
194 8PX -0.62392 -0.05002 1.60415 0.73550 0.21275
|
|
195 8PY -0.20416 0.36220 0.21795 -0.08545 0.46652
|
|
196 8PZ -1.16810 -0.70753 0.72214 0.69351 0.30739
|
|
197 9PX -0.25724 -0.66479 1.91622 1.55671 -0.92026
|
|
198 9PY 0.77798 0.24173 -0.73466 0.55117 0.89836
|
|
199 9PZ -1.01512 -1.50443 1.15792 0.33381 0.69757
|
|
200 10D 0 -0.01872 0.00707 0.00221 -0.00085 -0.00934
|
|
201 10D+1 -0.00109 -0.00927 0.00691 0.01466 0.00776
|
|
202 10D-1 -0.00170 -0.00552 -0.02920 -0.03621 -0.02080
|
|
203 10D+2 -0.00922 0.01435 0.00383 -0.00699 -0.00823
|
|
204 10D-2 -0.01019 0.01606 0.03067 0.01809 0.01483
|
|
205 11D 0 0.13082 0.02194 0.02720 0.01392 0.02478
|
|
206 11D+1 0.14141 0.08518 -0.16341 -0.12014 -0.08125
|
|
207 11D-1 0.03565 0.03171 0.11816 0.14977 0.05566
|
|
208 11D+2 0.08402 -0.08281 -0.13507 -0.01223 0.03250
|
|
209 11D-2 0.06551 -0.07921 -0.17288 -0.10684 -0.11895
|
|
210 12D 0 0.47250 1.05420 0.26127 0.21958 -0.68243
|
|
211 12D+1 0.46934 0.24530 -0.06037 -0.11202 -0.13271
|
|
212 12D-1 -0.09948 -0.11496 -0.14756 -0.84726 -1.01261
|
|
213 12D+2 -0.42063 0.03946 -0.50417 -0.64377 0.47635
|
|
214 12D-2 -0.56565 -0.16278 0.90795 0.06452 -0.31928
|
|
215 13F 0 0.00783 0.00159 -0.01084 -0.00116 -0.00021
|
|
216 13F+1 -0.00690 -0.00207 0.00136 0.00744 -0.00363
|
|
217 13F-1 -0.00113 0.00020 -0.00211 0.00025 -0.00086
|
|
218 13F+2 -0.00978 -0.00333 0.01422 0.00513 0.00607
|
|
219 13F-2 -0.00962 0.00138 0.00785 -0.00242 -0.00031
|
|
220 13F+3 -0.00011 0.00290 0.00277 0.00106 0.00373
|
|
221 13F-3 -0.00572 0.00075 0.00840 -0.00097 0.00719
|
|
222 14F 0 -0.06042 -0.09124 -0.01156 -0.05290 0.00815
|
|
223 14F+1 -0.19089 -0.19642 -0.04536 -0.05017 0.12953
|
|
224 14F-1 -0.03544 -0.04970 -0.00557 0.02132 0.06942
|
|
225 14F+2 -0.03195 0.00055 0.03978 0.03661 -0.05589
|
|
226 14F-2 0.05549 0.00486 -0.09308 0.07801 0.15798
|
|
227 14F+3 0.02612 0.02987 0.11459 0.05958 -0.11641
|
|
228 14F-3 0.09793 0.04938 -0.06933 0.05588 0.04565
|
|
229 15G 0 -0.00804 -0.00498 -0.00064 0.00117 0.00409
|
|
230 15G+1 0.01123 0.01443 0.00514 0.00401 -0.00620
|
|
231 15G-1 0.00324 0.00417 -0.00137 0.00008 -0.00037
|
|
232 15G+2 0.01244 0.01079 0.00249 0.00184 -0.00286
|
|
233 15G-2 0.00422 0.00461 0.00251 -0.00412 -0.01069
|
|
234 15G+3 0.00169 -0.00090 -0.00714 -0.00147 0.00825
|
|
235 15G-3 -0.00483 -0.00154 0.00647 -0.00461 -0.01016
|
|
236 15G+4 -0.00139 -0.00265 -0.00838 -0.00324 0.00733
|
|
237 15G-4 -0.00722 -0.00299 0.00253 -0.00264 -0.00301
|
|
238 4 H 1S -0.00434 -0.00073 0.00973 0.00206 0.00184
|
|
239 2S -0.08481 -0.04651 0.12948 -0.11667 0.03147
|
|
240 3S 4.04423 -1.80974 -5.41842 1.78560 -0.84548
|
|
241 4S 0.65058 -2.74277 -4.28576 2.65983 0.95181
|
|
242 5S 0.30472 0.10168 -0.00179 -0.23239 -0.07034
|
|
243 6PX -0.00950 -0.00110 0.00806 -0.00387 -0.00801
|
|
244 6PY 0.00525 0.00980 -0.00561 -0.01402 0.00535
|
|
245 6PZ 0.00459 -0.00307 -0.00587 -0.01681 -0.01092
|
|
246 7PX 0.05984 -0.02483 -0.01406 -0.01669 0.01151
|
|
247 7PY -0.00680 -0.06877 -0.00078 0.05308 0.01577
|
|
248 7PZ 0.01731 -0.02053 0.03134 0.08144 0.02210
|
|
249 8PX 0.62392 -0.05002 -1.60415 0.73550 -0.21275
|
|
250 8PY 0.20416 0.36220 -0.21795 -0.08545 -0.46652
|
|
251 8PZ -1.16810 0.70753 0.72214 -0.69351 0.30739
|
|
252 9PX 0.25724 -0.66479 -1.91622 1.55671 0.92026
|
|
253 9PY -0.77798 0.24173 0.73466 0.55117 -0.89836
|
|
254 9PZ -1.01512 1.50443 1.15792 -0.33381 0.69757
|
|
255 10D 0 -0.01872 -0.00707 0.00221 0.00085 -0.00934
|
|
256 10D+1 0.00109 -0.00927 -0.00691 0.01466 -0.00776
|
|
257 10D-1 0.00170 -0.00552 0.02920 -0.03621 0.02080
|
|
258 10D+2 -0.00922 -0.01435 0.00383 0.00699 -0.00823
|
|
259 10D-2 -0.01019 -0.01606 0.03067 -0.01809 0.01483
|
|
260 11D 0 0.13082 -0.02194 0.02720 -0.01392 0.02478
|
|
261 11D+1 -0.14141 0.08518 0.16341 -0.12014 0.08125
|
|
262 11D-1 -0.03565 0.03171 -0.11816 0.14977 -0.05566
|
|
263 11D+2 0.08402 0.08281 -0.13507 0.01223 0.03250
|
|
264 11D-2 0.06551 0.07921 -0.17288 0.10684 -0.11895
|
|
265 12D 0 0.47250 -1.05420 0.26127 -0.21958 -0.68243
|
|
266 12D+1 -0.46934 0.24530 0.06037 -0.11202 0.13271
|
|
267 12D-1 0.09948 -0.11496 0.14756 -0.84726 1.01261
|
|
268 12D+2 -0.42063 -0.03946 -0.50417 0.64377 0.47635
|
|
269 12D-2 -0.56565 0.16278 0.90795 -0.06452 -0.31928
|
|
270 13F 0 0.00783 -0.00159 -0.01084 0.00116 -0.00021
|
|
271 13F+1 0.00690 -0.00207 -0.00136 0.00744 0.00363
|
|
272 13F-1 0.00113 0.00020 0.00211 0.00025 0.00086
|
|
273 13F+2 -0.00978 0.00333 0.01422 -0.00513 0.00607
|
|
274 13F-2 -0.00962 -0.00138 0.00785 0.00242 -0.00031
|
|
275 13F+3 0.00011 0.00290 -0.00277 0.00106 -0.00373
|
|
276 13F-3 0.00572 0.00075 -0.00840 -0.00097 -0.00719
|
|
277 14F 0 -0.06042 0.09124 -0.01156 0.05290 0.00815
|
|
278 14F+1 0.19089 -0.19642 0.04536 -0.05017 -0.12953
|
|
279 14F-1 0.03544 -0.04970 0.00557 0.02132 -0.06942
|
|
280 14F+2 -0.03195 -0.00055 0.03978 -0.03661 -0.05589
|
|
281 14F-2 0.05549 -0.00486 -0.09308 -0.07801 0.15798
|
|
282 14F+3 -0.02612 0.02987 -0.11459 0.05958 0.11641
|
|
283 14F-3 -0.09793 0.04938 0.06933 0.05588 -0.04565
|
|
284 15G 0 -0.00804 0.00498 -0.00064 -0.00117 0.00409
|
|
285 15G+1 -0.01123 0.01443 -0.00514 0.00401 0.00620
|
|
286 15G-1 -0.00324 0.00417 0.00137 0.00008 0.00037
|
|
287 15G+2 0.01244 -0.01079 0.00249 -0.00184 -0.00286
|
|
288 15G-2 0.00422 -0.00461 0.00251 0.00412 -0.01069
|
|
289 15G+3 -0.00169 -0.00090 0.00714 -0.00147 -0.00825
|
|
290 15G-3 0.00483 -0.00154 -0.00647 -0.00461 0.01016
|
|
291 15G+4 -0.00139 0.00265 -0.00838 0.00324 0.00733
|
|
292 15G-4 -0.00722 0.00299 0.00253 0.00264 -0.00301
|
|
46 47 48 49 50
|
|
V V V V V
|
|
Eigenvalues -- 1.77997 1.78433 1.81051 1.87680 1.92833
|
|
1 1 O 1S -0.00600 -0.02600 0.00064 0.00013 0.02439
|
|
2 2S 0.01839 0.08060 0.01646 0.00270 -0.08171
|
|
3 3S 0.04978 0.17997 0.07232 0.03291 -0.16658
|
|
4 4S -0.79281 -1.90112 0.11156 -0.89468 0.01666
|
|
5 5S 4.65613 9.04192 -3.62503 5.27071 5.63435
|
|
6 6S 7.52412 17.72052 -2.00172 11.07339 0.91149
|
|
7 7PX 0.01136 -0.03979 0.02266 -0.04302 -0.00153
|
|
8 7PY 0.00171 0.02727 0.00398 0.04620 0.01132
|
|
9 7PZ -0.05397 -0.01818 -0.02323 -0.02771 0.01249
|
|
10 8PX -0.12058 -0.28727 0.11243 -0.15402 -0.14471
|
|
11 8PY -0.01502 -0.02841 0.05436 -0.01680 -0.02788
|
|
12 8PZ -0.09270 -0.17978 0.05529 -0.15357 -0.10227
|
|
13 9PX 0.79825 1.27004 -0.63899 0.54101 1.67685
|
|
14 9PY 0.11616 0.86835 -0.16896 0.56341 0.50097
|
|
15 9PZ 0.00964 0.86181 -0.71643 0.55568 1.25564
|
|
16 10PX 4.73835 8.03347 -2.44194 6.34052 0.20358
|
|
17 10PY 1.76617 -3.97629 -3.80161 0.59147 0.63306
|
|
18 10PZ 2.99760 5.48655 -0.93360 5.11902 0.09503
|
|
19 11PX 1.39989 1.14517 -0.44049 1.01534 0.31047
|
|
20 11PY 0.26469 -1.25508 -0.88370 -0.23769 0.47302
|
|
21 11PZ 0.44068 0.60167 -0.77867 1.27707 -0.04069
|
|
22 12D 0 -0.00625 -0.00618 -0.00027 0.00643 0.00015
|
|
23 12D+1 0.00056 0.00838 0.00062 0.00779 -0.01048
|
|
24 12D-1 0.00031 -0.00086 -0.00438 -0.00206 0.00104
|
|
25 12D+2 0.00387 -0.00356 0.00341 0.00297 -0.00573
|
|
26 12D-2 0.00441 -0.00145 -0.00708 -0.00131 0.00167
|
|
27 13D 0 0.02891 0.02363 -0.00747 -0.03733 -0.00311
|
|
28 13D+1 -0.02028 -0.07389 -0.00510 -0.07158 0.04790
|
|
29 13D-1 -0.01589 0.00312 0.02513 -0.01127 0.00176
|
|
30 13D+2 -0.03233 -0.01528 -0.01018 -0.04743 0.03199
|
|
31 13D-2 -0.02695 0.00074 0.04898 0.00494 -0.01037
|
|
32 14D 0 -0.19169 -0.15444 0.05708 0.17335 -0.04607
|
|
33 14D+1 0.41629 1.08898 -0.30650 0.80978 0.42338
|
|
34 14D-1 0.13307 0.15475 -0.24750 0.09340 0.18424
|
|
35 14D+2 0.36901 0.65581 -0.13486 0.51676 0.29728
|
|
36 14D-2 0.29609 0.20857 -0.37211 0.13207 0.29991
|
|
37 15D 0 -0.33442 -1.41337 -0.08897 0.10103 0.03345
|
|
38 15D+1 1.45836 2.54618 -0.51316 2.06253 -0.61066
|
|
39 15D-1 0.40874 0.02406 -0.88202 0.19501 0.19908
|
|
40 15D+2 1.14655 -0.05876 -0.67168 0.64744 -0.55532
|
|
41 15D-2 1.00880 0.63268 -0.94567 0.26053 -0.24555
|
|
42 16F 0 0.00437 0.00807 -0.00084 0.00706 0.00367
|
|
43 16F+1 -0.00684 -0.00526 -0.00283 -0.00137 -0.00188
|
|
44 16F-1 0.00028 -0.00227 -0.00032 -0.00263 -0.00546
|
|
45 16F+2 -0.00290 -0.01562 0.00315 -0.01327 -0.00398
|
|
46 16F-2 -0.00474 -0.00573 -0.00217 -0.00196 0.00032
|
|
47 16F+3 -0.00176 -0.00996 -0.00147 -0.00594 -0.00434
|
|
48 16F-3 -0.00384 -0.00385 0.00342 -0.00488 -0.00569
|
|
49 17F 0 -0.03794 -0.06868 0.01606 -0.05265 -0.04992
|
|
50 17F+1 0.03458 0.04514 0.00314 0.02829 0.02891
|
|
51 17F-1 0.00464 0.00637 -0.00344 0.01117 0.02780
|
|
52 17F+2 0.03635 0.13535 -0.03451 0.09656 0.07353
|
|
53 17F-2 0.03877 0.04879 -0.00721 0.02510 0.02836
|
|
54 17F+3 0.02338 0.08060 -0.00463 0.05450 0.05413
|
|
55 17F-3 0.03033 0.02656 -0.03635 0.02655 0.05075
|
|
56 18F 0 -0.17446 -0.34946 0.12990 -0.12010 0.14249
|
|
57 18F+1 -0.05339 0.18379 0.04124 0.36800 -0.09534
|
|
58 18F-1 0.02244 0.24155 -0.01530 0.02045 -0.09137
|
|
59 18F+2 0.27820 0.50132 0.07997 0.32404 -0.24741
|
|
60 18F-2 0.19730 0.08176 -0.38863 0.08275 0.04882
|
|
61 18F+3 0.14290 0.33000 0.05830 0.08801 -0.29794
|
|
62 18F-3 0.19927 0.47436 -0.20327 -0.01317 -0.11301
|
|
63 19G 0 0.00047 -0.00465 0.00122 -0.00159 -0.00536
|
|
64 19G+1 -0.00184 -0.00140 -0.00117 -0.00079 -0.00503
|
|
65 19G-1 0.00106 -0.00167 0.00106 0.00013 -0.00068
|
|
66 19G+2 0.00017 -0.00213 -0.00358 -0.00133 0.00593
|
|
67 19G-2 0.00024 0.00362 0.00021 -0.00003 0.00161
|
|
68 19G+3 0.00203 0.00195 -0.00398 0.00243 0.00888
|
|
69 19G-3 -0.00019 0.00245 -0.00037 0.00245 0.00673
|
|
70 19G+4 0.00176 -0.00375 -0.00281 -0.00142 0.00409
|
|
71 19G-4 -0.00035 0.00196 -0.00070 -0.00053 0.00158
|
|
72 20G 0 -0.02485 -0.01465 -0.00155 -0.02822 0.02086
|
|
73 20G+1 -0.00657 -0.03554 0.02455 -0.01126 0.02158
|
|
74 20G-1 -0.00873 0.00341 0.00179 -0.00068 0.00050
|
|
75 20G+2 0.02167 0.07713 0.02443 0.05146 -0.02202
|
|
76 20G-2 0.01854 -0.00489 -0.01331 0.01415 -0.00095
|
|
77 20G+3 0.01551 0.07549 0.02289 0.03986 -0.03763
|
|
78 20G-3 0.03599 0.02251 -0.03522 0.00880 -0.02387
|
|
79 20G+4 -0.00072 0.07759 0.01984 0.03110 -0.02033
|
|
80 20G-4 0.02212 0.01648 -0.02181 0.01428 0.00400
|
|
81 21H 0 -0.00280 0.00065 -0.00277 -0.00122 0.00005
|
|
82 21H+1 -0.00236 -0.00536 -0.00120 -0.00271 0.00415
|
|
83 21H-1 -0.00080 -0.00189 0.00014 -0.00084 0.00023
|
|
84 21H+2 0.00194 -0.00063 0.00178 0.00046 0.00138
|
|
85 21H-2 0.00260 -0.00060 0.00071 0.00146 0.00028
|
|
86 21H+3 0.00228 0.00601 0.00289 0.00462 -0.00173
|
|
87 21H-3 0.00480 -0.00124 -0.00130 -0.00077 -0.00329
|
|
88 21H+4 0.00154 0.00759 0.00135 0.00551 -0.00237
|
|
89 21H-4 0.00219 0.00219 -0.00405 0.00031 -0.00350
|
|
90 21H+5 0.00040 0.00388 0.00019 0.00409 0.00068
|
|
91 21H-5 0.00006 -0.00062 -0.00269 -0.00196 -0.00317
|
|
92 2 O 1S -0.00600 0.02600 -0.00064 0.00013 0.02439
|
|
93 2S 0.01839 -0.08060 -0.01646 0.00270 -0.08171
|
|
94 3S 0.04978 -0.17997 -0.07232 0.03291 -0.16658
|
|
95 4S -0.79281 1.90112 -0.11156 -0.89468 0.01666
|
|
96 5S 4.65613 -9.04192 3.62503 5.27071 5.63435
|
|
97 6S 7.52412 -17.72052 2.00172 11.07339 0.91149
|
|
98 7PX -0.01136 -0.03979 0.02266 0.04302 0.00153
|
|
99 7PY -0.00171 0.02727 0.00398 -0.04620 -0.01132
|
|
100 7PZ -0.05397 0.01818 0.02323 -0.02771 0.01249
|
|
101 8PX 0.12058 -0.28727 0.11243 0.15402 0.14471
|
|
102 8PY 0.01502 -0.02841 0.05436 0.01680 0.02788
|
|
103 8PZ -0.09270 0.17978 -0.05529 -0.15357 -0.10227
|
|
104 9PX -0.79825 1.27004 -0.63899 -0.54101 -1.67685
|
|
105 9PY -0.11616 0.86835 -0.16896 -0.56341 -0.50097
|
|
106 9PZ 0.00964 -0.86181 0.71643 0.55568 1.25564
|
|
107 10PX -4.73835 8.03347 -2.44194 -6.34052 -0.20358
|
|
108 10PY -1.76617 -3.97629 -3.80161 -0.59147 -0.63306
|
|
109 10PZ 2.99760 -5.48655 0.93360 5.11902 0.09503
|
|
110 11PX -1.39989 1.14517 -0.44049 -1.01534 -0.31047
|
|
111 11PY -0.26469 -1.25508 -0.88370 0.23769 -0.47302
|
|
112 11PZ 0.44068 -0.60167 0.77867 1.27707 -0.04069
|
|
113 12D 0 -0.00625 0.00618 0.00027 0.00643 0.00015
|
|
114 12D+1 -0.00056 0.00838 0.00062 -0.00779 0.01048
|
|
115 12D-1 -0.00031 -0.00086 -0.00438 0.00206 -0.00104
|
|
116 12D+2 0.00387 0.00356 -0.00341 0.00297 -0.00573
|
|
117 12D-2 0.00441 0.00145 0.00708 -0.00131 0.00167
|
|
118 13D 0 0.02891 -0.02363 0.00747 -0.03733 -0.00311
|
|
119 13D+1 0.02028 -0.07389 -0.00510 0.07158 -0.04790
|
|
120 13D-1 0.01589 0.00312 0.02513 0.01127 -0.00176
|
|
121 13D+2 -0.03233 0.01528 0.01018 -0.04743 0.03199
|
|
122 13D-2 -0.02695 -0.00074 -0.04898 0.00494 -0.01037
|
|
123 14D 0 -0.19169 0.15444 -0.05708 0.17335 -0.04607
|
|
124 14D+1 -0.41629 1.08898 -0.30650 -0.80978 -0.42338
|
|
125 14D-1 -0.13307 0.15475 -0.24750 -0.09340 -0.18424
|
|
126 14D+2 0.36901 -0.65581 0.13486 0.51676 0.29728
|
|
127 14D-2 0.29609 -0.20857 0.37211 0.13207 0.29991
|
|
128 15D 0 -0.33442 1.41337 0.08897 0.10103 0.03345
|
|
129 15D+1 -1.45836 2.54618 -0.51316 -2.06253 0.61066
|
|
130 15D-1 -0.40874 0.02406 -0.88202 -0.19501 -0.19908
|
|
131 15D+2 1.14655 0.05876 0.67168 0.64744 -0.55532
|
|
132 15D-2 1.00880 -0.63268 0.94567 0.26053 -0.24555
|
|
133 16F 0 0.00437 -0.00807 0.00084 0.00706 0.00367
|
|
134 16F+1 0.00684 -0.00526 -0.00283 0.00137 0.00188
|
|
135 16F-1 -0.00028 -0.00227 -0.00032 0.00263 0.00546
|
|
136 16F+2 -0.00290 0.01562 -0.00315 -0.01327 -0.00398
|
|
137 16F-2 -0.00474 0.00573 0.00217 -0.00196 0.00032
|
|
138 16F+3 0.00176 -0.00996 -0.00147 0.00594 0.00434
|
|
139 16F-3 0.00384 -0.00385 0.00342 0.00488 0.00569
|
|
140 17F 0 -0.03794 0.06868 -0.01606 -0.05265 -0.04992
|
|
141 17F+1 -0.03458 0.04514 0.00314 -0.02829 -0.02891
|
|
142 17F-1 -0.00464 0.00637 -0.00344 -0.01117 -0.02780
|
|
143 17F+2 0.03635 -0.13535 0.03451 0.09656 0.07353
|
|
144 17F-2 0.03877 -0.04879 0.00721 0.02510 0.02836
|
|
145 17F+3 -0.02338 0.08060 -0.00463 -0.05450 -0.05413
|
|
146 17F-3 -0.03033 0.02656 -0.03635 -0.02655 -0.05075
|
|
147 18F 0 -0.17446 0.34946 -0.12990 -0.12010 0.14249
|
|
148 18F+1 0.05339 0.18379 0.04124 -0.36800 0.09534
|
|
149 18F-1 -0.02244 0.24155 -0.01530 -0.02045 0.09137
|
|
150 18F+2 0.27820 -0.50132 -0.07997 0.32404 -0.24741
|
|
151 18F-2 0.19730 -0.08176 0.38863 0.08275 0.04882
|
|
152 18F+3 -0.14290 0.33000 0.05830 -0.08801 0.29794
|
|
153 18F-3 -0.19927 0.47436 -0.20327 0.01317 0.11301
|
|
154 19G 0 0.00047 0.00465 -0.00122 -0.00159 -0.00536
|
|
155 19G+1 0.00184 -0.00140 -0.00117 0.00079 0.00503
|
|
156 19G-1 -0.00106 -0.00167 0.00106 -0.00013 0.00068
|
|
157 19G+2 0.00017 0.00213 0.00358 -0.00133 0.00593
|
|
158 19G-2 0.00024 -0.00362 -0.00021 -0.00003 0.00161
|
|
159 19G+3 -0.00203 0.00195 -0.00398 -0.00243 -0.00888
|
|
160 19G-3 0.00019 0.00245 -0.00037 -0.00245 -0.00673
|
|
161 19G+4 0.00176 0.00375 0.00281 -0.00142 0.00409
|
|
162 19G-4 -0.00035 -0.00196 0.00070 -0.00053 0.00158
|
|
163 20G 0 -0.02485 0.01465 0.00155 -0.02822 0.02086
|
|
164 20G+1 0.00657 -0.03554 0.02455 0.01126 -0.02158
|
|
165 20G-1 0.00873 0.00341 0.00179 0.00068 -0.00050
|
|
166 20G+2 0.02167 -0.07713 -0.02443 0.05146 -0.02202
|
|
167 20G-2 0.01854 0.00489 0.01331 0.01415 -0.00095
|
|
168 20G+3 -0.01551 0.07549 0.02289 -0.03986 0.03763
|
|
169 20G-3 -0.03599 0.02251 -0.03522 -0.00880 0.02387
|
|
170 20G+4 -0.00072 -0.07759 -0.01984 0.03110 -0.02033
|
|
171 20G-4 0.02212 -0.01648 0.02181 0.01428 0.00400
|
|
172 21H 0 -0.00280 -0.00065 0.00277 -0.00122 0.00005
|
|
173 21H+1 0.00236 -0.00536 -0.00120 0.00271 -0.00415
|
|
174 21H-1 0.00080 -0.00189 0.00014 0.00084 -0.00023
|
|
175 21H+2 0.00194 0.00063 -0.00178 0.00046 0.00138
|
|
176 21H-2 0.00260 0.00060 -0.00071 0.00146 0.00028
|
|
177 21H+3 -0.00228 0.00601 0.00289 -0.00462 0.00173
|
|
178 21H-3 -0.00480 -0.00124 -0.00130 0.00077 0.00329
|
|
179 21H+4 0.00154 -0.00759 -0.00135 0.00551 -0.00237
|
|
180 21H-4 0.00219 -0.00219 0.00405 0.00031 -0.00350
|
|
181 21H+5 -0.00040 0.00388 0.00019 -0.00409 -0.00068
|
|
182 21H-5 -0.00006 -0.00062 -0.00269 0.00196 0.00317
|
|
183 3 H 1S 0.00449 0.00694 0.01016 0.00349 -0.03228
|
|
184 2S 0.29537 0.64280 -0.36734 0.39545 0.89939
|
|
185 3S -6.50708 -11.50909 3.66437 -7.91556 -1.95018
|
|
186 4S -6.78462 -9.12295 4.63687 -10.31401 -3.07509
|
|
187 5S 0.17958 0.27310 -0.00631 0.39082 0.09836
|
|
188 6PX 0.00488 -0.01008 0.00484 -0.00736 0.00631
|
|
189 6PY -0.00145 -0.00366 -0.00514 -0.00933 0.01111
|
|
190 6PZ -0.01236 -0.00898 -0.00825 0.01120 -0.00318
|
|
191 7PX -0.06241 -0.04215 0.05507 -0.03951 -0.20527
|
|
192 7PY 0.01468 -0.03229 -0.00941 0.01391 -0.07639
|
|
193 7PZ 0.00962 -0.02160 0.09207 -0.07145 -0.10183
|
|
194 8PX 2.24653 3.85464 -1.21977 2.76589 1.48294
|
|
195 8PY 0.29924 1.16324 0.16500 0.63100 0.43352
|
|
196 8PZ 1.22299 2.61470 -1.21461 1.86537 0.77286
|
|
197 9PX 2.44061 3.95442 -2.73468 4.64918 2.60565
|
|
198 9PY 0.00495 1.38400 0.93866 1.76082 -0.45305
|
|
199 9PZ 2.61482 2.86299 -1.52996 1.67611 1.87984
|
|
200 10D 0 -0.02792 0.00200 -0.02312 0.01362 0.00180
|
|
201 10D+1 -0.00206 0.02678 0.00329 0.01481 0.01470
|
|
202 10D-1 0.02348 0.02053 -0.00775 0.02250 0.00717
|
|
203 10D+2 0.02272 0.02257 -0.01181 0.01284 0.01142
|
|
204 10D-2 0.00161 0.00927 -0.02191 0.01016 0.02445
|
|
205 11D 0 0.15572 0.01132 0.11971 -0.03462 0.00041
|
|
206 11D+1 -0.16697 -0.50377 0.09095 -0.31325 -0.14503
|
|
207 11D-1 -0.13660 -0.20022 0.03863 -0.17131 -0.04697
|
|
208 11D+2 -0.24255 -0.36361 0.11782 -0.24122 -0.10885
|
|
209 11D-2 -0.06317 -0.19465 0.09653 -0.15381 -0.13565
|
|
210 12D 0 -0.82799 0.17602 -0.28296 0.90076 0.20926
|
|
211 12D+1 -1.08141 -1.16564 1.35478 -0.62997 -2.05467
|
|
212 12D-1 0.38810 -0.24368 -0.47249 0.04091 -0.12572
|
|
213 12D+2 -0.18993 -0.54522 0.90915 -0.78131 -1.55173
|
|
214 12D-2 0.16456 -0.85693 -1.01687 -0.54416 0.01194
|
|
215 13F 0 -0.01237 -0.02194 0.00259 -0.01071 -0.00034
|
|
216 13F+1 -0.00447 0.01309 -0.00667 0.01404 -0.00200
|
|
217 13F-1 -0.00288 0.00318 -0.00080 0.00479 -0.00041
|
|
218 13F+2 0.01685 0.03288 -0.00435 0.02576 -0.00073
|
|
219 13F-2 0.00590 0.01958 -0.00634 0.01093 0.00385
|
|
220 13F+3 0.00796 0.01933 0.00122 0.01105 -0.00069
|
|
221 13F-3 0.01003 0.01444 -0.00197 0.01129 0.00353
|
|
222 14F 0 -0.02515 -0.10445 0.07682 -0.12139 -0.20294
|
|
223 14F+1 0.12393 0.06601 -0.08229 -0.07808 0.13386
|
|
224 14F-1 0.02957 0.01414 -0.00452 -0.01731 0.01855
|
|
225 14F+2 0.10707 0.15745 -0.20542 0.08205 0.35270
|
|
226 14F-2 -0.00339 0.14818 0.07965 0.10249 0.08609
|
|
227 14F+3 0.07563 0.04066 -0.15804 0.07773 0.20841
|
|
228 14F-3 -0.03081 0.14871 0.06997 0.10926 0.08537
|
|
229 15G 0 0.00558 0.00668 -0.00709 0.00171 0.01264
|
|
230 15G+1 -0.00053 0.00568 -0.00380 0.01022 0.01109
|
|
231 15G-1 -0.00099 0.00375 0.00194 0.00305 0.00148
|
|
232 15G+2 -0.00772 -0.00735 0.01050 0.00024 -0.01464
|
|
233 15G-2 -0.00111 -0.00504 -0.00009 -0.00165 -0.00402
|
|
234 15G+3 -0.00829 -0.00716 0.01515 -0.00538 -0.02132
|
|
235 15G-3 0.00085 -0.01528 -0.00436 -0.00958 -0.01020
|
|
236 15G+4 -0.00473 -0.00003 0.00933 -0.00248 -0.01046
|
|
237 15G-4 0.00031 -0.00997 -0.00416 -0.00827 -0.00758
|
|
238 4 H 1S 0.00449 -0.00694 -0.01016 0.00349 -0.03228
|
|
239 2S 0.29537 -0.64280 0.36734 0.39545 0.89939
|
|
240 3S -6.50708 11.50909 -3.66437 -7.91556 -1.95018
|
|
241 4S -6.78462 9.12295 -4.63687 -10.31401 -3.07509
|
|
242 5S 0.17958 -0.27310 0.00631 0.39082 0.09836
|
|
243 6PX -0.00488 -0.01008 0.00484 0.00736 -0.00631
|
|
244 6PY 0.00145 -0.00366 -0.00514 0.00933 -0.01111
|
|
245 6PZ -0.01236 0.00898 0.00825 0.01120 -0.00318
|
|
246 7PX 0.06241 -0.04215 0.05507 0.03951 0.20527
|
|
247 7PY -0.01468 -0.03229 -0.00941 -0.01391 0.07639
|
|
248 7PZ 0.00962 0.02160 -0.09207 -0.07145 -0.10183
|
|
249 8PX -2.24653 3.85464 -1.21977 -2.76589 -1.48294
|
|
250 8PY -0.29924 1.16324 0.16500 -0.63100 -0.43352
|
|
251 8PZ 1.22299 -2.61470 1.21461 1.86537 0.77286
|
|
252 9PX -2.44061 3.95442 -2.73468 -4.64918 -2.60565
|
|
253 9PY -0.00495 1.38400 0.93866 -1.76082 0.45305
|
|
254 9PZ 2.61482 -2.86299 1.52996 1.67611 1.87984
|
|
255 10D 0 -0.02792 -0.00200 0.02312 0.01362 0.00180
|
|
256 10D+1 0.00206 0.02678 0.00329 -0.01481 -0.01470
|
|
257 10D-1 -0.02348 0.02053 -0.00775 -0.02250 -0.00717
|
|
258 10D+2 0.02272 -0.02257 0.01181 0.01284 0.01142
|
|
259 10D-2 0.00161 -0.00927 0.02191 0.01016 0.02445
|
|
260 11D 0 0.15572 -0.01132 -0.11971 -0.03462 0.00041
|
|
261 11D+1 0.16697 -0.50377 0.09095 0.31325 0.14503
|
|
262 11D-1 0.13660 -0.20022 0.03863 0.17131 0.04697
|
|
263 11D+2 -0.24255 0.36361 -0.11782 -0.24122 -0.10885
|
|
264 11D-2 -0.06317 0.19465 -0.09653 -0.15381 -0.13565
|
|
265 12D 0 -0.82799 -0.17602 0.28296 0.90076 0.20926
|
|
266 12D+1 1.08141 -1.16564 1.35478 0.62997 2.05467
|
|
267 12D-1 -0.38810 -0.24368 -0.47249 -0.04091 0.12572
|
|
268 12D+2 -0.18993 0.54522 -0.90915 -0.78131 -1.55173
|
|
269 12D-2 0.16456 0.85693 1.01687 -0.54416 0.01194
|
|
270 13F 0 -0.01237 0.02194 -0.00259 -0.01071 -0.00034
|
|
271 13F+1 0.00447 0.01309 -0.00667 -0.01404 0.00200
|
|
272 13F-1 0.00288 0.00318 -0.00080 -0.00479 0.00041
|
|
273 13F+2 0.01685 -0.03288 0.00435 0.02576 -0.00073
|
|
274 13F-2 0.00590 -0.01958 0.00634 0.01093 0.00385
|
|
275 13F+3 -0.00796 0.01933 0.00122 -0.01105 0.00069
|
|
276 13F-3 -0.01003 0.01444 -0.00197 -0.01129 -0.00353
|
|
277 14F 0 -0.02515 0.10445 -0.07682 -0.12139 -0.20294
|
|
278 14F+1 -0.12393 0.06601 -0.08229 0.07808 -0.13386
|
|
279 14F-1 -0.02957 0.01414 -0.00452 0.01731 -0.01855
|
|
280 14F+2 0.10707 -0.15745 0.20542 0.08205 0.35270
|
|
281 14F-2 -0.00339 -0.14818 -0.07965 0.10249 0.08609
|
|
282 14F+3 -0.07563 0.04066 -0.15804 -0.07773 -0.20841
|
|
283 14F-3 0.03081 0.14871 0.06997 -0.10926 -0.08537
|
|
284 15G 0 0.00558 -0.00668 0.00709 0.00171 0.01264
|
|
285 15G+1 0.00053 0.00568 -0.00380 -0.01022 -0.01109
|
|
286 15G-1 0.00099 0.00375 0.00194 -0.00305 -0.00148
|
|
287 15G+2 -0.00772 0.00735 -0.01050 0.00024 -0.01464
|
|
288 15G-2 -0.00111 0.00504 0.00009 -0.00165 -0.00402
|
|
289 15G+3 0.00829 -0.00716 0.01515 0.00538 0.02132
|
|
290 15G-3 -0.00085 -0.01528 -0.00436 0.00958 0.01020
|
|
291 15G+4 -0.00473 0.00003 -0.00933 -0.00248 -0.01046
|
|
292 15G-4 0.00031 0.00997 0.00416 -0.00827 -0.00758
|
|
51 52 53 54 55
|
|
V V V V V
|
|
Eigenvalues -- 1.94356 1.94921 2.03034 2.11911 2.16628
|
|
1 1 O 1S 0.01245 0.01159 -0.00842 0.00704 0.01584
|
|
2 2S -0.05858 -0.04998 0.00250 -0.03764 -0.03206
|
|
3 3S -0.15079 -0.11615 -0.04214 -0.11409 -0.03967
|
|
4 4S 0.09976 0.14671 -0.66383 0.02160 0.67984
|
|
5 5S 3.94909 1.64031 6.92001 4.53560 -3.83041
|
|
6 6S -0.46050 -2.39220 9.30980 2.62447 -2.36829
|
|
7 7PX 0.01192 -0.00520 -0.00671 0.01668 0.02853
|
|
8 7PY -0.01765 -0.02622 -0.05472 0.00124 0.02953
|
|
9 7PZ -0.04259 -0.00861 -0.01561 0.00232 -0.01449
|
|
10 8PX -0.13365 -0.07139 -0.22423 -0.08615 0.05365
|
|
11 8PY -0.01554 -0.02543 -0.04875 -0.01163 -0.01803
|
|
12 8PZ -0.04910 -0.04663 -0.14055 -0.10132 0.07983
|
|
13 9PX 1.15723 0.34386 1.46861 1.41094 0.10743
|
|
14 9PY -0.24965 -0.47456 -0.19489 0.40743 0.36422
|
|
15 9PZ 0.17355 0.16889 0.84371 1.00135 -0.43550
|
|
16 10PX 3.10209 2.43832 5.13865 -0.04038 -4.74487
|
|
17 10PY 5.31420 7.25221 0.27163 -4.13127 -1.33968
|
|
18 10PZ 1.66387 3.71000 4.12703 -1.12498 -1.80544
|
|
19 11PX 0.88934 0.22880 1.14462 0.24701 -0.65601
|
|
20 11PY 1.10569 1.12816 -0.32164 -0.00588 -0.45291
|
|
21 11PZ -0.04090 0.51158 0.92991 0.27395 -0.27509
|
|
22 12D 0 -0.00284 0.00940 -0.00095 0.00232 0.00357
|
|
23 12D+1 -0.00300 0.00468 0.00427 -0.00407 -0.00464
|
|
24 12D-1 0.00146 0.00680 -0.00165 -0.00471 0.00095
|
|
25 12D+2 0.00742 0.00388 0.00091 -0.00475 0.00142
|
|
26 12D-2 -0.00070 -0.00080 -0.00356 0.00184 -0.00946
|
|
27 13D 0 0.01748 -0.05832 0.00172 0.00406 -0.02580
|
|
28 13D+1 0.00355 -0.04191 -0.04149 0.02665 0.03591
|
|
29 13D-1 -0.01478 -0.04682 0.00442 0.03466 0.00839
|
|
30 13D+2 -0.04211 -0.01826 -0.01656 0.01410 -0.00025
|
|
31 13D-2 -0.01325 -0.00312 0.02066 0.02376 0.06734
|
|
32 14D 0 -0.16640 0.22320 -0.02582 -0.01365 0.17446
|
|
33 14D+1 0.35124 0.38319 0.83976 0.37151 -0.32983
|
|
34 14D-1 0.15610 0.28083 0.10222 -0.07899 -0.07719
|
|
35 14D+2 0.44041 0.14426 0.54501 0.31523 -0.07383
|
|
36 14D-2 0.19790 0.11666 0.08350 0.07840 -0.42252
|
|
37 15D 0 0.42656 1.75696 0.21384 -0.85519 -0.49103
|
|
38 15D+1 0.22996 1.10261 1.59510 -0.88658 -1.44738
|
|
39 15D-1 -0.18596 -0.40580 -0.13382 -0.81426 -0.45040
|
|
40 15D+2 2.17568 2.88477 1.32585 -1.07807 -1.66888
|
|
41 15D-2 0.46584 0.83140 -0.01941 -1.11901 1.23702
|
|
42 16F 0 0.00327 0.00257 0.00173 0.00157 -0.00397
|
|
43 16F+1 -0.00792 -0.00116 -0.00505 0.00655 -0.00359
|
|
44 16F-1 -0.00034 -0.00354 0.00452 0.00151 0.00147
|
|
45 16F+2 -0.00137 -0.00152 -0.00858 -0.00591 0.00558
|
|
46 16F-2 -0.00688 -0.00265 -0.00695 0.00158 0.00479
|
|
47 16F+3 -0.00086 0.00074 -0.00182 -0.00487 0.00222
|
|
48 16F-3 -0.00188 -0.00139 -0.00237 0.00028 0.00288
|
|
49 17F 0 -0.03132 -0.01529 -0.03774 -0.03424 0.03485
|
|
50 17F+1 0.04142 0.01218 0.04184 -0.00585 0.00944
|
|
51 17F-1 0.01248 0.03125 -0.01147 -0.00675 -0.01587
|
|
52 17F+2 0.04317 0.02483 0.08953 0.07076 -0.03115
|
|
53 17F-2 0.04408 0.02278 0.05201 0.01503 -0.04038
|
|
54 17F+3 0.02026 -0.00520 0.03462 0.05170 -0.02875
|
|
55 17F-3 0.03342 0.02759 0.03640 0.01056 -0.03528
|
|
56 18F 0 -0.09619 -0.04512 -0.16830 0.08862 0.12482
|
|
57 18F+1 -0.28538 0.29012 0.15754 -0.00549 -0.08099
|
|
58 18F-1 -0.22894 -0.27204 0.12366 0.04448 0.00710
|
|
59 18F+2 -0.01077 0.08664 0.31161 -0.16203 -0.20742
|
|
60 18F-2 0.00941 0.22588 -0.06357 -0.35281 -0.11180
|
|
61 18F+3 0.04018 -0.04005 0.26100 0.05189 -0.04364
|
|
62 18F-3 -0.07111 -0.15196 -0.00925 -0.20721 -0.14300
|
|
63 19G 0 -0.00028 0.00245 -0.00168 -0.00666 -0.00133
|
|
64 19G+1 -0.00235 -0.00331 -0.00360 -0.00215 -0.00050
|
|
65 19G-1 -0.00202 -0.00340 -0.00172 -0.00132 -0.00051
|
|
66 19G+2 0.00605 0.00425 0.00370 0.00402 -0.00373
|
|
67 19G-2 0.00143 0.00175 0.00110 0.00401 0.00272
|
|
68 19G+3 0.00433 -0.00047 0.00349 0.00542 -0.00095
|
|
69 19G-3 -0.00104 -0.00276 0.00415 0.00813 -0.00233
|
|
70 19G+4 0.00570 0.00598 0.00264 0.00107 -0.00025
|
|
71 19G-4 0.00106 -0.00027 0.00403 0.00415 0.00599
|
|
72 20G 0 -0.01125 -0.03768 -0.02077 0.03081 0.01788
|
|
73 20G+1 -0.00389 0.01902 -0.00126 0.00170 0.02866
|
|
74 20G-1 0.00471 0.01534 0.00391 0.01098 0.00793
|
|
75 20G+2 -0.03408 -0.01190 0.01817 -0.01193 0.01163
|
|
76 20G-2 -0.00017 0.01019 0.01072 -0.02971 -0.02575
|
|
77 20G+3 -0.01673 0.00464 0.02423 -0.00381 -0.01558
|
|
78 20G-3 0.03362 0.04540 0.01019 -0.05839 -0.01788
|
|
79 20G+4 -0.04022 -0.05223 0.00699 0.01613 -0.01021
|
|
80 20G-4 0.01464 0.01712 -0.00198 -0.03639 -0.05599
|
|
81 21H 0 0.00006 0.00010 -0.00009 -0.00064 -0.00257
|
|
82 21H+1 0.00121 -0.00119 -0.00145 0.00125 0.00203
|
|
83 21H-1 0.00165 0.00163 -0.00114 0.00096 -0.00097
|
|
84 21H+2 0.00230 0.00184 0.00016 0.00036 0.00338
|
|
85 21H-2 -0.00095 -0.00074 -0.00011 0.00157 0.00043
|
|
86 21H+3 -0.00199 -0.00038 -0.00014 -0.00039 -0.00067
|
|
87 21H-3 0.00270 0.00450 0.00319 -0.00159 -0.00250
|
|
88 21H+4 -0.00308 -0.00255 -0.00124 0.00067 -0.00150
|
|
89 21H-4 0.00108 0.00253 0.00420 -0.00610 -0.00284
|
|
90 21H+5 -0.00317 -0.00284 -0.00109 0.00213 -0.00158
|
|
91 21H-5 0.00322 0.00391 0.00136 -0.00206 -0.00263
|
|
92 2 O 1S -0.01245 -0.01159 -0.00842 -0.00704 0.01584
|
|
93 2S 0.05858 0.04998 0.00250 0.03764 -0.03206
|
|
94 3S 0.15079 0.11615 -0.04214 0.11409 -0.03967
|
|
95 4S -0.09976 -0.14671 -0.66383 -0.02160 0.67984
|
|
96 5S -3.94909 -1.64031 6.92001 -4.53560 -3.83041
|
|
97 6S 0.46050 2.39220 9.30980 -2.62447 -2.36829
|
|
98 7PX 0.01192 -0.00520 0.00671 0.01668 -0.02853
|
|
99 7PY -0.01765 -0.02622 0.05472 0.00124 -0.02953
|
|
100 7PZ 0.04259 0.00861 -0.01561 -0.00232 -0.01449
|
|
101 8PX -0.13365 -0.07139 0.22423 -0.08615 -0.05365
|
|
102 8PY -0.01554 -0.02543 0.04875 -0.01163 0.01803
|
|
103 8PZ 0.04910 0.04663 -0.14055 0.10132 0.07983
|
|
104 9PX 1.15723 0.34386 -1.46861 1.41094 -0.10743
|
|
105 9PY -0.24965 -0.47456 0.19489 0.40743 -0.36422
|
|
106 9PZ -0.17355 -0.16889 0.84371 -1.00135 -0.43550
|
|
107 10PX 3.10209 2.43832 -5.13865 -0.04038 4.74487
|
|
108 10PY 5.31420 7.25221 -0.27163 -4.13127 1.33968
|
|
109 10PZ -1.66387 -3.71000 4.12703 1.12498 -1.80544
|
|
110 11PX 0.88934 0.22880 -1.14462 0.24701 0.65601
|
|
111 11PY 1.10569 1.12816 0.32164 -0.00588 0.45291
|
|
112 11PZ 0.04090 -0.51158 0.92991 -0.27395 -0.27509
|
|
113 12D 0 0.00284 -0.00940 -0.00095 -0.00232 0.00357
|
|
114 12D+1 -0.00300 0.00468 -0.00427 -0.00407 0.00464
|
|
115 12D-1 0.00146 0.00680 0.00165 -0.00471 -0.00095
|
|
116 12D+2 -0.00742 -0.00388 0.00091 0.00475 0.00142
|
|
117 12D-2 0.00070 0.00080 -0.00356 -0.00184 -0.00946
|
|
118 13D 0 -0.01748 0.05832 0.00172 -0.00406 -0.02580
|
|
119 13D+1 0.00355 -0.04191 0.04149 0.02665 -0.03591
|
|
120 13D-1 -0.01478 -0.04682 -0.00442 0.03466 -0.00839
|
|
121 13D+2 0.04211 0.01826 -0.01656 -0.01410 -0.00025
|
|
122 13D-2 0.01325 0.00312 0.02066 -0.02376 0.06734
|
|
123 14D 0 0.16640 -0.22320 -0.02582 0.01365 0.17446
|
|
124 14D+1 0.35124 0.38319 -0.83976 0.37151 0.32983
|
|
125 14D-1 0.15610 0.28083 -0.10222 -0.07899 0.07719
|
|
126 14D+2 -0.44041 -0.14426 0.54501 -0.31523 -0.07383
|
|
127 14D-2 -0.19790 -0.11666 0.08350 -0.07840 -0.42252
|
|
128 15D 0 -0.42656 -1.75696 0.21384 0.85519 -0.49103
|
|
129 15D+1 0.22996 1.10261 -1.59510 -0.88658 1.44738
|
|
130 15D-1 -0.18596 -0.40580 0.13382 -0.81426 0.45040
|
|
131 15D+2 -2.17568 -2.88477 1.32585 1.07807 -1.66888
|
|
132 15D-2 -0.46584 -0.83140 -0.01941 1.11901 1.23702
|
|
133 16F 0 -0.00327 -0.00257 0.00173 -0.00157 -0.00397
|
|
134 16F+1 -0.00792 -0.00116 0.00505 0.00655 0.00359
|
|
135 16F-1 -0.00034 -0.00354 -0.00452 0.00151 -0.00147
|
|
136 16F+2 0.00137 0.00152 -0.00858 0.00591 0.00558
|
|
137 16F-2 0.00688 0.00265 -0.00695 -0.00158 0.00479
|
|
138 16F+3 -0.00086 0.00074 0.00182 -0.00487 -0.00222
|
|
139 16F-3 -0.00188 -0.00139 0.00237 0.00028 -0.00288
|
|
140 17F 0 0.03132 0.01529 -0.03774 0.03424 0.03485
|
|
141 17F+1 0.04142 0.01218 -0.04184 -0.00585 -0.00944
|
|
142 17F-1 0.01248 0.03125 0.01147 -0.00675 0.01587
|
|
143 17F+2 -0.04317 -0.02483 0.08953 -0.07076 -0.03115
|
|
144 17F-2 -0.04408 -0.02278 0.05201 -0.01503 -0.04038
|
|
145 17F+3 0.02026 -0.00520 -0.03462 0.05170 0.02875
|
|
146 17F-3 0.03342 0.02759 -0.03640 0.01056 0.03528
|
|
147 18F 0 0.09619 0.04512 -0.16830 -0.08862 0.12482
|
|
148 18F+1 -0.28538 0.29012 -0.15754 -0.00549 0.08099
|
|
149 18F-1 -0.22894 -0.27204 -0.12366 0.04448 -0.00710
|
|
150 18F+2 0.01077 -0.08664 0.31161 0.16203 -0.20742
|
|
151 18F-2 -0.00941 -0.22588 -0.06357 0.35281 -0.11180
|
|
152 18F+3 0.04018 -0.04005 -0.26100 0.05189 0.04364
|
|
153 18F-3 -0.07111 -0.15196 0.00925 -0.20721 0.14300
|
|
154 19G 0 0.00028 -0.00245 -0.00168 0.00666 -0.00133
|
|
155 19G+1 -0.00235 -0.00331 0.00360 -0.00215 0.00050
|
|
156 19G-1 -0.00202 -0.00340 0.00172 -0.00132 0.00051
|
|
157 19G+2 -0.00605 -0.00425 0.00370 -0.00402 -0.00373
|
|
158 19G-2 -0.00143 -0.00175 0.00110 -0.00401 0.00272
|
|
159 19G+3 0.00433 -0.00047 -0.00349 0.00542 0.00095
|
|
160 19G-3 -0.00104 -0.00276 -0.00415 0.00813 0.00233
|
|
161 19G+4 -0.00570 -0.00598 0.00264 -0.00107 -0.00025
|
|
162 19G-4 -0.00106 0.00027 0.00403 -0.00415 0.00599
|
|
163 20G 0 0.01125 0.03768 -0.02077 -0.03081 0.01788
|
|
164 20G+1 -0.00389 0.01902 0.00126 0.00170 -0.02866
|
|
165 20G-1 0.00471 0.01534 -0.00391 0.01098 -0.00793
|
|
166 20G+2 0.03408 0.01190 0.01817 0.01193 0.01163
|
|
167 20G-2 0.00017 -0.01019 0.01072 0.02971 -0.02575
|
|
168 20G+3 -0.01673 0.00464 -0.02423 -0.00381 0.01558
|
|
169 20G-3 0.03362 0.04540 -0.01019 -0.05839 0.01788
|
|
170 20G+4 0.04022 0.05223 0.00699 -0.01613 -0.01021
|
|
171 20G-4 -0.01464 -0.01712 -0.00198 0.03639 -0.05599
|
|
172 21H 0 -0.00006 -0.00010 -0.00009 0.00064 -0.00257
|
|
173 21H+1 0.00121 -0.00119 0.00145 0.00125 -0.00203
|
|
174 21H-1 0.00165 0.00163 0.00114 0.00096 0.00097
|
|
175 21H+2 -0.00230 -0.00184 0.00016 -0.00036 0.00338
|
|
176 21H-2 0.00095 0.00074 -0.00011 -0.00157 0.00043
|
|
177 21H+3 -0.00199 -0.00038 0.00014 -0.00039 0.00067
|
|
178 21H-3 0.00270 0.00450 -0.00319 -0.00159 0.00250
|
|
179 21H+4 0.00308 0.00255 -0.00124 -0.00067 -0.00150
|
|
180 21H-4 -0.00108 -0.00253 0.00420 0.00610 -0.00284
|
|
181 21H+5 -0.00317 -0.00284 0.00109 0.00213 0.00158
|
|
182 21H-5 0.00322 0.00391 -0.00136 -0.00206 0.00263
|
|
183 3 H 1S -0.01714 -0.00654 -0.00621 -0.01983 -0.00621
|
|
184 2S 0.50779 0.25975 0.70980 0.71866 -0.26838
|
|
185 3S -4.20134 -5.00660 -7.86745 0.07576 5.98743
|
|
186 4S -5.21880 -2.85654 -9.22406 -2.94790 0.90181
|
|
187 5S -0.15476 -0.06612 0.19944 -0.21055 0.18091
|
|
188 6PX 0.01506 -0.00278 -0.00402 -0.02188 0.00814
|
|
189 6PY -0.00860 0.00386 -0.00272 0.01549 -0.02571
|
|
190 6PZ -0.01027 0.00395 -0.00871 0.02256 0.00149
|
|
191 7PX -0.15385 -0.04733 -0.09780 -0.01906 -0.01430
|
|
192 7PY 0.03224 -0.00842 -0.03066 -0.13327 0.12615
|
|
193 7PZ -0.03806 -0.02563 -0.03139 -0.19072 0.01469
|
|
194 8PX 1.73260 1.50152 2.80051 0.07088 -1.48583
|
|
195 8PY -0.10968 0.15008 0.74207 1.02474 -1.08644
|
|
196 8PZ 1.00496 0.75000 1.65767 1.02753 -1.17387
|
|
197 9PX 2.15839 2.33442 4.26836 1.97929 -0.70802
|
|
198 9PY 0.65212 -0.23646 2.54402 1.51745 0.76280
|
|
199 9PZ 3.01228 0.29292 2.52079 1.49974 -0.27514
|
|
200 10D 0 -0.01840 -0.00451 0.00647 -0.01558 0.01924
|
|
201 10D+1 0.00226 0.02408 0.02657 0.00973 -0.03061
|
|
202 10D-1 -0.00575 0.01010 -0.01570 0.00671 -0.00153
|
|
203 10D+2 0.02023 -0.01925 0.02766 0.01683 0.03108
|
|
204 10D-2 0.00314 -0.01738 -0.02024 -0.00589 0.00066
|
|
205 11D 0 0.08965 0.04579 -0.00817 0.07243 -0.08712
|
|
206 11D+1 -0.12617 -0.21027 -0.35413 -0.08333 0.30317
|
|
207 11D-1 0.01886 -0.05462 0.02544 -0.05861 0.02931
|
|
208 11D+2 -0.17957 0.00174 -0.29988 -0.09589 -0.05825
|
|
209 11D-2 -0.02100 0.06912 0.02326 -0.01789 0.03281
|
|
210 12D 0 -0.85218 0.46918 0.45867 -0.28470 0.45651
|
|
211 12D+1 -1.61835 0.13570 -1.16289 -1.59332 -0.26286
|
|
212 12D-1 -0.29937 0.52490 -1.09402 -0.92734 -0.00009
|
|
213 12D+2 -0.39453 -1.30384 -0.66391 -0.37899 0.91976
|
|
214 12D-2 -0.10068 -0.32378 -1.57126 -1.47644 -0.06010
|
|
215 13F 0 -0.01044 -0.00901 -0.01325 0.00621 0.00692
|
|
216 13F+1 -0.00254 0.00711 0.00748 0.00247 -0.00569
|
|
217 13F-1 -0.00013 0.00304 -0.00229 0.00081 0.00015
|
|
218 13F+2 0.00807 0.00795 0.02080 0.00346 -0.02054
|
|
219 13F-2 0.00067 0.00580 0.00641 -0.00233 -0.01078
|
|
220 13F+3 0.01438 0.00560 0.01389 -0.00641 0.00450
|
|
221 13F-3 -0.00042 0.00336 0.00068 0.00438 -0.00801
|
|
222 14F 0 -0.05033 -0.03848 -0.13520 -0.18172 -0.00001
|
|
223 14F+1 0.16922 -0.10156 0.03016 0.11264 -0.05830
|
|
224 14F-1 0.01868 -0.05566 0.04581 0.04777 -0.00943
|
|
225 14F+2 0.19999 0.09463 0.18095 0.17329 -0.00790
|
|
226 14F-2 0.03783 -0.07561 0.16705 0.25448 0.06756
|
|
227 14F+3 0.04122 0.10967 0.08817 0.07822 -0.09781
|
|
228 14F-3 0.02962 -0.00339 0.17860 0.15999 0.06927
|
|
229 15G 0 0.00907 -0.00214 0.00691 0.01174 -0.00193
|
|
230 15G+1 0.00129 0.00860 0.01089 0.00454 0.00385
|
|
231 15G-1 -0.00039 0.00042 0.00328 0.00389 0.00242
|
|
232 15G+2 -0.01292 0.00136 -0.00516 -0.01078 0.00405
|
|
233 15G-2 -0.00258 0.00597 -0.00652 -0.01118 0.00012
|
|
234 15G+3 -0.01227 -0.01045 -0.00940 -0.00573 0.00731
|
|
235 15G-3 -0.00325 0.00259 -0.01561 -0.01899 -0.00432
|
|
236 15G+4 -0.00487 -0.00839 -0.00322 0.00126 0.00526
|
|
237 15G-4 -0.00108 -0.00233 -0.00988 -0.01062 -0.00234
|
|
238 4 H 1S 0.01714 0.00654 -0.00621 0.01983 -0.00621
|
|
239 2S -0.50779 -0.25975 0.70980 -0.71866 -0.26838
|
|
240 3S 4.20134 5.00660 -7.86745 -0.07576 5.98743
|
|
241 4S 5.21880 2.85654 -9.22406 2.94790 0.90181
|
|
242 5S 0.15476 0.06612 0.19944 0.21055 0.18091
|
|
243 6PX 0.01506 -0.00278 0.00402 -0.02188 -0.00814
|
|
244 6PY -0.00860 0.00386 0.00272 0.01549 0.02571
|
|
245 6PZ 0.01027 -0.00395 -0.00871 -0.02256 0.00149
|
|
246 7PX -0.15385 -0.04733 0.09780 -0.01906 0.01430
|
|
247 7PY 0.03224 -0.00842 0.03066 -0.13327 -0.12615
|
|
248 7PZ 0.03806 0.02563 -0.03139 0.19072 0.01469
|
|
249 8PX 1.73260 1.50152 -2.80051 0.07088 1.48583
|
|
250 8PY -0.10968 0.15008 -0.74207 1.02474 1.08644
|
|
251 8PZ -1.00496 -0.75000 1.65767 -1.02753 -1.17387
|
|
252 9PX 2.15839 2.33442 -4.26836 1.97929 0.70802
|
|
253 9PY 0.65212 -0.23646 -2.54402 1.51745 -0.76280
|
|
254 9PZ -3.01228 -0.29292 2.52079 -1.49974 -0.27514
|
|
255 10D 0 0.01840 0.00451 0.00647 0.01558 0.01924
|
|
256 10D+1 0.00226 0.02408 -0.02657 0.00973 0.03061
|
|
257 10D-1 -0.00575 0.01010 0.01570 0.00671 0.00153
|
|
258 10D+2 -0.02023 0.01925 0.02766 -0.01683 0.03108
|
|
259 10D-2 -0.00314 0.01738 -0.02024 0.00589 0.00066
|
|
260 11D 0 -0.08965 -0.04579 -0.00817 -0.07243 -0.08712
|
|
261 11D+1 -0.12617 -0.21027 0.35413 -0.08333 -0.30317
|
|
262 11D-1 0.01886 -0.05462 -0.02544 -0.05861 -0.02931
|
|
263 11D+2 0.17957 -0.00174 -0.29988 0.09589 -0.05825
|
|
264 11D-2 0.02100 -0.06912 0.02326 0.01789 0.03281
|
|
265 12D 0 0.85218 -0.46918 0.45867 0.28470 0.45651
|
|
266 12D+1 -1.61835 0.13570 1.16289 -1.59332 0.26286
|
|
267 12D-1 -0.29937 0.52490 1.09402 -0.92734 0.00009
|
|
268 12D+2 0.39453 1.30384 -0.66391 0.37899 0.91976
|
|
269 12D-2 0.10068 0.32378 -1.57126 1.47644 -0.06010
|
|
270 13F 0 0.01044 0.00901 -0.01325 -0.00621 0.00692
|
|
271 13F+1 -0.00254 0.00711 -0.00748 0.00247 0.00569
|
|
272 13F-1 -0.00013 0.00304 0.00229 0.00081 -0.00015
|
|
273 13F+2 -0.00807 -0.00795 0.02080 -0.00346 -0.02054
|
|
274 13F-2 -0.00067 -0.00580 0.00641 0.00233 -0.01078
|
|
275 13F+3 0.01438 0.00560 -0.01389 -0.00641 -0.00450
|
|
276 13F-3 -0.00042 0.00336 -0.00068 0.00438 0.00801
|
|
277 14F 0 0.05033 0.03848 -0.13520 0.18172 -0.00001
|
|
278 14F+1 0.16922 -0.10156 -0.03016 0.11264 0.05830
|
|
279 14F-1 0.01868 -0.05566 -0.04581 0.04777 0.00943
|
|
280 14F+2 -0.19999 -0.09463 0.18095 -0.17329 -0.00790
|
|
281 14F-2 -0.03783 0.07561 0.16705 -0.25448 0.06756
|
|
282 14F+3 0.04122 0.10967 -0.08817 0.07822 0.09781
|
|
283 14F-3 0.02962 -0.00339 -0.17860 0.15999 -0.06927
|
|
284 15G 0 -0.00907 0.00214 0.00691 -0.01174 -0.00193
|
|
285 15G+1 0.00129 0.00860 -0.01089 0.00454 -0.00385
|
|
286 15G-1 -0.00039 0.00042 -0.00328 0.00389 -0.00242
|
|
287 15G+2 0.01292 -0.00136 -0.00516 0.01078 0.00405
|
|
288 15G-2 0.00258 -0.00597 -0.00652 0.01118 0.00012
|
|
289 15G+3 -0.01227 -0.01045 0.00940 -0.00573 -0.00731
|
|
290 15G-3 -0.00325 0.00259 0.01561 -0.01899 0.00432
|
|
291 15G+4 0.00487 0.00839 -0.00322 -0.00126 0.00526
|
|
292 15G-4 0.00108 0.00233 -0.00988 0.01062 -0.00234
|
|
56 57 58 59 60
|
|
V V V V V
|
|
Eigenvalues -- 2.16844 2.21460 2.28519 2.30282 2.42540
|
|
1 1 O 1S 0.02080 -0.00510 -0.00264 0.01104 0.02521
|
|
2 2S -0.05976 0.02381 0.00870 -0.02224 -0.02931
|
|
3 3S -0.10217 0.06573 0.01492 -0.00682 0.06284
|
|
4 4S 0.44235 0.05005 0.11827 -0.13856 -0.13634
|
|
5 5S -0.19213 -3.42791 -1.16279 1.02892 -0.59685
|
|
6 6S -6.57239 -3.21205 0.32342 0.93553 -1.38262
|
|
7 7PX -0.01517 0.00201 0.01607 0.01121 0.01420
|
|
8 7PY -0.03692 -0.01601 0.04425 -0.00260 0.00705
|
|
9 7PZ 0.01814 -0.02297 -0.01133 -0.02003 0.01047
|
|
10 8PX 0.04111 0.06733 0.02938 -0.02858 0.11979
|
|
11 8PY 0.02709 -0.00007 0.01935 0.03167 0.15689
|
|
12 8PZ -0.00140 0.06959 0.01959 0.01060 0.07307
|
|
13 9PX -0.25996 -0.96079 0.13785 0.35304 -0.30901
|
|
14 9PY -0.91560 -0.53537 0.73077 -0.09220 -0.49379
|
|
15 9PZ 0.22775 -0.95972 -0.07123 -0.07755 -0.16576
|
|
16 10PX 0.82786 2.02924 -4.03754 1.95809 -1.11169
|
|
17 10PY 6.77000 4.55259 -4.52628 -0.97512 -2.26876
|
|
18 10PZ -0.28397 -0.01573 -2.96129 -1.49240 0.11492
|
|
19 11PX 0.04078 -0.22761 -0.83110 0.22641 0.12436
|
|
20 11PY 1.13393 0.24449 -0.88485 -0.10911 0.00774
|
|
21 11PZ -0.12470 -0.06798 -0.47773 -0.00831 0.09867
|
|
22 12D 0 0.00829 0.00448 -0.00450 0.00360 -0.00171
|
|
23 12D+1 -0.00215 0.00421 0.00340 -0.00086 -0.00997
|
|
24 12D-1 -0.00294 0.00411 0.00145 0.00372 -0.00050
|
|
25 12D+2 0.01090 0.00379 -0.01191 -0.00317 -0.01025
|
|
26 12D-2 -0.00268 -0.00221 -0.00396 -0.00194 -0.00366
|
|
27 13D 0 -0.04255 -0.00118 0.02582 0.01512 -0.01547
|
|
28 13D+1 0.00863 -0.01475 0.00979 0.00975 0.02432
|
|
29 13D-1 0.01636 -0.02413 -0.02240 0.00707 0.02112
|
|
30 13D+2 -0.05732 -0.03879 0.08656 -0.01333 0.02822
|
|
31 13D-2 0.00673 -0.01198 0.01062 0.01811 0.05704
|
|
32 14D 0 0.12781 0.01388 -0.08052 -0.11002 -0.01106
|
|
33 14D+1 -0.06545 -0.28500 -0.11585 0.03480 -0.37020
|
|
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|
|
267 12D-1 0.10730 0.47871 1.12774 0.70744 0.54884
|
|
268 12D+2 -0.31658 -1.27829 0.52242 0.88956 0.19135
|
|
269 12D-2 0.23142 -0.73227 -1.07280 -0.60943 -1.43289
|
|
270 13F 0 -0.00774 0.00220 -0.00913 0.00067 0.00645
|
|
271 13F+1 0.00278 0.00366 -0.00352 -0.00645 0.01074
|
|
272 13F-1 -0.00227 -0.00217 -0.00165 -0.00526 0.00560
|
|
273 13F+2 -0.00924 -0.00261 0.00862 -0.00207 -0.01803
|
|
274 13F-2 0.01097 -0.00430 0.00612 0.00479 -0.00011
|
|
275 13F+3 0.00043 -0.00113 -0.00947 0.00312 0.01769
|
|
276 13F-3 -0.00972 -0.00411 -0.00629 -0.00112 0.00648
|
|
277 14F 0 0.04607 -0.15715 0.00301 0.02215 -0.01117
|
|
278 14F+1 0.00593 0.02105 0.03505 -0.17392 0.09701
|
|
279 14F-1 0.01028 0.01104 -0.01187 -0.01811 -0.02581
|
|
280 14F+2 0.03743 0.16665 -0.05854 0.02762 -0.09615
|
|
281 14F-2 -0.01727 0.16035 0.07785 0.09897 0.12094
|
|
282 14F+3 0.00057 -0.09504 0.09932 0.09532 0.04325
|
|
283 14F-3 0.02376 -0.12311 -0.04826 -0.06218 -0.16076
|
|
284 15G 0 -0.00220 0.00309 -0.00012 0.00771 -0.00436
|
|
285 15G+1 0.00147 -0.01398 -0.00287 0.01137 -0.00507
|
|
286 15G-1 0.00019 -0.00442 -0.00156 0.00000 -0.00331
|
|
287 15G+2 0.00256 -0.00001 0.00291 -0.01181 0.01072
|
|
288 15G-2 -0.00161 -0.00265 -0.00319 -0.00706 -0.00145
|
|
289 15G+3 -0.00005 0.00804 -0.00698 -0.00467 -0.01069
|
|
290 15G-3 0.00308 0.01204 0.00616 0.00772 0.00957
|
|
291 15G+4 -0.00069 -0.00436 0.00597 0.00863 0.00854
|
|
292 15G-4 -0.00209 -0.00931 -0.00242 -0.00195 -0.00741
|
|
61 62 63 64 65
|
|
V V V V V
|
|
Eigenvalues -- 2.54548 2.60556 2.61062 2.64202 2.67355
|
|
1 1 O 1S -0.00626 -0.00338 0.03141 -0.03250 -0.03725
|
|
2 2S 0.01590 -0.00931 -0.05680 0.06389 0.03633
|
|
3 3S 0.00514 -0.03259 0.01350 -0.00068 -0.12084
|
|
4 4S 0.24173 -0.07123 -0.19908 0.28383 0.49618
|
|
5 5S -0.90049 -1.50437 -1.53672 0.43641 -0.76163
|
|
6 6S -0.46208 -1.39697 -4.40756 2.45737 5.99721
|
|
7 7PX 0.02371 -0.01905 -0.03336 0.04047 -0.00777
|
|
8 7PY 0.01176 -0.03536 -0.02200 -0.02233 0.01807
|
|
9 7PZ -0.00902 -0.02891 -0.02242 0.01900 0.00078
|
|
10 8PX 0.04416 -0.06642 -0.04371 0.10347 -0.08707
|
|
11 8PY -0.05046 0.01649 -0.05943 0.05590 -0.02262
|
|
12 8PZ 0.00413 -0.04367 -0.03136 0.04335 -0.02590
|
|
13 9PX 0.02620 -0.31456 -0.15822 -0.00554 -0.14731
|
|
14 9PY 0.25959 -0.49486 0.03458 -0.30011 0.20029
|
|
15 9PZ -0.15117 -0.39488 -0.05729 0.01227 -0.11646
|
|
16 10PX -1.22538 1.03575 -1.88332 0.61157 2.90377
|
|
17 10PY 0.33548 0.82305 -0.88918 -1.49298 -0.65678
|
|
18 10PZ -0.69310 0.97654 -0.95007 0.72708 2.27923
|
|
19 11PX 0.20860 -0.29086 -0.80806 0.27665 0.82102
|
|
20 11PY 0.25117 -0.28725 -0.19138 -0.37679 -0.34504
|
|
21 11PZ -0.04185 -0.37467 -0.49923 0.11345 0.69985
|
|
22 12D 0 0.00416 -0.00304 0.00795 -0.00062 -0.00203
|
|
23 12D+1 -0.00121 0.01651 -0.00261 -0.00346 0.01360
|
|
24 12D-1 -0.01769 0.00078 -0.00198 -0.00444 0.01108
|
|
25 12D+2 -0.00300 0.00467 0.00875 -0.00548 0.00388
|
|
26 12D-2 0.00451 0.01079 0.00182 0.00863 0.00226
|
|
27 13D 0 -0.00638 0.01157 -0.02549 -0.00221 -0.00528
|
|
28 13D+1 0.01561 -0.05646 0.01552 -0.00651 -0.07209
|
|
29 13D-1 0.02998 0.00430 0.00284 0.01955 -0.02702
|
|
30 13D+2 0.01578 -0.03236 -0.00099 0.00658 -0.04654
|
|
31 13D-2 -0.01883 -0.01560 0.01649 0.00975 0.00217
|
|
32 14D 0 0.06285 -0.07967 0.17796 0.05182 0.01981
|
|
33 14D+1 -0.21462 0.40495 0.11139 -0.19466 0.30263
|
|
34 14D-1 -0.29007 -0.01603 0.01017 -0.23994 0.16563
|
|
35 14D+2 -0.14630 0.20368 0.26286 -0.16594 0.18416
|
|
36 14D-2 0.11438 0.13410 0.09826 -0.07943 -0.02283
|
|
37 15D 0 -0.40180 0.22966 0.27119 0.08350 -0.00649
|
|
38 15D+1 -0.28061 0.43208 -0.67667 0.45527 1.15966
|
|
39 15D-1 0.39763 -0.59018 -0.39465 -0.46314 -0.56551
|
|
40 15D+2 -0.35730 1.23022 -0.79011 0.20652 0.49794
|
|
41 15D-2 0.78447 -0.51998 -0.86456 -0.89337 -0.48907
|
|
42 16F 0 -0.01812 0.00740 0.01189 -0.00256 0.00087
|
|
43 16F+1 0.01078 0.00139 -0.00534 0.00657 -0.00088
|
|
44 16F-1 -0.01448 0.00463 -0.01096 0.00546 -0.00699
|
|
45 16F+2 -0.00255 -0.01179 -0.01250 0.00349 0.01741
|
|
46 16F-2 -0.00294 -0.00651 -0.00512 -0.00143 0.00460
|
|
47 16F+3 0.00006 0.00811 -0.00661 0.01231 -0.00616
|
|
48 16F-3 0.00985 0.00539 -0.00333 0.01448 0.01320
|
|
49 17F 0 0.08001 -0.03807 -0.06606 0.02362 0.00262
|
|
50 17F+1 -0.05622 -0.00038 0.03307 -0.03321 0.00084
|
|
51 17F-1 0.05310 -0.01770 0.04282 -0.03033 0.02304
|
|
52 17F+2 -0.01498 0.06804 0.07799 -0.03816 -0.07188
|
|
53 17F-2 0.00836 0.02489 0.03713 -0.01790 -0.02273
|
|
54 17F+3 -0.01064 -0.01926 0.05120 -0.05519 0.03092
|
|
55 17F-3 -0.04298 -0.01693 0.02295 -0.08159 -0.06541
|
|
56 18F 0 -0.40104 -0.04649 0.29950 0.13480 -0.19405
|
|
57 18F+1 0.01467 0.12573 -0.04888 0.27697 0.16939
|
|
58 18F-1 -0.33772 0.06020 -0.21815 0.15495 -0.19923
|
|
59 18F+2 -0.30112 0.20724 -0.24701 0.22973 0.85763
|
|
60 18F-2 0.17017 -0.25135 -0.12374 -0.52705 0.00810
|
|
61 18F+3 -0.22974 0.59702 -0.33130 0.44969 0.09227
|
|
62 18F-3 0.44965 0.03532 -0.08040 -0.07855 0.28772
|
|
63 19G 0 -0.00093 -0.00052 -0.00341 0.00094 -0.00122
|
|
64 19G+1 0.00259 -0.00107 -0.00227 -0.00098 0.00194
|
|
65 19G-1 0.00404 -0.00239 -0.00065 0.00063 -0.00283
|
|
66 19G+2 -0.00143 0.00106 -0.00024 -0.00459 -0.00739
|
|
67 19G-2 -0.00238 0.00050 -0.00093 -0.00124 0.00142
|
|
68 19G+3 -0.00048 -0.00412 0.00437 -0.00888 -0.00317
|
|
69 19G-3 -0.00218 0.00232 0.00335 0.00451 -0.00170
|
|
70 19G+4 0.00197 -0.00206 0.00119 -0.00407 -0.00428
|
|
71 19G-4 -0.00336 -0.00148 -0.00265 -0.00070 -0.00246
|
|
72 20G 0 0.01936 -0.02027 -0.00306 0.01240 -0.01093
|
|
73 20G+1 -0.01729 -0.02035 -0.00043 0.03569 -0.02645
|
|
74 20G-1 -0.02612 0.01309 -0.00131 0.01137 0.01585
|
|
75 20G+2 -0.02472 0.02635 0.02140 0.02614 0.06071
|
|
76 20G-2 0.01578 -0.00317 0.02011 -0.01987 -0.01035
|
|
77 20G+3 -0.03394 0.08370 -0.00171 0.05429 0.05224
|
|
78 20G-3 0.03022 -0.00738 0.00536 -0.09784 0.00761
|
|
79 20G+4 -0.03329 0.05069 0.00022 0.04378 0.04438
|
|
80 20G-4 0.03235 0.01727 0.03170 -0.04333 0.01432
|
|
81 21H 0 0.00205 0.00028 0.00007 -0.00327 0.00124
|
|
82 21H+1 0.00110 -0.00532 -0.00311 0.00556 -0.00684
|
|
83 21H-1 -0.00345 -0.00048 -0.00181 0.00216 -0.00239
|
|
84 21H+2 -0.00399 -0.00127 -0.00073 0.00139 -0.00041
|
|
85 21H-2 -0.00309 -0.00012 0.00054 0.00273 -0.00145
|
|
86 21H+3 -0.00436 0.00872 0.00395 0.00354 0.00734
|
|
87 21H-3 0.00136 0.00098 0.00232 -0.00851 -0.00089
|
|
88 21H+4 -0.00864 0.01223 0.00069 0.00490 0.00821
|
|
89 21H-4 0.00401 0.00345 0.00372 -0.01377 0.00335
|
|
90 21H+5 -0.00380 0.00908 0.00282 0.00855 0.00308
|
|
91 21H-5 0.00232 0.00287 0.00048 -0.00725 0.00164
|
|
92 2 O 1S -0.00626 0.00338 0.03141 0.03250 -0.03725
|
|
93 2S 0.01590 0.00931 -0.05680 -0.06389 0.03633
|
|
94 3S 0.00514 0.03259 0.01350 0.00068 -0.12084
|
|
95 4S 0.24173 0.07123 -0.19908 -0.28383 0.49618
|
|
96 5S -0.90049 1.50437 -1.53672 -0.43641 -0.76163
|
|
97 6S -0.46208 1.39697 -4.40756 -2.45737 5.99721
|
|
98 7PX -0.02371 -0.01905 0.03336 0.04047 0.00777
|
|
99 7PY -0.01176 -0.03536 0.02200 -0.02233 -0.01807
|
|
100 7PZ -0.00902 0.02891 -0.02242 -0.01900 0.00078
|
|
101 8PX -0.04416 -0.06642 0.04371 0.10347 0.08707
|
|
102 8PY 0.05046 0.01649 0.05943 0.05590 0.02262
|
|
103 8PZ 0.00413 0.04367 -0.03136 -0.04335 -0.02590
|
|
104 9PX -0.02620 -0.31456 0.15822 -0.00554 0.14731
|
|
105 9PY -0.25959 -0.49486 -0.03458 -0.30011 -0.20029
|
|
106 9PZ -0.15117 0.39488 -0.05729 -0.01227 -0.11646
|
|
107 10PX 1.22538 1.03575 1.88332 0.61157 -2.90377
|
|
108 10PY -0.33548 0.82305 0.88918 -1.49298 0.65678
|
|
109 10PZ -0.69310 -0.97654 -0.95007 -0.72708 2.27923
|
|
110 11PX -0.20860 -0.29086 0.80806 0.27665 -0.82102
|
|
111 11PY -0.25117 -0.28725 0.19138 -0.37679 0.34504
|
|
112 11PZ -0.04185 0.37467 -0.49923 -0.11345 0.69985
|
|
113 12D 0 0.00416 0.00304 0.00795 0.00062 -0.00203
|
|
114 12D+1 0.00121 0.01651 0.00261 -0.00346 -0.01360
|
|
115 12D-1 0.01769 0.00078 0.00198 -0.00444 -0.01108
|
|
116 12D+2 -0.00300 -0.00467 0.00875 0.00548 0.00388
|
|
117 12D-2 0.00451 -0.01079 0.00182 -0.00863 0.00226
|
|
118 13D 0 -0.00638 -0.01157 -0.02549 0.00221 -0.00528
|
|
119 13D+1 -0.01561 -0.05646 -0.01552 -0.00651 0.07209
|
|
120 13D-1 -0.02998 0.00430 -0.00284 0.01955 0.02702
|
|
121 13D+2 0.01578 0.03236 -0.00099 -0.00658 -0.04654
|
|
122 13D-2 -0.01883 0.01560 0.01649 -0.00975 0.00217
|
|
123 14D 0 0.06285 0.07967 0.17796 -0.05182 0.01981
|
|
124 14D+1 0.21462 0.40495 -0.11139 -0.19466 -0.30263
|
|
125 14D-1 0.29007 -0.01603 -0.01017 -0.23994 -0.16563
|
|
126 14D+2 -0.14630 -0.20368 0.26286 0.16594 0.18416
|
|
127 14D-2 0.11438 -0.13410 0.09826 0.07943 -0.02283
|
|
128 15D 0 -0.40180 -0.22966 0.27119 -0.08350 -0.00649
|
|
129 15D+1 0.28061 0.43208 0.67667 0.45527 -1.15966
|
|
130 15D-1 -0.39763 -0.59018 0.39465 -0.46314 0.56551
|
|
131 15D+2 -0.35730 -1.23022 -0.79011 -0.20652 0.49794
|
|
132 15D-2 0.78447 0.51998 -0.86456 0.89337 -0.48907
|
|
133 16F 0 -0.01812 -0.00740 0.01189 0.00256 0.00087
|
|
134 16F+1 -0.01078 0.00139 0.00534 0.00657 0.00088
|
|
135 16F-1 0.01448 0.00463 0.01096 0.00546 0.00699
|
|
136 16F+2 -0.00255 0.01179 -0.01250 -0.00349 0.01741
|
|
137 16F-2 -0.00294 0.00651 -0.00512 0.00143 0.00460
|
|
138 16F+3 -0.00006 0.00811 0.00661 0.01231 0.00616
|
|
139 16F-3 -0.00985 0.00539 0.00333 0.01448 -0.01320
|
|
140 17F 0 0.08001 0.03807 -0.06606 -0.02362 0.00262
|
|
141 17F+1 0.05622 -0.00038 -0.03307 -0.03321 -0.00084
|
|
142 17F-1 -0.05310 -0.01770 -0.04282 -0.03033 -0.02304
|
|
143 17F+2 -0.01498 -0.06804 0.07799 0.03816 -0.07188
|
|
144 17F-2 0.00836 -0.02489 0.03713 0.01790 -0.02273
|
|
145 17F+3 0.01064 -0.01926 -0.05120 -0.05519 -0.03092
|
|
146 17F-3 0.04298 -0.01693 -0.02295 -0.08159 0.06541
|
|
147 18F 0 -0.40104 0.04649 0.29950 -0.13480 -0.19405
|
|
148 18F+1 -0.01467 0.12573 0.04888 0.27697 -0.16939
|
|
149 18F-1 0.33772 0.06020 0.21815 0.15495 0.19923
|
|
150 18F+2 -0.30112 -0.20724 -0.24701 -0.22973 0.85763
|
|
151 18F-2 0.17017 0.25135 -0.12374 0.52705 0.00810
|
|
152 18F+3 0.22974 0.59702 0.33130 0.44969 -0.09227
|
|
153 18F-3 -0.44965 0.03532 0.08040 -0.07855 -0.28772
|
|
154 19G 0 -0.00093 0.00052 -0.00341 -0.00094 -0.00122
|
|
155 19G+1 -0.00259 -0.00107 0.00227 -0.00098 -0.00194
|
|
156 19G-1 -0.00404 -0.00239 0.00065 0.00063 0.00283
|
|
157 19G+2 -0.00143 -0.00106 -0.00024 0.00459 -0.00739
|
|
158 19G-2 -0.00238 -0.00050 -0.00093 0.00124 0.00142
|
|
159 19G+3 0.00048 -0.00412 -0.00437 -0.00888 0.00317
|
|
160 19G-3 0.00218 0.00232 -0.00335 0.00451 0.00170
|
|
161 19G+4 0.00197 0.00206 0.00119 0.00407 -0.00428
|
|
162 19G-4 -0.00336 0.00148 -0.00265 0.00070 -0.00246
|
|
163 20G 0 0.01936 0.02027 -0.00306 -0.01240 -0.01093
|
|
164 20G+1 0.01729 -0.02035 0.00043 0.03569 0.02645
|
|
165 20G-1 0.02612 0.01309 0.00131 0.01137 -0.01585
|
|
166 20G+2 -0.02472 -0.02635 0.02140 -0.02614 0.06071
|
|
167 20G-2 0.01578 0.00317 0.02011 0.01987 -0.01035
|
|
168 20G+3 0.03394 0.08370 0.00171 0.05429 -0.05224
|
|
169 20G-3 -0.03022 -0.00738 -0.00536 -0.09784 -0.00761
|
|
170 20G+4 -0.03329 -0.05069 0.00022 -0.04378 0.04438
|
|
171 20G-4 0.03235 -0.01727 0.03170 0.04333 0.01432
|
|
172 21H 0 0.00205 -0.00028 0.00007 0.00327 0.00124
|
|
173 21H+1 -0.00110 -0.00532 0.00311 0.00556 0.00684
|
|
174 21H-1 0.00345 -0.00048 0.00181 0.00216 0.00239
|
|
175 21H+2 -0.00399 0.00127 -0.00073 -0.00139 -0.00041
|
|
176 21H-2 -0.00309 0.00012 0.00054 -0.00273 -0.00145
|
|
177 21H+3 0.00436 0.00872 -0.00395 0.00354 -0.00734
|
|
178 21H-3 -0.00136 0.00098 -0.00232 -0.00851 0.00089
|
|
179 21H+4 -0.00864 -0.01223 0.00069 -0.00490 0.00821
|
|
180 21H-4 0.00401 -0.00345 0.00372 0.01377 0.00335
|
|
181 21H+5 0.00380 0.00908 -0.00282 0.00855 -0.00308
|
|
182 21H-5 -0.00232 0.00287 -0.00048 -0.00725 -0.00164
|
|
183 3 H 1S -0.00482 0.03219 0.01674 -0.02007 0.02058
|
|
184 2S -0.23876 0.27991 0.40774 -0.43860 0.09448
|
|
185 3S 1.48632 -2.66013 1.56956 0.43799 -3.44989
|
|
186 4S 0.09079 3.22630 4.78768 -2.37034 -3.85191
|
|
187 5S 0.04871 -0.40913 -0.25656 0.44440 -0.14242
|
|
188 6PX 0.01290 -0.04892 -0.03769 0.04265 -0.02009
|
|
189 6PY 0.00046 -0.00143 0.00034 0.02081 0.00604
|
|
190 6PZ 0.00841 -0.03378 -0.03448 0.02529 -0.01654
|
|
191 7PX -0.04102 0.28318 0.16908 -0.18946 0.15039
|
|
192 7PY 0.03347 -0.00835 -0.00734 -0.14002 -0.03743
|
|
193 7PZ -0.04017 0.18708 0.15888 -0.10746 0.11347
|
|
194 8PX -0.28325 -0.45808 -0.76353 0.47020 0.35871
|
|
195 8PY -0.74744 0.75584 0.09083 1.32789 0.73876
|
|
196 8PZ -0.03165 -0.15013 -0.98521 0.02084 0.13851
|
|
197 9PX -0.26139 -1.20679 -1.49519 0.40171 1.56013
|
|
198 9PY -0.61570 0.31745 -0.10552 0.85321 1.37825
|
|
199 9PZ 0.10019 -0.56153 -1.28112 0.23373 0.52144
|
|
200 10D 0 0.01423 -0.00029 -0.00300 -0.00501 0.00803
|
|
201 10D+1 -0.00914 0.00706 0.02928 -0.02420 -0.01471
|
|
202 10D-1 -0.00215 0.01095 0.01209 0.01812 0.01031
|
|
203 10D+2 0.00502 -0.00118 0.01141 -0.02104 -0.01762
|
|
204 10D-2 -0.03105 0.01526 -0.00886 0.01463 -0.00793
|
|
205 11D 0 -0.09502 0.00580 0.02642 0.03920 -0.03750
|
|
206 11D+1 0.10007 -0.18433 -0.22675 0.24749 -0.01439
|
|
207 11D-1 0.06153 -0.11877 -0.06679 -0.11394 -0.08656
|
|
208 11D+2 0.01292 -0.07736 -0.12687 0.20021 0.02675
|
|
209 11D-2 0.22704 -0.16538 0.02311 -0.12026 -0.01312
|
|
210 12D 0 0.06946 -0.26845 0.23213 0.12276 0.37576
|
|
211 12D+1 -0.35433 1.01684 0.94503 -0.17302 0.11021
|
|
212 12D-1 0.41353 -0.14558 0.25229 -0.42144 0.06038
|
|
213 12D+2 0.15797 0.71776 0.41494 -0.20417 0.13027
|
|
214 12D-2 0.16891 -0.10630 -0.27147 -0.78749 -0.82064
|
|
215 13F 0 0.00931 -0.00853 0.00401 0.00899 -0.00416
|
|
216 13F+1 -0.00234 0.00544 -0.00095 -0.00567 0.00484
|
|
217 13F-1 -0.00744 -0.00611 0.00098 -0.00671 0.00293
|
|
218 13F+2 0.00061 0.01221 0.01003 -0.00513 0.01111
|
|
219 13F-2 -0.00831 0.01541 -0.00193 0.00589 0.00297
|
|
220 13F+3 -0.00709 0.00585 -0.00032 -0.00764 0.00718
|
|
221 13F-3 -0.00463 0.00318 0.00758 0.00399 0.00954
|
|
222 14F 0 -0.01174 0.07282 -0.08435 -0.00119 0.02311
|
|
223 14F+1 0.06282 -0.00755 -0.00460 -0.07356 -0.05083
|
|
224 14F-1 0.01321 0.06812 -0.02094 0.05872 -0.03336
|
|
225 14F+2 -0.00763 -0.10350 0.01595 -0.16027 -0.11548
|
|
226 14F-2 -0.09933 0.03765 0.03813 0.12509 0.05615
|
|
227 14F+3 0.03449 -0.07798 0.06063 -0.08527 -0.10121
|
|
228 14F-3 -0.10108 0.08772 -0.00579 0.12636 0.03047
|
|
229 15G 0 0.00152 -0.00359 -0.00038 -0.00504 -0.00136
|
|
230 15G+1 -0.00238 -0.00573 0.00314 -0.00072 -0.00013
|
|
231 15G-1 -0.00045 0.00058 0.00177 0.00398 0.00392
|
|
232 15G+2 -0.00461 0.00273 0.00039 0.00821 0.00333
|
|
233 15G-2 0.00463 -0.00366 0.00102 -0.00398 0.00103
|
|
234 15G+3 -0.00270 0.00650 -0.00302 0.01195 0.00687
|
|
235 15G-3 0.00807 -0.00665 -0.00214 -0.01143 -0.00497
|
|
236 15G+4 0.00019 0.00430 -0.00304 0.00717 0.00470
|
|
237 15G-4 0.00460 -0.00397 -0.00349 -0.00785 -0.00470
|
|
238 4 H 1S -0.00482 -0.03219 0.01674 0.02007 0.02058
|
|
239 2S -0.23876 -0.27991 0.40774 0.43860 0.09448
|
|
240 3S 1.48632 2.66013 1.56956 -0.43799 -3.44989
|
|
241 4S 0.09079 -3.22630 4.78768 2.37034 -3.85191
|
|
242 5S 0.04871 0.40913 -0.25656 -0.44440 -0.14242
|
|
243 6PX -0.01290 -0.04892 0.03769 0.04265 0.02009
|
|
244 6PY -0.00046 -0.00143 -0.00034 0.02081 -0.00604
|
|
245 6PZ 0.00841 0.03378 -0.03448 -0.02529 -0.01654
|
|
246 7PX 0.04102 0.28318 -0.16908 -0.18946 -0.15039
|
|
247 7PY -0.03347 -0.00835 0.00734 -0.14002 0.03743
|
|
248 7PZ -0.04017 -0.18708 0.15888 0.10746 0.11347
|
|
249 8PX 0.28325 -0.45808 0.76353 0.47020 -0.35871
|
|
250 8PY 0.74744 0.75584 -0.09083 1.32789 -0.73876
|
|
251 8PZ -0.03165 0.15013 -0.98521 -0.02084 0.13851
|
|
252 9PX 0.26139 -1.20679 1.49519 0.40171 -1.56013
|
|
253 9PY 0.61570 0.31745 0.10552 0.85321 -1.37825
|
|
254 9PZ 0.10019 0.56153 -1.28112 -0.23373 0.52144
|
|
255 10D 0 0.01423 0.00029 -0.00300 0.00501 0.00803
|
|
256 10D+1 0.00914 0.00706 -0.02928 -0.02420 0.01471
|
|
257 10D-1 0.00215 0.01095 -0.01209 0.01812 -0.01031
|
|
258 10D+2 0.00502 0.00118 0.01141 0.02104 -0.01762
|
|
259 10D-2 -0.03105 -0.01526 -0.00886 -0.01463 -0.00793
|
|
260 11D 0 -0.09502 -0.00580 0.02642 -0.03920 -0.03750
|
|
261 11D+1 -0.10007 -0.18433 0.22675 0.24749 0.01439
|
|
262 11D-1 -0.06153 -0.11877 0.06679 -0.11394 0.08656
|
|
263 11D+2 0.01292 0.07736 -0.12687 -0.20021 0.02675
|
|
264 11D-2 0.22704 0.16538 0.02311 0.12026 -0.01312
|
|
265 12D 0 0.06946 0.26845 0.23213 -0.12276 0.37576
|
|
266 12D+1 0.35433 1.01684 -0.94503 -0.17302 -0.11021
|
|
267 12D-1 -0.41353 -0.14558 -0.25229 -0.42144 -0.06038
|
|
268 12D+2 0.15797 -0.71776 0.41494 0.20417 0.13027
|
|
269 12D-2 0.16891 0.10630 -0.27147 0.78749 -0.82064
|
|
270 13F 0 0.00931 0.00853 0.00401 -0.00899 -0.00416
|
|
271 13F+1 0.00234 0.00544 0.00095 -0.00567 -0.00484
|
|
272 13F-1 0.00744 -0.00611 -0.00098 -0.00671 -0.00293
|
|
273 13F+2 0.00061 -0.01221 0.01003 0.00513 0.01111
|
|
274 13F-2 -0.00831 -0.01541 -0.00193 -0.00589 0.00297
|
|
275 13F+3 0.00709 0.00585 0.00032 -0.00764 -0.00718
|
|
276 13F-3 0.00463 0.00318 -0.00758 0.00399 -0.00954
|
|
277 14F 0 -0.01174 -0.07282 -0.08435 0.00119 0.02311
|
|
278 14F+1 -0.06282 -0.00755 0.00460 -0.07356 0.05083
|
|
279 14F-1 -0.01321 0.06812 0.02094 0.05872 0.03336
|
|
280 14F+2 -0.00763 0.10350 0.01595 0.16027 -0.11548
|
|
281 14F-2 -0.09933 -0.03765 0.03813 -0.12509 0.05615
|
|
282 14F+3 -0.03449 -0.07798 -0.06063 -0.08527 0.10121
|
|
283 14F-3 0.10108 0.08772 0.00579 0.12636 -0.03047
|
|
284 15G 0 0.00152 0.00359 -0.00038 0.00504 -0.00136
|
|
285 15G+1 0.00238 -0.00573 -0.00314 -0.00072 0.00013
|
|
286 15G-1 0.00045 0.00058 -0.00177 0.00398 -0.00392
|
|
287 15G+2 -0.00461 -0.00273 0.00039 -0.00821 0.00333
|
|
288 15G-2 0.00463 0.00366 0.00102 0.00398 0.00103
|
|
289 15G+3 0.00270 0.00650 0.00302 0.01195 -0.00687
|
|
290 15G-3 -0.00807 -0.00665 0.00214 -0.01143 0.00497
|
|
291 15G+4 0.00019 -0.00430 -0.00304 -0.00717 0.00470
|
|
292 15G-4 0.00460 0.00397 -0.00349 0.00785 -0.00470
|
|
66 67 68 69 70
|
|
V V V V V
|
|
Eigenvalues -- 2.76769 2.76962 2.84141 2.91411 3.04104
|
|
1 1 O 1S 0.01422 0.02181 0.01051 0.03059 -0.00196
|
|
2 2S -0.04237 -0.03565 -0.02175 -0.04687 -0.01076
|
|
3 3S -0.04004 0.01951 -0.02843 0.07412 -0.10022
|
|
4 4S 0.07757 -0.20832 0.37132 -0.72753 1.27312
|
|
5 5S -1.91194 0.09181 -1.74635 1.66555 -5.65090
|
|
6 6S -2.35371 0.50350 -2.50704 -1.47742 -6.82014
|
|
7 7PX -0.01982 -0.00202 0.01665 0.00206 -0.02929
|
|
8 7PY 0.02678 0.03114 0.01010 0.01996 -0.00246
|
|
9 7PZ -0.00921 -0.00386 -0.02658 -0.01846 -0.00156
|
|
10 8PX 0.01794 0.03786 0.03591 -0.08308 0.19637
|
|
11 8PY 0.10935 0.01724 0.01133 0.12170 -0.00272
|
|
12 8PZ -0.05749 -0.03801 0.11208 0.02409 0.11711
|
|
13 9PX -0.54212 0.01110 0.03820 0.39048 -1.19287
|
|
14 9PY -0.14907 0.22781 0.02200 -0.25164 -0.12688
|
|
15 9PZ -0.09349 0.18524 -0.58377 -0.17560 -0.65411
|
|
16 10PX -0.55183 -0.21291 -0.44314 0.18823 -5.57729
|
|
17 10PY -1.38229 1.19885 -0.65007 0.77861 -2.97604
|
|
18 10PZ -0.41734 0.33744 -2.58135 -1.18359 -2.11582
|
|
19 11PX -0.46516 -0.02578 -0.12128 -0.21008 -0.78383
|
|
20 11PY 0.09771 -0.04323 0.11033 0.42244 0.09376
|
|
21 11PZ -0.19914 -0.00646 -0.27215 -0.33441 -0.41053
|
|
22 12D 0 -0.01503 0.00556 0.00885 -0.00970 -0.00992
|
|
23 12D+1 0.01318 -0.00875 -0.00098 0.01215 0.00479
|
|
24 12D-1 -0.00750 -0.00600 -0.00171 -0.00085 0.00813
|
|
25 12D+2 -0.00860 0.00416 -0.00159 -0.02308 -0.00040
|
|
26 12D-2 0.00647 0.01132 0.00266 -0.00258 -0.00912
|
|
27 13D 0 0.00940 -0.03612 0.02862 0.06552 -0.01357
|
|
28 13D+1 -0.04373 0.01927 0.04834 -0.00141 0.02500
|
|
29 13D-1 0.02388 -0.00200 0.03974 0.00945 0.01114
|
|
30 13D+2 0.01538 0.00315 -0.03670 0.02810 0.02455
|
|
31 13D-2 0.01180 -0.02566 0.00850 -0.01483 0.05703
|
|
32 14D 0 -0.19792 0.18769 -0.12882 -0.49966 -0.01221
|
|
33 14D+1 0.20922 -0.01941 -0.29298 0.22146 -0.40577
|
|
34 14D-1 -0.20095 -0.06290 -0.16814 -0.01364 -0.00104
|
|
35 14D+2 -0.31917 0.06930 0.10423 -0.35560 -0.40450
|
|
36 14D-2 0.02541 0.26711 -0.04124 0.01869 -0.49584
|
|
37 15D 0 0.59058 0.57594 -1.45292 -0.61225 1.18809
|
|
38 15D+1 -0.05290 0.08133 -1.32931 -0.67168 -1.61401
|
|
39 15D-1 -0.26194 0.89605 -0.91253 0.16067 -1.59305
|
|
40 15D+2 0.04214 -0.26508 0.81283 1.14333 -1.84166
|
|
41 15D-2 -1.46225 0.41875 -0.36468 1.07165 -1.35431
|
|
42 16F 0 -0.01514 0.01971 0.00297 0.00865 -0.00276
|
|
43 16F+1 0.00098 -0.00033 -0.00019 -0.00102 0.00631
|
|
44 16F-1 0.00748 -0.00885 -0.00762 -0.00156 -0.01735
|
|
45 16F+2 -0.00257 -0.01056 -0.00192 -0.00410 -0.00414
|
|
46 16F-2 -0.00225 0.01004 0.00098 -0.00603 -0.00390
|
|
47 16F+3 -0.00711 0.01163 -0.00059 0.00334 -0.00339
|
|
48 16F-3 -0.00559 -0.00436 0.00041 0.00122 0.01377
|
|
49 17F 0 0.06461 -0.09159 -0.00996 -0.05287 0.03930
|
|
50 17F+1 0.00615 0.01444 -0.02148 -0.00965 -0.03233
|
|
51 17F-1 -0.02015 0.03919 0.02751 0.01563 0.07925
|
|
52 17F+2 0.00585 0.05318 0.00549 0.02960 -0.01089
|
|
53 17F-2 0.00941 -0.03819 -0.01719 0.02687 -0.00785
|
|
54 17F+3 0.03223 -0.03846 0.01052 -0.01173 -0.00957
|
|
55 17F-3 0.03000 0.02056 -0.00397 0.02182 -0.08641
|
|
56 18F 0 -0.27989 0.66392 -0.17373 -0.05832 0.49250
|
|
57 18F+1 0.44249 0.34075 -1.27561 -0.88177 0.50803
|
|
58 18F-1 0.25131 -0.14159 -0.66019 -0.25394 -0.62679
|
|
59 18F+2 0.11906 -0.26280 -0.28016 -0.11199 -0.73480
|
|
60 18F-2 -0.24490 0.41084 -0.53519 -0.09148 -0.78598
|
|
61 18F+3 -0.25866 0.03480 0.47006 0.63734 -0.48082
|
|
62 18F-3 -0.45071 -0.14570 -0.20550 0.30167 -0.33941
|
|
63 19G 0 0.00494 0.00036 -0.00480 -0.00118 0.00360
|
|
64 19G+1 -0.00307 -0.00357 0.00964 0.00387 -0.00549
|
|
65 19G-1 -0.00022 0.00190 -0.00119 0.00119 -0.00397
|
|
66 19G+2 -0.00018 -0.00055 0.00892 0.01469 -0.00290
|
|
67 19G-2 -0.00317 -0.00324 0.00637 0.00466 0.00262
|
|
68 19G+3 -0.00188 0.00526 -0.00379 -0.00308 -0.00227
|
|
69 19G-3 0.00467 0.00286 0.00214 -0.00035 -0.00182
|
|
70 19G+4 0.00184 0.00298 -0.00282 0.00449 -0.00110
|
|
71 19G-4 -0.00112 -0.00089 -0.00160 0.00341 0.00140
|
|
72 20G 0 -0.04795 -0.02019 0.08234 0.03802 -0.00274
|
|
73 20G+1 0.04322 0.04696 -0.13316 -0.09578 0.10478
|
|
74 20G-1 0.01267 -0.00894 -0.00311 -0.02154 0.04309
|
|
75 20G+2 0.04700 0.02595 -0.13594 -0.13366 0.02033
|
|
76 20G-2 0.02847 0.03468 -0.09724 -0.05137 -0.03658
|
|
77 20G+3 0.02789 -0.03768 0.03761 0.03912 -0.02815
|
|
78 20G-3 -0.03711 -0.00735 -0.05364 0.01629 -0.05659
|
|
79 20G+4 -0.00228 -0.03481 0.05380 0.01361 -0.01838
|
|
80 20G-4 -0.00911 -0.00187 0.00947 0.00841 -0.05779
|
|
81 21H 0 -0.00725 -0.00703 0.01824 0.01411 -0.00801
|
|
82 21H+1 -0.00465 0.00156 0.00347 0.00338 0.00777
|
|
83 21H-1 0.00178 0.00090 0.00581 0.00305 0.00572
|
|
84 21H+2 0.00714 0.00554 -0.01934 -0.01637 0.01462
|
|
85 21H-2 0.00427 0.00443 -0.01057 -0.00711 0.00130
|
|
86 21H+3 0.00851 0.00058 -0.00816 -0.00851 0.00320
|
|
87 21H-3 0.00546 0.00462 -0.01536 -0.00244 -0.00480
|
|
88 21H+4 0.00376 -0.00595 0.00951 0.00537 0.00046
|
|
89 21H-4 -0.00170 -0.00055 -0.00682 0.00363 -0.01075
|
|
90 21H+5 0.00421 -0.00263 0.00861 0.00171 -0.00050
|
|
91 21H-5 -0.00166 -0.00110 0.00516 0.01068 -0.00502
|
|
92 2 O 1S 0.01422 -0.02181 -0.01051 0.03059 0.00196
|
|
93 2S -0.04237 0.03565 0.02175 -0.04687 0.01076
|
|
94 3S -0.04004 -0.01951 0.02843 0.07412 0.10022
|
|
95 4S 0.07757 0.20832 -0.37132 -0.72753 -1.27312
|
|
96 5S -1.91194 -0.09181 1.74635 1.66555 5.65090
|
|
97 6S -2.35371 -0.50350 2.50704 -1.47742 6.82014
|
|
98 7PX 0.01982 -0.00202 0.01665 -0.00206 -0.02929
|
|
99 7PY -0.02678 0.03114 0.01010 -0.01996 -0.00246
|
|
100 7PZ -0.00921 0.00386 0.02658 -0.01846 0.00156
|
|
101 8PX -0.01794 0.03786 0.03591 0.08308 0.19637
|
|
102 8PY -0.10935 0.01724 0.01133 -0.12170 -0.00272
|
|
103 8PZ -0.05749 0.03801 -0.11208 0.02409 -0.11711
|
|
104 9PX 0.54212 0.01110 0.03820 -0.39048 -1.19287
|
|
105 9PY 0.14907 0.22781 0.02200 0.25164 -0.12688
|
|
106 9PZ -0.09349 -0.18524 0.58377 -0.17560 0.65411
|
|
107 10PX 0.55183 -0.21291 -0.44314 -0.18823 -5.57729
|
|
108 10PY 1.38229 1.19885 -0.65007 -0.77861 -2.97604
|
|
109 10PZ -0.41734 -0.33744 2.58135 -1.18359 2.11582
|
|
110 11PX 0.46516 -0.02578 -0.12128 0.21008 -0.78383
|
|
111 11PY -0.09771 -0.04323 0.11033 -0.42244 0.09376
|
|
112 11PZ -0.19914 0.00646 0.27215 -0.33441 0.41053
|
|
113 12D 0 -0.01503 -0.00556 -0.00885 -0.00970 0.00992
|
|
114 12D+1 -0.01318 -0.00875 -0.00098 -0.01215 0.00479
|
|
115 12D-1 0.00750 -0.00600 -0.00171 0.00085 0.00813
|
|
116 12D+2 -0.00860 -0.00416 0.00159 -0.02308 0.00040
|
|
117 12D-2 0.00647 -0.01132 -0.00266 -0.00258 0.00912
|
|
118 13D 0 0.00940 0.03612 -0.02862 0.06552 0.01357
|
|
119 13D+1 0.04373 0.01927 0.04834 0.00141 0.02500
|
|
120 13D-1 -0.02388 -0.00200 0.03974 -0.00945 0.01114
|
|
121 13D+2 0.01538 -0.00315 0.03670 0.02810 -0.02455
|
|
122 13D-2 0.01180 0.02566 -0.00850 -0.01483 -0.05703
|
|
123 14D 0 -0.19792 -0.18769 0.12882 -0.49966 0.01221
|
|
124 14D+1 -0.20922 -0.01941 -0.29298 -0.22146 -0.40577
|
|
125 14D-1 0.20095 -0.06290 -0.16814 0.01364 -0.00104
|
|
126 14D+2 -0.31917 -0.06930 -0.10423 -0.35560 0.40450
|
|
127 14D-2 0.02541 -0.26711 0.04124 0.01869 0.49584
|
|
128 15D 0 0.59058 -0.57594 1.45292 -0.61225 -1.18809
|
|
129 15D+1 0.05290 0.08133 -1.32931 0.67168 -1.61401
|
|
130 15D-1 0.26194 0.89605 -0.91253 -0.16067 -1.59305
|
|
131 15D+2 0.04214 0.26508 -0.81283 1.14333 1.84166
|
|
132 15D-2 -1.46225 -0.41875 0.36468 1.07165 1.35431
|
|
133 16F 0 -0.01514 -0.01971 -0.00297 0.00865 0.00276
|
|
134 16F+1 -0.00098 -0.00033 -0.00019 0.00102 0.00631
|
|
135 16F-1 -0.00748 -0.00885 -0.00762 0.00156 -0.01735
|
|
136 16F+2 -0.00257 0.01056 0.00192 -0.00410 0.00414
|
|
137 16F-2 -0.00225 -0.01004 -0.00098 -0.00603 0.00390
|
|
138 16F+3 0.00711 0.01163 -0.00059 -0.00334 -0.00339
|
|
139 16F-3 0.00559 -0.00436 0.00041 -0.00122 0.01377
|
|
140 17F 0 0.06461 0.09159 0.00996 -0.05287 -0.03930
|
|
141 17F+1 -0.00615 0.01444 -0.02148 0.00965 -0.03233
|
|
142 17F-1 0.02015 0.03919 0.02751 -0.01563 0.07925
|
|
143 17F+2 0.00585 -0.05318 -0.00549 0.02960 0.01089
|
|
144 17F-2 0.00941 0.03819 0.01719 0.02687 0.00785
|
|
145 17F+3 -0.03223 -0.03846 0.01052 0.01173 -0.00957
|
|
146 17F-3 -0.03000 0.02056 -0.00397 -0.02182 -0.08641
|
|
147 18F 0 -0.27989 -0.66392 0.17373 -0.05832 -0.49250
|
|
148 18F+1 -0.44249 0.34075 -1.27561 0.88177 0.50803
|
|
149 18F-1 -0.25131 -0.14159 -0.66019 0.25394 -0.62679
|
|
150 18F+2 0.11906 0.26280 0.28016 -0.11199 0.73480
|
|
151 18F-2 -0.24490 -0.41084 0.53519 -0.09148 0.78598
|
|
152 18F+3 0.25866 0.03480 0.47006 -0.63734 -0.48082
|
|
153 18F-3 0.45071 -0.14570 -0.20550 -0.30167 -0.33941
|
|
154 19G 0 0.00494 -0.00036 0.00480 -0.00118 -0.00360
|
|
155 19G+1 0.00307 -0.00357 0.00964 -0.00387 -0.00549
|
|
156 19G-1 0.00022 0.00190 -0.00119 -0.00119 -0.00397
|
|
157 19G+2 -0.00018 0.00055 -0.00892 0.01469 0.00290
|
|
158 19G-2 -0.00317 0.00324 -0.00637 0.00466 -0.00262
|
|
159 19G+3 0.00188 0.00526 -0.00379 0.00308 -0.00227
|
|
160 19G-3 -0.00467 0.00286 0.00214 0.00035 -0.00182
|
|
161 19G+4 0.00184 -0.00298 0.00282 0.00449 0.00110
|
|
162 19G-4 -0.00112 0.00089 0.00160 0.00341 -0.00140
|
|
163 20G 0 -0.04795 0.02019 -0.08234 0.03802 0.00274
|
|
164 20G+1 -0.04322 0.04696 -0.13316 0.09578 0.10478
|
|
165 20G-1 -0.01267 -0.00894 -0.00311 0.02154 0.04309
|
|
166 20G+2 0.04700 -0.02595 0.13594 -0.13366 -0.02033
|
|
167 20G-2 0.02847 -0.03468 0.09724 -0.05137 0.03658
|
|
168 20G+3 -0.02789 -0.03768 0.03761 -0.03912 -0.02815
|
|
169 20G-3 0.03711 -0.00735 -0.05364 -0.01629 -0.05659
|
|
170 20G+4 -0.00228 0.03481 -0.05380 0.01361 0.01838
|
|
171 20G-4 -0.00911 0.00187 -0.00947 0.00841 0.05779
|
|
172 21H 0 -0.00725 0.00703 -0.01824 0.01411 0.00801
|
|
173 21H+1 0.00465 0.00156 0.00347 -0.00338 0.00777
|
|
174 21H-1 -0.00178 0.00090 0.00581 -0.00305 0.00572
|
|
175 21H+2 0.00714 -0.00554 0.01934 -0.01637 -0.01462
|
|
176 21H-2 0.00427 -0.00443 0.01057 -0.00711 -0.00130
|
|
177 21H+3 -0.00851 0.00058 -0.00816 0.00851 0.00320
|
|
178 21H-3 -0.00546 0.00462 -0.01536 0.00244 -0.00480
|
|
179 21H+4 0.00376 0.00595 -0.00951 0.00537 -0.00046
|
|
180 21H-4 -0.00170 0.00055 0.00682 0.00363 0.01075
|
|
181 21H+5 -0.00421 -0.00263 0.00861 -0.00171 -0.00050
|
|
182 21H-5 0.00166 -0.00110 0.00516 -0.01068 -0.00502
|
|
183 3 H 1S 0.01672 -0.00782 -0.01321 0.00640 -0.02343
|
|
184 2S 0.13653 0.10271 -0.14605 0.21669 -0.50932
|
|
185 3S 0.69481 -0.23247 2.83472 -0.90006 9.14335
|
|
186 4S 3.62490 -0.61396 1.24988 1.58310 4.68784
|
|
187 5S -0.41680 0.13865 0.07688 -0.19911 0.02546
|
|
188 6PX -0.02990 0.00696 0.00295 -0.01401 0.02098
|
|
189 6PY 0.00654 -0.01408 0.00544 -0.01305 0.02031
|
|
190 6PZ -0.01823 -0.00095 0.01895 -0.00442 0.00215
|
|
191 7PX 0.16728 -0.08103 0.02506 0.08283 -0.08451
|
|
192 7PY -0.04236 0.06767 -0.05246 0.07063 -0.11604
|
|
193 7PZ 0.13689 0.00286 -0.15918 -0.04143 0.04405
|
|
194 8PX -0.75256 0.73054 -2.09326 -0.68198 -2.32523
|
|
195 8PY 0.81987 -0.72312 0.47993 -0.42571 0.57460
|
|
196 8PZ -1.16686 -0.41911 1.42985 1.35226 -2.83970
|
|
197 9PX -1.15649 0.47275 -1.38897 -0.69317 -2.10323
|
|
198 9PY 0.14981 -0.47246 0.01730 -0.68209 0.06586
|
|
199 9PZ -1.06351 -0.07789 0.51780 0.56961 -1.99728
|
|
200 10D 0 -0.01663 -0.02773 0.04207 0.04482 -0.01368
|
|
201 10D+1 -0.01914 0.00904 0.02122 0.02804 -0.03223
|
|
202 10D-1 -0.00144 0.00778 0.01825 0.01600 -0.00352
|
|
203 10D+2 0.01519 0.00641 -0.03738 -0.01041 0.00449
|
|
204 10D-2 0.01360 0.01130 0.01167 0.00081 0.00984
|
|
205 11D 0 0.14802 0.18819 -0.37247 -0.34008 0.11999
|
|
206 11D+1 0.11036 -0.03939 -0.09085 -0.24236 0.44750
|
|
207 11D-1 -0.01053 -0.01835 -0.13820 -0.10910 0.05355
|
|
208 11D+2 -0.09931 -0.08285 0.35894 0.09696 0.13599
|
|
209 11D-2 -0.11725 -0.05232 -0.05246 0.00091 -0.01441
|
|
210 12D 0 0.29969 0.02617 -1.15594 -0.80985 0.46225
|
|
211 12D+1 0.67697 0.20178 -0.29908 -0.18879 0.92085
|
|
212 12D-1 -0.35680 0.38482 -0.22896 0.18714 0.02538
|
|
213 12D+2 0.59768 -0.64336 0.75021 0.16609 0.51669
|
|
214 12D-2 -0.20376 0.56290 -0.06713 0.44709 -0.58733
|
|
215 13F 0 -0.00830 0.00240 0.00614 -0.00122 -0.00344
|
|
216 13F+1 -0.00573 -0.00303 0.01735 0.01158 -0.00970
|
|
217 13F-1 -0.00727 0.00305 0.01197 -0.00844 -0.00549
|
|
218 13F+2 -0.00179 0.00604 -0.01502 0.00990 -0.03593
|
|
219 13F-2 0.00431 -0.00926 -0.00395 0.00656 -0.00469
|
|
220 13F+3 -0.00405 0.01071 -0.01018 -0.01057 -0.00352
|
|
221 13F-3 -0.00295 0.00688 0.00100 -0.01124 -0.01163
|
|
222 14F 0 0.00709 -0.07312 0.13478 0.10536 0.12404
|
|
223 14F+1 -0.16129 -0.11120 0.35523 0.31748 -0.23851
|
|
224 14F-1 0.02173 -0.05122 0.04303 0.15175 -0.05036
|
|
225 14F+2 -0.08217 0.03044 0.01401 0.00924 -0.05595
|
|
226 14F-2 0.03273 0.00633 0.15779 -0.01018 0.01014
|
|
227 14F+3 -0.00566 0.07094 -0.23207 -0.01399 -0.10924
|
|
228 14F-3 0.09083 -0.03378 -0.02280 -0.00421 0.17732
|
|
229 15G 0 -0.00436 -0.00341 0.01081 0.00977 -0.01197
|
|
230 15G+1 0.00789 0.00661 -0.02398 -0.01635 0.00292
|
|
231 15G-1 0.00247 -0.00084 -0.00366 -0.00449 0.00347
|
|
232 15G+2 0.00943 0.00465 -0.01818 -0.01483 0.01488
|
|
233 15G-2 0.00117 0.00445 -0.01111 -0.00787 0.00694
|
|
234 15G+3 0.00497 -0.00659 0.00944 -0.00003 0.00975
|
|
235 15G-3 -0.00421 0.00324 -0.00641 0.00301 -0.00482
|
|
236 15G+4 0.00366 -0.00629 0.01475 0.00329 0.00915
|
|
237 15G-4 -0.00149 -0.00164 0.00333 0.00566 -0.00851
|
|
238 4 H 1S 0.01672 0.00782 0.01321 0.00640 0.02343
|
|
239 2S 0.13653 -0.10271 0.14605 0.21669 0.50932
|
|
240 3S 0.69481 0.23247 -2.83472 -0.90006 -9.14335
|
|
241 4S 3.62490 0.61396 -1.24988 1.58310 -4.68784
|
|
242 5S -0.41680 -0.13865 -0.07688 -0.19911 -0.02546
|
|
243 6PX 0.02990 0.00696 0.00295 0.01401 0.02098
|
|
244 6PY -0.00654 -0.01408 0.00544 0.01305 0.02031
|
|
245 6PZ -0.01823 0.00095 -0.01895 -0.00442 -0.00215
|
|
246 7PX -0.16728 -0.08103 0.02506 -0.08283 -0.08451
|
|
247 7PY 0.04236 0.06767 -0.05246 -0.07063 -0.11604
|
|
248 7PZ 0.13689 -0.00286 0.15918 -0.04143 -0.04405
|
|
249 8PX 0.75256 0.73054 -2.09326 0.68198 -2.32523
|
|
250 8PY -0.81987 -0.72312 0.47993 0.42571 0.57460
|
|
251 8PZ -1.16686 0.41911 -1.42985 1.35226 2.83970
|
|
252 9PX 1.15649 0.47275 -1.38897 0.69317 -2.10323
|
|
253 9PY -0.14981 -0.47246 0.01730 0.68209 0.06586
|
|
254 9PZ -1.06351 0.07789 -0.51780 0.56961 1.99728
|
|
255 10D 0 -0.01663 0.02773 -0.04207 0.04482 0.01368
|
|
256 10D+1 0.01914 0.00904 0.02122 -0.02804 -0.03223
|
|
257 10D-1 0.00144 0.00778 0.01825 -0.01600 -0.00352
|
|
258 10D+2 0.01519 -0.00641 0.03738 -0.01041 -0.00449
|
|
259 10D-2 0.01360 -0.01130 -0.01167 0.00081 -0.00984
|
|
260 11D 0 0.14802 -0.18819 0.37247 -0.34008 -0.11999
|
|
261 11D+1 -0.11036 -0.03939 -0.09085 0.24236 0.44750
|
|
262 11D-1 0.01053 -0.01835 -0.13820 0.10910 0.05355
|
|
263 11D+2 -0.09931 0.08285 -0.35894 0.09696 -0.13599
|
|
264 11D-2 -0.11725 0.05232 0.05246 0.00091 0.01441
|
|
265 12D 0 0.29969 -0.02617 1.15594 -0.80985 -0.46225
|
|
266 12D+1 -0.67697 0.20178 -0.29908 0.18879 0.92085
|
|
267 12D-1 0.35680 0.38482 -0.22896 -0.18714 0.02538
|
|
268 12D+2 0.59768 0.64336 -0.75021 0.16609 -0.51669
|
|
269 12D-2 -0.20376 -0.56290 0.06713 0.44709 0.58733
|
|
270 13F 0 -0.00830 -0.00240 -0.00614 -0.00122 0.00344
|
|
271 13F+1 0.00573 -0.00303 0.01735 -0.01158 -0.00970
|
|
272 13F-1 0.00727 0.00305 0.01197 0.00844 -0.00549
|
|
273 13F+2 -0.00179 -0.00604 0.01502 0.00990 0.03593
|
|
274 13F-2 0.00431 0.00926 0.00395 0.00656 0.00469
|
|
275 13F+3 0.00405 0.01071 -0.01018 0.01057 -0.00352
|
|
276 13F-3 0.00295 0.00688 0.00100 0.01124 -0.01163
|
|
277 14F 0 0.00709 0.07312 -0.13478 0.10536 -0.12404
|
|
278 14F+1 0.16129 -0.11120 0.35523 -0.31748 -0.23851
|
|
279 14F-1 -0.02173 -0.05122 0.04303 -0.15175 -0.05036
|
|
280 14F+2 -0.08217 -0.03044 -0.01401 0.00924 0.05595
|
|
281 14F-2 0.03273 -0.00633 -0.15779 -0.01018 -0.01014
|
|
282 14F+3 0.00566 0.07094 -0.23207 0.01399 -0.10924
|
|
283 14F-3 -0.09083 -0.03378 -0.02280 0.00421 0.17732
|
|
284 15G 0 -0.00436 0.00341 -0.01081 0.00977 0.01197
|
|
285 15G+1 -0.00789 0.00661 -0.02398 0.01635 0.00292
|
|
286 15G-1 -0.00247 -0.00084 -0.00366 0.00449 0.00347
|
|
287 15G+2 0.00943 -0.00465 0.01818 -0.01483 -0.01488
|
|
288 15G-2 0.00117 -0.00445 0.01111 -0.00787 -0.00694
|
|
289 15G+3 -0.00497 -0.00659 0.00944 0.00003 0.00975
|
|
290 15G-3 0.00421 0.00324 -0.00641 -0.00301 -0.00482
|
|
291 15G+4 0.00366 0.00629 -0.01475 0.00329 -0.00915
|
|
292 15G-4 -0.00149 0.00164 -0.00333 0.00566 0.00851
|
|
71 72 73 74 75
|
|
V V V V V
|
|
Eigenvalues -- 3.05259 3.12543 3.16260 3.18079 3.23338
|
|
1 1 O 1S 0.01825 0.00457 -0.03384 0.00089 -0.02470
|
|
2 2S -0.01899 0.01419 0.02468 -0.00218 0.01967
|
|
3 3S 0.07880 0.10697 -0.21666 -0.02198 -0.15248
|
|
4 4S -0.68899 -0.93521 2.14409 0.39878 1.40641
|
|
5 5S 2.79997 4.38341 -8.08349 -2.04703 -5.01098
|
|
6 6S 0.50266 6.36169 -5.34034 -1.13090 -3.18248
|
|
7 7PX -0.01086 0.01500 -0.00499 -0.00684 -0.01301
|
|
8 7PY 0.00158 0.02476 0.03912 0.00902 0.00226
|
|
9 7PZ 0.03034 0.00869 0.00035 -0.00906 -0.00118
|
|
10 8PX -0.01114 -0.06364 0.24175 0.09315 0.14775
|
|
11 8PY 0.05401 0.03998 -0.04309 0.04543 0.03822
|
|
12 8PZ -0.04828 -0.02255 0.15819 0.05308 0.13141
|
|
13 9PX 0.24995 1.00883 -1.28122 -0.32947 -1.06144
|
|
14 9PY -0.18382 0.75929 0.55559 0.10698 -0.08789
|
|
15 9PZ 0.57367 0.57772 -0.81016 -0.39771 -0.61237
|
|
16 10PX -0.96417 -1.11792 -5.82111 -2.70198 -1.99957
|
|
17 10PY 1.32025 -6.29365 -1.35282 -3.16002 -1.29510
|
|
18 10PZ 1.94674 -1.17364 -3.60475 -0.53120 -1.91248
|
|
19 11PX -0.05460 -0.09245 -0.85140 -0.40784 -0.12095
|
|
20 11PY 0.38789 -1.29122 -0.26264 -0.46185 -0.22400
|
|
21 11PZ 0.16539 0.09429 -0.51807 0.07981 -0.24381
|
|
22 12D 0 -0.01762 0.00800 -0.01093 -0.00139 0.00572
|
|
23 12D+1 0.00094 -0.01647 0.02097 -0.00616 0.00498
|
|
24 12D-1 0.00776 0.01041 -0.01269 0.02118 0.00009
|
|
25 12D+2 -0.00837 0.00169 0.00440 0.00273 -0.00120
|
|
26 12D-2 -0.01176 -0.00444 0.00379 -0.00599 0.01007
|
|
27 13D 0 -0.00219 0.02210 0.01012 -0.00542 -0.02168
|
|
28 13D+1 -0.02010 0.05700 -0.00425 0.03895 0.02210
|
|
29 13D-1 -0.02868 -0.03620 0.02459 -0.02528 0.01797
|
|
30 13D+2 0.05090 0.05118 0.01809 0.01739 0.01732
|
|
31 13D-2 0.01460 -0.02646 -0.01320 0.03618 0.02316
|
|
32 14D 0 -0.15553 0.02298 -0.05174 0.01790 0.17914
|
|
33 14D+1 0.26994 -0.05583 -0.30547 -0.29029 -0.37895
|
|
34 14D-1 0.26871 0.42922 -0.31582 0.41754 -0.15105
|
|
35 14D+2 -0.31092 0.20643 -0.36690 -0.05985 -0.29656
|
|
36 14D-2 -0.19149 0.24743 -0.05323 -0.23047 0.03789
|
|
37 15D 0 1.70926 -1.81363 -0.03668 -0.46280 0.07480
|
|
38 15D+1 0.92699 -1.03864 -2.97024 -0.94564 -0.84127
|
|
39 15D-1 0.51199 -0.20738 -0.06026 -1.89379 -0.59497
|
|
40 15D+2 -0.21548 -3.81352 -2.19073 -1.34226 -1.02319
|
|
41 15D-2 1.55816 0.48444 -0.19005 -0.69511 -2.23829
|
|
42 16F 0 0.00817 0.01152 0.00827 -0.00542 -0.00312
|
|
43 16F+1 0.00535 0.00250 -0.00298 -0.00304 0.00000
|
|
44 16F-1 -0.01133 -0.00138 0.00653 0.02433 0.00691
|
|
45 16F+2 -0.00328 -0.01067 0.00750 -0.01164 0.00345
|
|
46 16F-2 -0.01155 -0.01526 0.01236 0.00145 -0.01969
|
|
47 16F+3 0.00783 0.00328 0.00994 0.00371 -0.01000
|
|
48 16F-3 0.00874 0.00963 0.00772 -0.01175 0.01379
|
|
49 17F 0 -0.03873 -0.06691 -0.00450 0.04065 0.03558
|
|
50 17F+1 -0.00792 -0.00649 -0.00141 0.00908 -0.00668
|
|
51 17F-1 0.06318 0.00661 -0.04202 -0.11002 -0.03762
|
|
52 17F+2 0.02602 0.07696 -0.08975 0.05667 -0.04226
|
|
53 17F-2 0.06018 0.09837 -0.07751 -0.01339 0.07116
|
|
54 17F+3 -0.04549 -0.00336 -0.07938 -0.01695 0.04686
|
|
55 17F-3 -0.02245 -0.03001 -0.06266 0.04530 -0.08118
|
|
56 18F 0 0.50843 0.23426 0.75189 -0.13063 0.26166
|
|
57 18F+1 1.18569 -0.29564 -0.33169 -0.15313 -0.19432
|
|
58 18F-1 -0.07970 0.37307 0.27579 0.70118 0.06794
|
|
59 18F+2 -0.07567 -0.77901 -0.81139 -0.86945 -0.29793
|
|
60 18F-2 -0.01683 0.13720 0.52492 -0.34231 -1.26295
|
|
61 18F+3 -0.02786 -0.22641 -0.41865 -0.02384 -0.77914
|
|
62 18F-3 0.24414 1.47796 0.21233 -0.68393 -0.20143
|
|
63 19G 0 0.00286 -0.00743 -0.00390 -0.00020 -0.00012
|
|
64 19G+1 -0.01062 -0.00069 -0.00319 -0.00094 0.00201
|
|
65 19G-1 -0.00151 -0.00120 -0.00171 -0.01247 0.00026
|
|
66 19G+2 -0.00257 0.00103 -0.00362 -0.00041 -0.00152
|
|
67 19G-2 0.00176 0.00097 -0.00675 0.00260 -0.00083
|
|
68 19G+3 0.00138 0.00826 -0.00214 0.00060 0.00197
|
|
69 19G-3 -0.00092 -0.00706 -0.00724 -0.00413 0.00620
|
|
70 19G+4 0.01100 -0.00389 -0.00333 0.00146 -0.00207
|
|
71 19G-4 0.00710 -0.00369 -0.00600 0.00390 -0.00616
|
|
72 20G 0 -0.04982 0.05785 0.06130 0.01054 0.02282
|
|
73 20G+1 0.13139 -0.01937 0.06474 0.01992 0.01553
|
|
74 20G-1 0.01870 -0.00940 0.01756 0.08567 0.00782
|
|
75 20G+2 0.08121 -0.02061 -0.03238 -0.00927 -0.01222
|
|
76 20G-2 0.02504 0.01650 0.04740 -0.02765 -0.02528
|
|
77 20G+3 -0.02181 -0.08021 -0.08338 -0.01765 -0.03112
|
|
78 20G-3 0.02207 0.11775 0.04701 -0.01031 -0.11100
|
|
79 20G+4 -0.09189 0.00547 -0.04207 -0.00670 0.00638
|
|
80 20G-4 -0.05233 0.08016 0.03042 -0.05230 -0.00943
|
|
81 21H 0 -0.01420 0.00526 -0.00135 0.00379 -0.00036
|
|
82 21H+1 0.00089 0.00461 0.01105 0.00252 0.00374
|
|
83 21H-1 0.00060 -0.00552 -0.00348 -0.00027 0.00345
|
|
84 21H+2 0.01872 0.00028 0.00173 0.00649 0.00131
|
|
85 21H-2 0.00570 -0.00643 0.00023 0.00237 0.00468
|
|
86 21H+3 0.00457 -0.01085 -0.00939 -0.00118 0.00108
|
|
87 21H-3 0.00694 0.00173 0.00444 -0.00484 -0.01343
|
|
88 21H+4 -0.00512 -0.00998 -0.01423 0.00368 0.00104
|
|
89 21H-4 -0.00037 0.01312 0.00169 -0.01086 -0.01222
|
|
90 21H+5 -0.00903 -0.01051 -0.00345 0.00089 0.00608
|
|
91 21H-5 0.00126 0.00228 -0.00030 -0.00377 -0.01205
|
|
92 2 O 1S 0.01825 -0.00457 -0.03384 -0.00089 -0.02470
|
|
93 2S -0.01899 -0.01419 0.02468 0.00218 0.01967
|
|
94 3S 0.07880 -0.10697 -0.21666 0.02198 -0.15248
|
|
95 4S -0.68899 0.93521 2.14409 -0.39878 1.40641
|
|
96 5S 2.79997 -4.38341 -8.08349 2.04703 -5.01098
|
|
97 6S 0.50266 -6.36169 -5.34034 1.13090 -3.18248
|
|
98 7PX 0.01086 0.01500 0.00499 -0.00684 0.01301
|
|
99 7PY -0.00158 0.02476 -0.03912 0.00902 -0.00226
|
|
100 7PZ 0.03034 -0.00869 0.00035 0.00906 -0.00118
|
|
101 8PX 0.01114 -0.06364 -0.24175 0.09315 -0.14775
|
|
102 8PY -0.05401 0.03998 0.04309 0.04543 -0.03822
|
|
103 8PZ -0.04828 0.02255 0.15819 -0.05308 0.13141
|
|
104 9PX -0.24995 1.00883 1.28122 -0.32947 1.06144
|
|
105 9PY 0.18382 0.75929 -0.55559 0.10698 0.08789
|
|
106 9PZ 0.57367 -0.57772 -0.81016 0.39771 -0.61237
|
|
107 10PX 0.96417 -1.11792 5.82111 -2.70198 1.99957
|
|
108 10PY -1.32025 -6.29365 1.35282 -3.16002 1.29510
|
|
109 10PZ 1.94674 1.17364 -3.60475 0.53120 -1.91248
|
|
110 11PX 0.05460 -0.09245 0.85140 -0.40784 0.12095
|
|
111 11PY -0.38789 -1.29122 0.26264 -0.46185 0.22400
|
|
112 11PZ 0.16539 -0.09429 -0.51807 -0.07981 -0.24381
|
|
113 12D 0 -0.01762 -0.00800 -0.01093 0.00139 0.00572
|
|
114 12D+1 -0.00094 -0.01647 -0.02097 -0.00616 -0.00498
|
|
115 12D-1 -0.00776 0.01041 0.01269 0.02118 -0.00009
|
|
116 12D+2 -0.00837 -0.00169 0.00440 -0.00273 -0.00120
|
|
117 12D-2 -0.01176 0.00444 0.00379 0.00599 0.01007
|
|
118 13D 0 -0.00219 -0.02210 0.01012 0.00542 -0.02168
|
|
119 13D+1 0.02010 0.05700 0.00425 0.03895 -0.02210
|
|
120 13D-1 0.02868 -0.03620 -0.02459 -0.02528 -0.01797
|
|
121 13D+2 0.05090 -0.05118 0.01809 -0.01739 0.01732
|
|
122 13D-2 0.01460 0.02646 -0.01320 -0.03618 0.02316
|
|
123 14D 0 -0.15553 -0.02298 -0.05174 -0.01790 0.17914
|
|
124 14D+1 -0.26994 -0.05583 0.30547 -0.29029 0.37895
|
|
125 14D-1 -0.26871 0.42922 0.31582 0.41754 0.15105
|
|
126 14D+2 -0.31092 -0.20643 -0.36690 0.05985 -0.29656
|
|
127 14D-2 -0.19149 -0.24743 -0.05323 0.23047 0.03789
|
|
128 15D 0 1.70926 1.81363 -0.03668 0.46280 0.07480
|
|
129 15D+1 -0.92699 -1.03864 2.97024 -0.94564 0.84127
|
|
130 15D-1 -0.51199 -0.20738 0.06026 -1.89379 0.59497
|
|
131 15D+2 -0.21548 3.81352 -2.19073 1.34226 -1.02319
|
|
132 15D-2 1.55816 -0.48444 -0.19005 0.69511 -2.23829
|
|
133 16F 0 0.00817 -0.01152 0.00827 0.00542 -0.00312
|
|
134 16F+1 -0.00535 0.00250 0.00298 -0.00304 0.00000
|
|
135 16F-1 0.01133 -0.00138 -0.00653 0.02433 -0.00691
|
|
136 16F+2 -0.00328 0.01067 0.00750 0.01164 0.00345
|
|
137 16F-2 -0.01155 0.01526 0.01236 -0.00145 -0.01969
|
|
138 16F+3 -0.00783 0.00328 -0.00994 0.00371 0.01000
|
|
139 16F-3 -0.00874 0.00963 -0.00772 -0.01175 -0.01379
|
|
140 17F 0 -0.03873 0.06691 -0.00450 -0.04065 0.03558
|
|
141 17F+1 0.00792 -0.00649 0.00141 0.00908 0.00668
|
|
142 17F-1 -0.06318 0.00661 0.04202 -0.11002 0.03762
|
|
143 17F+2 0.02602 -0.07696 -0.08975 -0.05667 -0.04226
|
|
144 17F-2 0.06018 -0.09837 -0.07751 0.01339 0.07116
|
|
145 17F+3 0.04549 -0.00336 0.07938 -0.01695 -0.04686
|
|
146 17F-3 0.02245 -0.03001 0.06266 0.04530 0.08118
|
|
147 18F 0 0.50843 -0.23426 0.75189 0.13063 0.26166
|
|
148 18F+1 -1.18569 -0.29564 0.33169 -0.15313 0.19432
|
|
149 18F-1 0.07970 0.37307 -0.27579 0.70118 -0.06794
|
|
150 18F+2 -0.07567 0.77901 -0.81139 0.86945 -0.29793
|
|
151 18F-2 -0.01683 -0.13720 0.52492 0.34231 -1.26295
|
|
152 18F+3 0.02786 -0.22641 0.41865 -0.02384 0.77914
|
|
153 18F-3 -0.24414 1.47796 -0.21233 -0.68393 0.20143
|
|
154 19G 0 0.00286 0.00743 -0.00390 0.00020 -0.00012
|
|
155 19G+1 0.01062 -0.00069 0.00319 -0.00094 -0.00201
|
|
156 19G-1 0.00151 -0.00120 0.00171 -0.01247 -0.00026
|
|
157 19G+2 -0.00257 -0.00103 -0.00362 0.00041 -0.00152
|
|
158 19G-2 0.00176 -0.00097 -0.00675 -0.00260 -0.00083
|
|
159 19G+3 -0.00138 0.00826 0.00214 0.00060 -0.00197
|
|
160 19G-3 0.00092 -0.00706 0.00724 -0.00413 -0.00620
|
|
161 19G+4 0.01100 0.00389 -0.00333 -0.00146 -0.00207
|
|
162 19G-4 0.00710 0.00369 -0.00600 -0.00390 -0.00616
|
|
163 20G 0 -0.04982 -0.05785 0.06130 -0.01054 0.02282
|
|
164 20G+1 -0.13139 -0.01937 -0.06474 0.01992 -0.01553
|
|
165 20G-1 -0.01870 -0.00940 -0.01756 0.08567 -0.00782
|
|
166 20G+2 0.08121 0.02061 -0.03238 0.00927 -0.01222
|
|
167 20G-2 0.02504 -0.01650 0.04740 0.02765 -0.02528
|
|
168 20G+3 0.02181 -0.08021 0.08338 -0.01765 0.03112
|
|
169 20G-3 -0.02207 0.11775 -0.04701 -0.01031 0.11100
|
|
170 20G+4 -0.09189 -0.00547 -0.04207 0.00670 0.00638
|
|
171 20G-4 -0.05233 -0.08016 0.03042 0.05230 -0.00943
|
|
172 21H 0 -0.01420 -0.00526 -0.00135 -0.00379 -0.00036
|
|
173 21H+1 -0.00089 0.00461 -0.01105 0.00252 -0.00374
|
|
174 21H-1 -0.00060 -0.00552 0.00348 -0.00027 -0.00345
|
|
175 21H+2 0.01872 -0.00028 0.00173 -0.00649 0.00131
|
|
176 21H-2 0.00570 0.00643 0.00023 -0.00237 0.00468
|
|
177 21H+3 -0.00457 -0.01085 0.00939 -0.00118 -0.00108
|
|
178 21H-3 -0.00694 0.00173 -0.00444 -0.00484 0.01343
|
|
179 21H+4 -0.00512 0.00998 -0.01423 -0.00368 0.00104
|
|
180 21H-4 -0.00037 -0.01312 0.00169 0.01086 -0.01222
|
|
181 21H+5 0.00903 -0.01051 0.00345 0.00089 -0.00608
|
|
182 21H-5 -0.00126 0.00228 0.00030 -0.00377 0.01205
|
|
183 3 H 1S -0.00068 -0.00462 -0.02145 -0.02003 -0.03335
|
|
184 2S 0.14690 0.33347 -0.68679 -0.07551 -0.17055
|
|
185 3S -1.76977 1.51875 10.43415 4.20041 5.71407
|
|
186 4S -0.90917 -1.30211 3.75380 2.39265 2.44480
|
|
187 5S 0.02342 0.35329 0.05361 0.13726 0.05734
|
|
188 6PX 0.00973 0.00512 0.02081 0.01130 0.02808
|
|
189 6PY -0.01577 -0.00549 0.00923 0.00867 0.01159
|
|
190 6PZ -0.00738 0.00298 0.01840 0.01197 0.01310
|
|
191 7PX -0.11928 -0.09227 -0.04346 -0.07039 -0.13232
|
|
192 7PY 0.07950 0.07021 0.01196 -0.07372 -0.10822
|
|
193 7PZ 0.06033 -0.07077 -0.04306 -0.06840 -0.05736
|
|
194 8PX 1.85816 0.55689 -2.90139 -1.14563 -1.79864
|
|
195 8PY -0.60397 -1.27998 -1.58215 0.49063 0.58083
|
|
196 8PZ -1.05596 0.83260 -2.01692 -0.77859 -1.45303
|
|
197 9PX 1.24515 0.62564 -1.90814 -1.18344 -1.27510
|
|
198 9PY -0.56906 -0.04395 -0.37145 -0.23044 -0.23217
|
|
199 9PZ -0.45097 0.52406 -1.24699 -0.94342 -0.95434
|
|
200 10D 0 -0.03881 0.00776 0.00318 -0.00744 -0.01277
|
|
201 10D+1 -0.00426 0.02980 -0.03617 -0.00036 -0.02220
|
|
202 10D-1 -0.00278 -0.03002 -0.02711 0.00092 0.02609
|
|
203 10D+2 0.02699 0.01707 -0.00184 -0.01747 -0.04113
|
|
204 10D-2 0.00834 -0.03449 -0.04735 0.02442 0.02511
|
|
205 11D 0 0.32478 -0.08042 -0.02914 0.04831 0.05519
|
|
206 11D+1 0.05376 -0.24220 0.45036 0.12169 0.33118
|
|
207 11D-1 0.03014 0.20887 0.26060 0.00334 -0.12521
|
|
208 11D+2 -0.22261 -0.14938 0.15056 0.17088 0.37716
|
|
209 11D-2 -0.06268 0.28369 0.41370 -0.11827 -0.11689
|
|
210 12D 0 0.64822 -0.21043 -0.05441 0.01031 0.02883
|
|
211 12D+1 0.16442 -0.88074 0.50141 0.33197 0.41155
|
|
212 12D-1 0.73399 0.17515 0.12628 -0.25272 0.16093
|
|
213 12D+2 -1.07017 -0.57951 0.34018 0.02926 0.07530
|
|
214 12D-2 0.06165 0.00186 0.28966 0.09923 -0.06626
|
|
215 13F 0 -0.01093 -0.00137 0.01392 0.01379 0.00942
|
|
216 13F+1 -0.01186 0.00922 -0.00506 -0.01343 -0.00141
|
|
217 13F-1 -0.00154 -0.00910 -0.01066 0.01242 0.00765
|
|
218 13F+2 -0.00406 -0.00191 -0.01124 -0.00006 -0.00975
|
|
219 13F-2 -0.00258 0.00543 -0.00850 0.00121 -0.00847
|
|
220 13F+3 0.00205 0.02094 -0.00953 -0.00383 -0.00145
|
|
221 13F-3 0.00015 -0.01590 -0.01351 -0.00517 0.01845
|
|
222 14F 0 -0.05746 -0.01479 0.12944 -0.08547 0.01499
|
|
223 14F+1 -0.27437 0.15822 -0.10339 0.01661 -0.10395
|
|
224 14F-1 -0.11864 0.03158 0.03869 -0.05525 -0.09526
|
|
225 14F+2 0.11503 0.33738 -0.16087 -0.10835 -0.19443
|
|
226 14F-2 -0.08157 -0.21982 -0.23463 0.05055 0.08090
|
|
227 14F+3 0.21291 0.10276 0.07101 -0.04555 -0.20921
|
|
228 14F-3 0.08331 -0.03582 -0.15837 0.01997 -0.11646
|
|
229 15G 0 -0.00905 0.00424 -0.01074 0.00011 -0.00567
|
|
230 15G+1 0.01776 -0.00575 -0.00821 0.00153 -0.00071
|
|
231 15G-1 0.00257 -0.00442 -0.00357 0.00094 0.00441
|
|
232 15G+2 0.01001 -0.01494 0.00982 0.00507 0.00375
|
|
233 15G-2 0.01463 0.00396 0.00491 -0.00587 0.00368
|
|
234 15G+3 -0.01085 -0.02185 0.00310 0.00461 0.01075
|
|
235 15G-3 0.00380 0.00601 0.01398 -0.00167 0.00019
|
|
236 15G+4 -0.01012 -0.01282 -0.00743 -0.00051 0.00613
|
|
237 15G-4 -0.00619 0.00341 0.00602 0.00340 0.00347
|
|
238 4 H 1S -0.00068 0.00462 -0.02145 0.02003 -0.03335
|
|
239 2S 0.14690 -0.33347 -0.68679 0.07551 -0.17055
|
|
240 3S -1.76977 -1.51875 10.43415 -4.20041 5.71407
|
|
241 4S -0.90917 1.30211 3.75380 -2.39265 2.44480
|
|
242 5S 0.02342 -0.35329 0.05361 -0.13726 0.05734
|
|
243 6PX -0.00973 0.00512 -0.02081 0.01130 -0.02808
|
|
244 6PY 0.01577 -0.00549 -0.00923 0.00867 -0.01159
|
|
245 6PZ -0.00738 -0.00298 0.01840 -0.01197 0.01310
|
|
246 7PX 0.11928 -0.09227 0.04346 -0.07039 0.13232
|
|
247 7PY -0.07950 0.07021 -0.01196 -0.07372 0.10822
|
|
248 7PZ 0.06033 0.07077 -0.04306 0.06840 -0.05736
|
|
249 8PX -1.85816 0.55689 2.90139 -1.14563 1.79864
|
|
250 8PY 0.60397 -1.27998 1.58215 0.49063 -0.58083
|
|
251 8PZ -1.05596 -0.83260 -2.01692 0.77859 -1.45303
|
|
252 9PX -1.24515 0.62564 1.90814 -1.18344 1.27510
|
|
253 9PY 0.56906 -0.04395 0.37145 -0.23044 0.23217
|
|
254 9PZ -0.45097 -0.52406 -1.24699 0.94342 -0.95434
|
|
255 10D 0 -0.03881 -0.00776 0.00318 0.00744 -0.01277
|
|
256 10D+1 0.00426 0.02980 0.03617 -0.00036 0.02220
|
|
257 10D-1 0.00278 -0.03002 0.02711 0.00092 -0.02609
|
|
258 10D+2 0.02699 -0.01707 -0.00184 0.01747 -0.04113
|
|
259 10D-2 0.00834 0.03449 -0.04735 -0.02442 0.02511
|
|
260 11D 0 0.32478 0.08042 -0.02914 -0.04831 0.05519
|
|
261 11D+1 -0.05376 -0.24220 -0.45036 0.12169 -0.33118
|
|
262 11D-1 -0.03014 0.20887 -0.26060 0.00334 0.12521
|
|
263 11D+2 -0.22261 0.14938 0.15056 -0.17088 0.37716
|
|
264 11D-2 -0.06268 -0.28369 0.41370 0.11827 -0.11689
|
|
265 12D 0 0.64822 0.21043 -0.05441 -0.01031 0.02883
|
|
266 12D+1 -0.16442 -0.88074 -0.50141 0.33197 -0.41155
|
|
267 12D-1 -0.73399 0.17515 -0.12628 -0.25272 -0.16093
|
|
268 12D+2 -1.07017 0.57951 0.34018 -0.02926 0.07530
|
|
269 12D-2 0.06165 -0.00186 0.28966 -0.09923 -0.06626
|
|
270 13F 0 -0.01093 0.00137 0.01392 -0.01379 0.00942
|
|
271 13F+1 0.01186 0.00922 0.00506 -0.01343 0.00141
|
|
272 13F-1 0.00154 -0.00910 0.01066 0.01242 -0.00765
|
|
273 13F+2 -0.00406 0.00191 -0.01124 0.00006 -0.00975
|
|
274 13F-2 -0.00258 -0.00543 -0.00850 -0.00121 -0.00847
|
|
275 13F+3 -0.00205 0.02094 0.00953 -0.00383 0.00145
|
|
276 13F-3 -0.00015 -0.01590 0.01351 -0.00517 -0.01845
|
|
277 14F 0 -0.05746 0.01479 0.12944 0.08547 0.01499
|
|
278 14F+1 0.27437 0.15822 0.10339 0.01661 0.10395
|
|
279 14F-1 0.11864 0.03158 -0.03869 -0.05525 0.09526
|
|
280 14F+2 0.11503 -0.33738 -0.16087 0.10835 -0.19443
|
|
281 14F-2 -0.08157 0.21982 -0.23463 -0.05055 0.08090
|
|
282 14F+3 -0.21291 0.10276 -0.07101 -0.04555 0.20921
|
|
283 14F-3 -0.08331 -0.03582 0.15837 0.01997 0.11646
|
|
284 15G 0 -0.00905 -0.00424 -0.01074 -0.00011 -0.00567
|
|
285 15G+1 -0.01776 -0.00575 0.00821 0.00153 0.00071
|
|
286 15G-1 -0.00257 -0.00442 0.00357 0.00094 -0.00441
|
|
287 15G+2 0.01001 0.01494 0.00982 -0.00507 0.00375
|
|
288 15G-2 0.01463 -0.00396 0.00491 0.00587 0.00368
|
|
289 15G+3 0.01085 -0.02185 -0.00310 0.00461 -0.01075
|
|
290 15G-3 -0.00380 0.00601 -0.01398 -0.00167 -0.00019
|
|
291 15G+4 -0.01012 0.01282 -0.00743 0.00051 0.00613
|
|
292 15G-4 -0.00619 -0.00341 0.00602 -0.00340 0.00347
|
|
76 77 78 79 80
|
|
V V V V V
|
|
Eigenvalues -- 3.25125 3.32720 3.39416 3.51059 3.56481
|
|
1 1 O 1S -0.01407 -0.02208 0.01935 0.00810 -0.03173
|
|
2 2S 0.01928 0.02878 -0.00764 -0.00141 0.03282
|
|
3 3S -0.07352 -0.09193 0.12135 0.07972 -0.11829
|
|
4 4S 1.26771 1.38198 -0.15517 -0.86399 0.13468
|
|
5 5S -4.93613 -6.67675 -2.96930 4.13891 3.67988
|
|
6 6S -4.42422 -2.69946 -0.34614 -0.79481 0.11140
|
|
7 7PX -0.01894 -0.01232 -0.04865 -0.00071 0.01693
|
|
8 7PY 0.00109 -0.00864 0.00020 -0.03960 -0.09256
|
|
9 7PZ -0.00339 -0.03008 -0.00965 0.01173 0.02519
|
|
10 8PX 0.21634 0.18059 0.03937 0.03711 -0.06917
|
|
11 8PY 0.02471 0.03957 0.10913 -0.02359 -0.02195
|
|
12 8PZ 0.16469 0.12061 0.03572 0.03704 0.00735
|
|
13 9PX -1.13333 -1.27127 -0.97813 -0.03112 0.79557
|
|
14 9PY 0.01807 -0.33854 -0.25044 -0.51214 -1.16590
|
|
15 9PZ -0.57352 -1.11251 -0.38223 0.21289 0.46148
|
|
16 10PX -6.02828 -3.88509 -2.82747 2.69910 -0.42790
|
|
17 10PY -4.36418 -1.10904 -4.02498 1.77148 0.46997
|
|
18 10PZ -5.22923 -2.45413 -1.95262 0.74933 1.14690
|
|
19 11PX -0.79552 -0.59557 -0.12790 -0.06680 0.10553
|
|
20 11PY -0.34707 -0.48432 -0.71993 0.44847 0.45950
|
|
21 11PZ -0.82565 -0.01720 -0.35600 -0.18580 -0.01787
|
|
22 12D 0 -0.00047 -0.00789 0.01640 -0.00903 -0.00005
|
|
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|
|
255 10D 0 -0.01451 0.02055 0.00808 -0.00507 -0.01499
|
|
256 10D+1 -0.02089 0.02539 -0.00983 -0.01442 0.00283
|
|
257 10D-1 -0.01849 0.00423 0.00884 -0.00035 -0.03034
|
|
258 10D+2 0.00031 -0.01559 -0.00672 0.00574 -0.01366
|
|
259 10D-2 0.03258 -0.00455 -0.00592 0.00982 0.03497
|
|
260 11D 0 0.09844 -0.15059 -0.06190 0.03300 0.12918
|
|
261 11D+1 0.42573 -0.36156 0.19969 0.14416 -0.04026
|
|
262 11D-1 0.19066 -0.06875 -0.02204 -0.04123 0.23540
|
|
263 11D+2 -0.22473 0.25832 -0.03821 -0.09448 0.10245
|
|
264 11D-2 -0.29488 0.10598 0.01669 0.00082 -0.30393
|
|
265 12D 0 -0.05917 0.09914 -0.38913 -0.04166 0.27174
|
|
266 12D+1 0.44503 -0.66474 0.77793 0.28339 0.20668
|
|
267 12D-1 -0.21287 -0.17896 -0.09322 -0.28758 0.28605
|
|
268 12D+2 -0.17147 0.92125 -0.92489 -0.40352 -0.63210
|
|
269 12D-2 -0.10603 0.01063 0.04369 0.58554 -0.50462
|
|
270 13F 0 -0.01606 0.02465 -0.02162 -0.01965 -0.00628
|
|
271 13F+1 -0.01754 0.01772 -0.00397 -0.00122 0.00512
|
|
272 13F-1 -0.01798 -0.01203 -0.00490 -0.02029 0.00740
|
|
273 13F+2 0.02207 0.00103 0.01793 0.00241 0.01871
|
|
274 13F-2 0.01296 -0.01335 0.02426 -0.03282 0.01212
|
|
275 13F+3 -0.03091 0.02210 -0.00162 0.00293 0.00132
|
|
276 13F-3 -0.01376 0.02236 -0.00332 -0.01009 -0.00082
|
|
277 14F 0 -0.12210 0.04500 0.10594 0.03401 -0.05909
|
|
278 14F+1 0.03312 -0.07309 -0.15243 -0.03962 0.11462
|
|
279 14F-1 0.13225 0.07089 0.02028 0.19795 -0.09315
|
|
280 14F+2 0.12365 -0.33824 0.09064 0.15180 -0.15562
|
|
281 14F-2 0.10150 -0.01005 -0.16057 0.09166 0.19704
|
|
282 14F+3 0.13424 0.06921 -0.10617 -0.13004 0.02521
|
|
283 14F-3 -0.08115 -0.03970 0.04195 0.19537 -0.26992
|
|
284 15G 0 0.00571 -0.00595 0.00415 0.00585 0.00019
|
|
285 15G+1 -0.01001 0.00812 0.00531 -0.00285 -0.01202
|
|
286 15G-1 -0.00437 0.00144 0.00489 -0.00219 -0.00105
|
|
287 15G+2 -0.00726 0.00697 -0.00971 -0.00428 0.00851
|
|
288 15G-2 0.00053 0.00000 -0.00094 0.00581 -0.00612
|
|
289 15G+3 0.00684 -0.01639 0.01326 0.00968 -0.00279
|
|
290 15G-3 0.00999 -0.00428 -0.00081 -0.01065 0.01736
|
|
291 15G+4 0.00295 0.00918 -0.00632 -0.00516 0.00664
|
|
292 15G-4 -0.00409 0.00613 0.00098 0.00658 -0.01339
|
|
81 82 83 84 85
|
|
V V V V V
|
|
Eigenvalues -- 3.58460 3.62664 3.64139 3.69732 3.70143
|
|
1 1 O 1S 0.01640 -0.01548 0.00471 0.01632 -0.01220
|
|
2 2S -0.00743 0.01548 0.01299 0.00263 0.03183
|
|
3 3S 0.10479 -0.07038 0.07107 0.14038 0.00706
|
|
4 4S -0.27399 0.33988 0.65900 -0.02785 0.91684
|
|
5 5S -1.53260 0.00180 -6.37059 -3.63764 -5.97640
|
|
6 6S -0.72900 -1.57233 -2.53438 -0.85368 -3.36293
|
|
7 7PX -0.02830 0.01618 -0.04453 -0.02422 -0.01995
|
|
8 7PY 0.00782 0.00548 0.00070 0.00029 -0.05952
|
|
9 7PZ -0.01350 -0.00392 -0.00645 -0.02977 -0.04071
|
|
10 8PX -0.01506 0.12835 0.10153 0.09038 0.15232
|
|
11 8PY 0.01721 0.00138 0.03901 0.04377 -0.00600
|
|
12 8PZ 0.05371 0.08423 0.11985 0.03164 0.03540
|
|
13 9PX -0.52078 -0.20514 -1.53881 -1.15240 -1.39661
|
|
14 9PY 0.04881 -0.11985 -0.25418 -0.12542 -0.86898
|
|
15 9PZ -0.62765 -0.47424 -1.03020 -0.76822 -1.14827
|
|
16 10PX -1.65571 0.98636 -4.77603 -1.19625 -3.00339
|
|
17 10PY -1.48464 4.39144 -0.97988 -3.09100 -3.08715
|
|
18 10PZ 2.39618 1.62149 0.01541 -2.69109 -2.57652
|
|
19 11PX -0.17087 -0.24366 -0.16498 -0.22323 -0.58185
|
|
20 11PY -0.18224 0.07311 -0.19591 -0.30294 0.00399
|
|
21 11PZ -0.16007 -0.08755 -0.14917 -0.05108 -0.15345
|
|
22 12D 0 0.03091 -0.01250 0.03595 -0.02463 -0.01456
|
|
23 12D+1 0.00730 0.01207 0.01821 -0.01390 0.00699
|
|
24 12D-1 -0.00684 -0.00241 0.00439 -0.01498 -0.01591
|
|
25 12D+2 -0.00946 0.00388 -0.01741 0.02270 0.01165
|
|
26 12D-2 -0.01122 0.03092 -0.00106 -0.01419 -0.02937
|
|
27 13D 0 -0.08181 0.04354 -0.11502 0.06896 0.05324
|
|
28 13D+1 -0.01526 -0.01503 -0.02425 0.06055 0.01871
|
|
29 13D-1 -0.00015 -0.02144 -0.00450 0.03736 0.07666
|
|
30 13D+2 0.03748 0.00843 0.07162 -0.03952 -0.01486
|
|
31 13D-2 0.03238 -0.12185 0.01455 0.04831 0.10827
|
|
32 14D 0 0.77938 -0.34927 0.99832 -0.55848 -0.38101
|
|
33 14D+1 -0.00482 0.18054 -0.29903 -0.87958 -0.65554
|
|
34 14D-1 -0.08812 0.21120 -0.06414 -0.50252 -0.72864
|
|
35 14D+2 -0.41062 -0.02778 -0.96862 0.16030 -0.22198
|
|
36 14D-2 -0.32492 0.91435 -0.38966 -0.52202 -1.23582
|
|
37 15D 0 0.61174 0.08414 0.96391 -0.83454 0.01476
|
|
38 15D+1 0.48402 -0.13584 -0.32297 -0.67464 -0.87144
|
|
39 15D-1 -1.31704 -0.59996 -0.07208 -0.54852 -1.28747
|
|
40 15D+2 -0.62903 0.50171 -1.30992 -0.50143 0.34786
|
|
41 15D-2 -0.44606 1.15914 0.12562 -0.56958 -0.55466
|
|
42 16F 0 -0.01390 -0.02217 -0.00615 -0.00978 -0.00800
|
|
43 16F+1 0.01254 0.00129 0.01636 -0.00288 0.00722
|
|
44 16F-1 -0.00216 -0.00159 0.00630 -0.00137 -0.00630
|
|
45 16F+2 -0.00852 -0.01340 0.00928 0.00905 0.01331
|
|
46 16F-2 -0.00343 -0.00241 0.01020 -0.00243 0.00167
|
|
47 16F+3 0.00561 -0.00284 0.00967 0.01528 0.01145
|
|
48 16F-3 -0.00192 0.00317 0.00743 0.00338 0.00220
|
|
49 17F 0 0.08291 0.11662 0.07026 0.07208 0.06791
|
|
50 17F+1 -0.05878 -0.00625 -0.09404 -0.00652 -0.06904
|
|
51 17F-1 0.00154 0.01116 -0.03607 0.00042 0.02292
|
|
52 17F+2 0.02881 0.07197 -0.10430 -0.09059 -0.12027
|
|
53 17F-2 0.00557 0.01971 -0.07730 -0.01092 -0.04408
|
|
54 17F+3 -0.03924 0.01254 -0.08777 -0.09373 -0.09385
|
|
55 17F-3 0.01051 -0.00722 -0.06219 -0.03261 -0.04193
|
|
56 18F 0 -0.39851 -1.05206 0.32640 -0.16831 -0.06427
|
|
57 18F+1 0.83207 -0.24001 1.17685 -0.65511 -0.18997
|
|
58 18F-1 0.11268 0.00074 0.28253 -0.14196 -0.43906
|
|
59 18F+2 -0.48285 -1.09220 -0.15839 0.07778 0.16138
|
|
60 18F-2 -0.13188 0.69775 0.17291 -0.48074 -1.18810
|
|
61 18F+3 -0.14365 -0.30400 -0.08755 0.46317 1.11484
|
|
62 18F-3 -0.26463 0.83068 -0.12567 0.00234 -0.81136
|
|
63 19G 0 0.00035 0.00240 0.00375 0.00295 -0.00005
|
|
64 19G+1 0.00219 0.00200 -0.00008 0.00223 0.00347
|
|
65 19G-1 -0.00558 -0.00742 -0.00014 0.00399 0.00126
|
|
66 19G+2 -0.00451 0.00512 -0.00564 -0.00393 -0.00440
|
|
67 19G-2 -0.00243 -0.00326 -0.00003 -0.00260 0.00793
|
|
68 19G+3 0.00016 0.00491 -0.00799 -0.00390 -0.00801
|
|
69 19G-3 -0.00399 -0.01378 -0.00428 0.00072 -0.00101
|
|
70 19G+4 0.00290 0.00261 -0.00204 -0.00407 -0.00570
|
|
71 19G-4 -0.00046 -0.00334 0.00112 -0.00462 0.01255
|
|
72 20G 0 -0.01131 -0.00145 -0.01428 0.02166 0.05568
|
|
73 20G+1 0.01622 -0.02569 0.07927 -0.01351 -0.01069
|
|
74 20G-1 0.04230 0.03187 0.01579 -0.02390 0.01717
|
|
75 20G+2 0.03524 -0.06665 0.03137 -0.02102 -0.01418
|
|
76 20G-2 0.03046 0.03366 -0.00072 -0.00707 -0.11557
|
|
77 20G+3 -0.02793 -0.08243 -0.01595 -0.00696 0.04924
|
|
78 20G-3 0.01699 0.14671 -0.01861 -0.04639 -0.10539
|
|
79 20G+4 -0.03426 -0.06010 -0.02882 0.02000 0.07166
|
|
80 20G-4 -0.00834 0.04390 -0.05215 0.01717 -0.15058
|
|
81 21H 0 -0.00023 0.01002 -0.01092 0.00587 0.00238
|
|
82 21H+1 -0.00340 -0.00003 -0.00149 -0.00040 -0.00017
|
|
83 21H-1 -0.00177 -0.00209 -0.00052 0.00212 0.00565
|
|
84 21H+2 0.00842 0.00370 0.01311 -0.00866 -0.00426
|
|
85 21H-2 0.00630 -0.00173 0.00214 -0.00204 0.00085
|
|
86 21H+3 0.00122 -0.01281 0.00194 -0.00051 -0.00295
|
|
87 21H-3 0.00539 0.00688 0.00449 -0.00460 -0.01550
|
|
88 21H+4 0.00109 -0.00703 -0.00393 0.00338 0.01547
|
|
89 21H-4 -0.00174 0.01387 -0.00318 -0.00243 -0.01446
|
|
90 21H+5 -0.00224 -0.01083 -0.00518 0.00211 0.00273
|
|
91 21H-5 -0.00307 0.00650 -0.00262 -0.00195 -0.00276
|
|
92 2 O 1S -0.01640 0.01548 0.00471 -0.01632 -0.01220
|
|
93 2S 0.00743 -0.01548 0.01299 -0.00263 0.03183
|
|
94 3S -0.10479 0.07038 0.07107 -0.14038 0.00706
|
|
95 4S 0.27399 -0.33988 0.65900 0.02785 0.91684
|
|
96 5S 1.53260 -0.00180 -6.37059 3.63764 -5.97640
|
|
97 6S 0.72900 1.57233 -2.53438 0.85368 -3.36293
|
|
98 7PX -0.02830 0.01618 0.04453 -0.02422 0.01995
|
|
99 7PY 0.00782 0.00548 -0.00070 0.00029 0.05952
|
|
100 7PZ 0.01350 0.00392 -0.00645 0.02977 -0.04071
|
|
101 8PX -0.01506 0.12835 -0.10153 0.09038 -0.15232
|
|
102 8PY 0.01721 0.00138 -0.03901 0.04377 0.00600
|
|
103 8PZ -0.05371 -0.08423 0.11985 -0.03164 0.03540
|
|
104 9PX -0.52078 -0.20514 1.53881 -1.15240 1.39661
|
|
105 9PY 0.04881 -0.11985 0.25418 -0.12542 0.86898
|
|
106 9PZ 0.62765 0.47424 -1.03020 0.76822 -1.14827
|
|
107 10PX -1.65571 0.98636 4.77603 -1.19625 3.00339
|
|
108 10PY -1.48464 4.39144 0.97988 -3.09100 3.08715
|
|
109 10PZ -2.39618 -1.62149 0.01541 2.69109 -2.57652
|
|
110 11PX -0.17087 -0.24366 0.16498 -0.22323 0.58185
|
|
111 11PY -0.18224 0.07311 0.19591 -0.30294 -0.00399
|
|
112 11PZ 0.16007 0.08755 -0.14917 0.05108 -0.15345
|
|
113 12D 0 -0.03091 0.01250 0.03595 0.02463 -0.01456
|
|
114 12D+1 0.00730 0.01207 -0.01821 -0.01390 -0.00699
|
|
115 12D-1 -0.00684 -0.00241 -0.00439 -0.01498 0.01591
|
|
116 12D+2 0.00946 -0.00388 -0.01741 -0.02270 0.01165
|
|
117 12D-2 0.01122 -0.03092 -0.00106 0.01419 -0.02937
|
|
118 13D 0 0.08181 -0.04354 -0.11502 -0.06896 0.05324
|
|
119 13D+1 -0.01526 -0.01503 0.02425 0.06055 -0.01871
|
|
120 13D-1 -0.00015 -0.02144 0.00450 0.03736 -0.07666
|
|
121 13D+2 -0.03748 -0.00843 0.07162 0.03952 -0.01486
|
|
122 13D-2 -0.03238 0.12185 0.01455 -0.04831 0.10827
|
|
123 14D 0 -0.77938 0.34927 0.99832 0.55848 -0.38101
|
|
124 14D+1 -0.00482 0.18054 0.29903 -0.87958 0.65554
|
|
125 14D-1 -0.08812 0.21120 0.06414 -0.50252 0.72864
|
|
126 14D+2 0.41062 0.02778 -0.96862 -0.16030 -0.22198
|
|
127 14D-2 0.32492 -0.91435 -0.38966 0.52202 -1.23582
|
|
128 15D 0 -0.61174 -0.08414 0.96391 0.83454 0.01476
|
|
129 15D+1 0.48402 -0.13584 0.32297 -0.67464 0.87144
|
|
130 15D-1 -1.31704 -0.59996 0.07208 -0.54852 1.28747
|
|
131 15D+2 0.62903 -0.50171 -1.30992 0.50143 0.34786
|
|
132 15D-2 0.44606 -1.15914 0.12562 0.56958 -0.55466
|
|
133 16F 0 0.01390 0.02217 -0.00615 0.00978 -0.00800
|
|
134 16F+1 0.01254 0.00129 -0.01636 -0.00288 -0.00722
|
|
135 16F-1 -0.00216 -0.00159 -0.00630 -0.00137 0.00630
|
|
136 16F+2 0.00852 0.01340 0.00928 -0.00905 0.01331
|
|
137 16F-2 0.00343 0.00241 0.01020 0.00243 0.00167
|
|
138 16F+3 0.00561 -0.00284 -0.00967 0.01528 -0.01145
|
|
139 16F-3 -0.00192 0.00317 -0.00743 0.00338 -0.00220
|
|
140 17F 0 -0.08291 -0.11662 0.07026 -0.07208 0.06791
|
|
141 17F+1 -0.05878 -0.00625 0.09404 -0.00652 0.06904
|
|
142 17F-1 0.00154 0.01116 0.03607 0.00042 -0.02292
|
|
143 17F+2 -0.02881 -0.07197 -0.10430 0.09059 -0.12027
|
|
144 17F-2 -0.00557 -0.01971 -0.07730 0.01092 -0.04408
|
|
145 17F+3 -0.03924 0.01254 0.08777 -0.09373 0.09385
|
|
146 17F-3 0.01051 -0.00722 0.06219 -0.03261 0.04193
|
|
147 18F 0 0.39851 1.05206 0.32640 0.16831 -0.06427
|
|
148 18F+1 0.83207 -0.24001 -1.17685 -0.65511 0.18997
|
|
149 18F-1 0.11268 0.00074 -0.28253 -0.14196 0.43906
|
|
150 18F+2 0.48285 1.09220 -0.15839 -0.07778 0.16138
|
|
151 18F-2 0.13188 -0.69775 0.17291 0.48074 -1.18810
|
|
152 18F+3 -0.14365 -0.30400 0.08755 0.46317 -1.11484
|
|
153 18F-3 -0.26463 0.83068 0.12567 0.00234 0.81136
|
|
154 19G 0 -0.00035 -0.00240 0.00375 -0.00295 -0.00005
|
|
155 19G+1 0.00219 0.00200 0.00008 0.00223 -0.00347
|
|
156 19G-1 -0.00558 -0.00742 0.00014 0.00399 -0.00126
|
|
157 19G+2 0.00451 -0.00512 -0.00564 0.00393 -0.00440
|
|
158 19G-2 0.00243 0.00326 -0.00003 0.00260 0.00793
|
|
159 19G+3 0.00016 0.00491 0.00799 -0.00390 0.00801
|
|
160 19G-3 -0.00399 -0.01378 0.00428 0.00072 0.00101
|
|
161 19G+4 -0.00290 -0.00261 -0.00204 0.00407 -0.00570
|
|
162 19G-4 0.00046 0.00334 0.00112 0.00462 0.01255
|
|
163 20G 0 0.01131 0.00145 -0.01428 -0.02166 0.05568
|
|
164 20G+1 0.01622 -0.02569 -0.07927 -0.01351 0.01069
|
|
165 20G-1 0.04230 0.03187 -0.01579 -0.02390 -0.01717
|
|
166 20G+2 -0.03524 0.06665 0.03137 0.02102 -0.01418
|
|
167 20G-2 -0.03046 -0.03366 -0.00072 0.00707 -0.11557
|
|
168 20G+3 -0.02793 -0.08243 0.01595 -0.00696 -0.04924
|
|
169 20G-3 0.01699 0.14671 0.01861 -0.04639 0.10539
|
|
170 20G+4 0.03426 0.06010 -0.02882 -0.02000 0.07166
|
|
171 20G-4 0.00834 -0.04390 -0.05215 -0.01717 -0.15058
|
|
172 21H 0 0.00023 -0.01002 -0.01092 -0.00587 0.00238
|
|
173 21H+1 -0.00340 -0.00003 0.00149 -0.00040 0.00017
|
|
174 21H-1 -0.00177 -0.00209 0.00052 0.00212 -0.00565
|
|
175 21H+2 -0.00842 -0.00370 0.01311 0.00866 -0.00426
|
|
176 21H-2 -0.00630 0.00173 0.00214 0.00204 0.00085
|
|
177 21H+3 0.00122 -0.01281 -0.00194 -0.00051 0.00295
|
|
178 21H-3 0.00539 0.00688 -0.00449 -0.00460 0.01550
|
|
179 21H+4 -0.00109 0.00703 -0.00393 -0.00338 0.01547
|
|
180 21H-4 0.00174 -0.01387 -0.00318 0.00243 -0.01446
|
|
181 21H+5 -0.00224 -0.01083 0.00518 0.00211 -0.00273
|
|
182 21H-5 -0.00307 0.00650 0.00262 -0.00195 0.00276
|
|
183 3 H 1S 0.00137 -0.00465 0.00587 0.00537 -0.00270
|
|
184 2S -0.34252 -0.30252 -1.14795 -0.90275 -0.88445
|
|
185 3S 1.41228 -1.01627 6.99115 5.19847 6.94057
|
|
186 4S 1.89990 -0.17687 2.16612 1.95436 2.91546
|
|
187 5S -0.03977 0.26819 0.09694 0.10433 -0.01670
|
|
188 6PX 0.00805 0.01526 0.02096 -0.01305 0.00311
|
|
189 6PY 0.01651 -0.00859 0.00032 0.01461 0.02247
|
|
190 6PZ -0.02322 0.01337 -0.02048 0.01847 0.01122
|
|
191 7PX -0.02389 -0.09216 -0.02230 0.17028 0.10374
|
|
192 7PY -0.08879 0.09428 0.03276 -0.06975 -0.15971
|
|
193 7PZ 0.16416 -0.09067 0.22402 -0.06533 -0.01342
|
|
194 8PX 0.04018 0.61154 -1.55185 -3.11255 -3.81825
|
|
195 8PY 0.54921 -2.06981 -0.59350 0.50099 1.92105
|
|
196 8PZ -2.00762 0.96360 -3.85940 -0.24385 -1.37789
|
|
197 9PX -0.65731 0.04767 -1.13288 -1.72155 -2.02593
|
|
198 9PY -0.05168 -0.85388 -0.08732 0.17367 0.80357
|
|
199 9PZ -1.25839 0.20328 -1.83756 -0.49323 -1.03135
|
|
200 10D 0 0.00582 0.00333 0.00435 -0.00822 0.01069
|
|
201 10D+1 0.00432 0.00121 -0.02344 -0.01231 -0.02321
|
|
202 10D-1 0.01034 -0.00774 -0.01193 -0.00433 0.00273
|
|
203 10D+2 -0.00381 0.00358 -0.01111 -0.00495 -0.02556
|
|
204 10D-2 -0.01938 -0.01916 -0.01219 -0.01966 0.00674
|
|
205 11D 0 0.01218 -0.05878 0.03625 -0.00466 -0.10717
|
|
206 11D+1 0.04775 -0.05533 0.39817 0.21955 0.40022
|
|
207 11D-1 -0.02755 0.11319 0.12049 0.04218 -0.05662
|
|
208 11D+2 0.02800 -0.06512 0.18203 0.17470 0.40670
|
|
209 11D-2 0.12117 0.23966 0.12777 0.14374 -0.07032
|
|
210 12D 0 0.99361 -0.33881 1.27024 -0.82764 -0.34489
|
|
211 12D+1 0.98801 -0.40557 1.61172 0.46851 1.01730
|
|
212 12D-1 0.17445 0.79635 0.36449 -0.38212 -0.74639
|
|
213 12D+2 -0.07093 -0.20853 0.10490 1.27408 1.54211
|
|
214 12D-2 -0.28991 1.14929 -0.03823 -0.25367 -1.13708
|
|
215 13F 0 0.01894 -0.01348 0.00207 0.03778 -0.00403
|
|
216 13F+1 -0.03308 0.01422 -0.02499 -0.00442 0.00845
|
|
217 13F-1 0.00141 0.01654 -0.00996 0.02361 0.00451
|
|
218 13F+2 0.00846 -0.00315 -0.05644 -0.01282 -0.06152
|
|
219 13F-2 -0.01306 -0.03425 -0.01770 -0.01221 -0.00844
|
|
220 13F+3 -0.02140 0.00538 0.01181 -0.04270 -0.01628
|
|
221 13F-3 0.01251 -0.00476 -0.00822 0.00229 0.01861
|
|
222 14F 0 -0.16858 0.12415 0.13304 -0.04888 0.31153
|
|
223 14F+1 -0.03577 0.02909 -0.30905 0.10709 -0.08764
|
|
224 14F-1 -0.05894 -0.15028 -0.03726 -0.13151 0.03939
|
|
225 14F+2 -0.18050 0.18422 0.00162 -0.21438 -0.12813
|
|
226 14F-2 0.03285 -0.08805 -0.07167 0.05562 0.27325
|
|
227 14F+3 0.16267 0.10147 -0.16414 0.03535 -0.40086
|
|
228 14F-3 -0.12798 -0.30435 0.00471 -0.10408 0.00522
|
|
229 15G 0 -0.00678 -0.00123 -0.01887 -0.00267 -0.00521
|
|
230 15G+1 0.01074 -0.00346 0.00736 -0.01365 -0.01393
|
|
231 15G-1 0.00144 -0.00592 0.00132 -0.00201 -0.00032
|
|
232 15G+2 0.01366 -0.00927 0.02296 0.00109 0.00833
|
|
233 15G-2 0.00464 0.00789 0.01275 -0.00201 -0.00816
|
|
234 15G+3 0.00196 -0.01206 0.01255 0.01471 0.03274
|
|
235 15G-3 0.00358 0.01765 0.00688 0.00281 -0.01125
|
|
236 15G+4 -0.00262 -0.00956 0.00290 0.01045 0.02624
|
|
237 15G-4 0.00289 0.01861 0.00070 0.00576 -0.00261
|
|
238 4 H 1S -0.00137 0.00465 0.00587 -0.00537 -0.00270
|
|
239 2S 0.34252 0.30252 -1.14795 0.90275 -0.88445
|
|
240 3S -1.41228 1.01627 6.99115 -5.19847 6.94057
|
|
241 4S -1.89990 0.17687 2.16612 -1.95436 2.91546
|
|
242 5S 0.03977 -0.26819 0.09694 -0.10433 -0.01670
|
|
243 6PX 0.00805 0.01526 -0.02096 -0.01305 -0.00311
|
|
244 6PY 0.01651 -0.00859 -0.00032 0.01461 -0.02247
|
|
245 6PZ 0.02322 -0.01337 -0.02048 -0.01847 0.01122
|
|
246 7PX -0.02389 -0.09216 0.02230 0.17028 -0.10374
|
|
247 7PY -0.08879 0.09428 -0.03276 -0.06975 0.15971
|
|
248 7PZ -0.16416 0.09067 0.22402 0.06533 -0.01342
|
|
249 8PX 0.04018 0.61154 1.55185 -3.11255 3.81825
|
|
250 8PY 0.54921 -2.06981 0.59350 0.50099 -1.92105
|
|
251 8PZ 2.00762 -0.96360 -3.85940 0.24385 -1.37789
|
|
252 9PX -0.65731 0.04767 1.13288 -1.72155 2.02593
|
|
253 9PY -0.05168 -0.85388 0.08732 0.17367 -0.80357
|
|
254 9PZ 1.25839 -0.20328 -1.83756 0.49323 -1.03135
|
|
255 10D 0 -0.00582 -0.00333 0.00435 0.00822 0.01069
|
|
256 10D+1 0.00432 0.00121 0.02344 -0.01231 0.02321
|
|
257 10D-1 0.01034 -0.00774 0.01193 -0.00433 -0.00273
|
|
258 10D+2 0.00381 -0.00358 -0.01111 0.00495 -0.02556
|
|
259 10D-2 0.01938 0.01916 -0.01219 0.01966 0.00674
|
|
260 11D 0 -0.01218 0.05878 0.03625 0.00466 -0.10717
|
|
261 11D+1 0.04775 -0.05533 -0.39817 0.21955 -0.40022
|
|
262 11D-1 -0.02755 0.11319 -0.12049 0.04218 0.05662
|
|
263 11D+2 -0.02800 0.06512 0.18203 -0.17470 0.40670
|
|
264 11D-2 -0.12117 -0.23966 0.12777 -0.14374 -0.07032
|
|
265 12D 0 -0.99361 0.33881 1.27024 0.82764 -0.34489
|
|
266 12D+1 0.98801 -0.40557 -1.61172 0.46851 -1.01730
|
|
267 12D-1 0.17445 0.79635 -0.36449 -0.38212 0.74639
|
|
268 12D+2 0.07093 0.20853 0.10490 -1.27408 1.54211
|
|
269 12D-2 0.28991 -1.14929 -0.03823 0.25367 -1.13708
|
|
270 13F 0 -0.01894 0.01348 0.00207 -0.03778 -0.00403
|
|
271 13F+1 -0.03308 0.01422 0.02499 -0.00442 -0.00845
|
|
272 13F-1 0.00141 0.01654 0.00996 0.02361 -0.00451
|
|
273 13F+2 -0.00846 0.00315 -0.05644 0.01282 -0.06152
|
|
274 13F-2 0.01306 0.03425 -0.01770 0.01221 -0.00844
|
|
275 13F+3 -0.02140 0.00538 -0.01181 -0.04270 0.01628
|
|
276 13F-3 0.01251 -0.00476 0.00822 0.00229 -0.01861
|
|
277 14F 0 0.16858 -0.12415 0.13304 0.04888 0.31153
|
|
278 14F+1 -0.03577 0.02909 0.30905 0.10709 0.08764
|
|
279 14F-1 -0.05894 -0.15028 0.03726 -0.13151 -0.03939
|
|
280 14F+2 0.18050 -0.18422 0.00162 0.21438 -0.12813
|
|
281 14F-2 -0.03285 0.08805 -0.07167 -0.05562 0.27325
|
|
282 14F+3 0.16267 0.10147 0.16414 0.03535 0.40086
|
|
283 14F-3 -0.12798 -0.30435 -0.00471 -0.10408 -0.00522
|
|
284 15G 0 0.00678 0.00123 -0.01887 0.00267 -0.00521
|
|
285 15G+1 0.01074 -0.00346 -0.00736 -0.01365 0.01393
|
|
286 15G-1 0.00144 -0.00592 -0.00132 -0.00201 0.00032
|
|
287 15G+2 -0.01366 0.00927 0.02296 -0.00109 0.00833
|
|
288 15G-2 -0.00464 -0.00789 0.01275 0.00201 -0.00816
|
|
289 15G+3 0.00196 -0.01206 -0.01255 0.01471 -0.03274
|
|
290 15G-3 0.00358 0.01765 -0.00688 0.00281 0.01125
|
|
291 15G+4 0.00262 0.00956 0.00290 -0.01045 0.02624
|
|
292 15G-4 -0.00289 -0.01861 0.00070 -0.00576 -0.00261
|
|
86 87 88 89 90
|
|
V V V V V
|
|
Eigenvalues -- 3.75114 3.87310 4.00809 4.02855 4.07036
|
|
1 1 O 1S 0.01322 0.02824 0.01128 -0.01250 -0.00620
|
|
2 2S 0.02759 -0.05496 0.01993 0.01829 0.02422
|
|
3 3S 0.21743 0.07460 0.17148 -0.06852 0.02709
|
|
4 4S 0.11386 -3.21679 0.45574 2.18398 0.96545
|
|
5 5S -6.43118 19.08984 -8.29977 -13.52518 -7.06021
|
|
6 6S -6.12648 11.69233 -4.48502 -9.89920 -3.41652
|
|
7 7PX -0.06242 0.07175 -0.05435 -0.05415 -0.04933
|
|
8 7PY -0.04973 -0.01535 -0.02230 0.02870 -0.00639
|
|
9 7PZ -0.01753 0.07678 -0.01064 -0.05304 -0.01641
|
|
10 8PX 0.14755 -0.35688 0.11133 0.13943 0.00781
|
|
11 8PY 0.04866 -0.13448 0.00577 0.13483 0.00954
|
|
12 8PZ 0.15929 -0.16143 0.14697 0.04464 0.09557
|
|
13 9PX -2.44950 4.57412 -2.41299 -2.62581 -1.62819
|
|
14 9PY -1.13447 1.16895 -0.63719 -0.43141 -0.30342
|
|
15 9PZ -1.49224 3.16887 -1.50814 -1.82112 -1.16107
|
|
16 10PX -2.75280 8.07000 -4.31994 -9.86017 -3.89672
|
|
17 10PY 0.57602 -3.58651 -1.41837 -0.87274 -1.65930
|
|
18 10PZ -3.08156 6.00274 -2.19274 -6.37410 -2.31568
|
|
19 11PX -0.44849 0.89844 -0.32124 -1.09693 -0.16569
|
|
20 11PY 0.26579 -0.30793 0.11374 -0.03485 0.01926
|
|
21 11PZ -0.53475 0.33634 -0.36096 -0.79966 -0.19769
|
|
22 12D 0 -0.01534 -0.00219 0.00828 0.00060 0.00797
|
|
23 12D+1 -0.01116 0.01102 -0.00321 -0.02984 -0.01436
|
|
24 12D-1 -0.00418 -0.01485 -0.02033 0.00370 -0.01695
|
|
25 12D+2 -0.00305 -0.00006 -0.00765 -0.01379 -0.01072
|
|
26 12D-2 0.02198 -0.00381 -0.01075 0.00195 -0.00952
|
|
27 13D 0 0.04622 0.00873 -0.03958 -0.01262 -0.03214
|
|
28 13D+1 0.06866 -0.11008 0.03200 0.12166 0.06141
|
|
29 13D-1 0.03040 0.03128 0.06999 -0.01207 0.04156
|
|
30 13D+2 0.05518 -0.02319 0.04943 0.06076 0.04452
|
|
31 13D-2 -0.03957 -0.00443 0.04120 0.00815 0.03455
|
|
32 14D 0 -0.32731 -0.06047 0.36512 0.04503 0.28276
|
|
33 14D+1 -1.31277 2.59081 -1.15632 -2.22718 -1.15241
|
|
34 14D-1 -0.35678 0.09838 -0.77069 -0.19531 -0.56076
|
|
35 14D+2 -0.96547 1.65753 -1.07522 -1.47347 -0.85907
|
|
36 14D-2 0.08237 0.48914 -0.73866 -0.34526 -0.52331
|
|
37 15D 0 0.00867 -0.70653 0.28798 -0.09126 -0.11453
|
|
38 15D+1 -0.61709 2.38423 -0.58065 -3.16424 -0.90761
|
|
39 15D-1 0.32744 -0.04325 -0.14036 -0.16686 -0.30057
|
|
40 15D+2 0.21174 0.26343 -0.51988 -2.27719 -0.60874
|
|
41 15D-2 -0.38614 -0.39833 -0.35409 0.58294 -0.61278
|
|
42 16F 0 -0.00865 0.01542 -0.00594 -0.00667 -0.00964
|
|
43 16F+1 -0.00303 -0.01697 -0.00283 0.00521 0.00393
|
|
44 16F-1 -0.00953 0.00073 0.00281 0.00207 0.00604
|
|
45 16F+2 0.01798 -0.03053 0.02099 0.00928 0.00211
|
|
46 16F-2 0.01636 -0.01554 0.00515 0.00957 -0.00284
|
|
47 16F+3 0.00743 -0.02035 0.00583 0.01291 0.01068
|
|
48 16F-3 0.00835 -0.01112 0.00480 0.00320 0.00072
|
|
49 17F 0 0.09755 -0.17051 0.08687 0.09158 0.08825
|
|
50 17F+1 -0.01333 0.15016 -0.00315 -0.06864 -0.03424
|
|
51 17F-1 0.04605 0.00636 -0.01122 -0.01098 -0.02452
|
|
52 17F+2 -0.16489 0.31485 -0.17858 -0.15710 -0.06534
|
|
53 17F-2 -0.12623 0.13616 -0.06985 -0.07692 -0.01589
|
|
54 17F+3 -0.07888 0.18338 -0.07508 -0.11837 -0.08128
|
|
55 17F-3 -0.06458 0.10937 -0.06126 -0.03768 -0.03304
|
|
56 18F 0 -0.04297 -0.27563 0.31471 0.55334 0.10239
|
|
57 18F+1 -0.39275 0.42249 0.15544 -0.48953 0.05480
|
|
58 18F-1 -0.33025 0.45541 0.00506 0.06309 0.26209
|
|
59 18F+2 -0.05867 0.64849 0.18522 -1.28562 -0.56722
|
|
60 18F-2 0.23388 -0.32944 -0.43782 0.19167 -0.42885
|
|
61 18F+3 -0.10721 0.36839 -0.17640 -0.33881 0.02469
|
|
62 18F-3 -0.02634 0.09072 -0.28721 0.10782 -0.36772
|
|
63 19G 0 0.00941 -0.00930 0.00929 0.00311 0.00573
|
|
64 19G+1 0.00550 -0.01055 0.00269 0.00493 0.00205
|
|
65 19G-1 -0.00406 -0.00496 -0.00012 0.00292 0.00213
|
|
66 19G+2 -0.00499 0.00577 -0.00357 -0.00364 0.00008
|
|
67 19G-2 -0.00414 0.00387 0.00045 0.00050 -0.00903
|
|
68 19G+3 -0.01030 0.01044 -0.00867 -0.00100 -0.00806
|
|
69 19G-3 -0.00097 0.01161 -0.00897 -0.00785 -0.00197
|
|
70 19G+4 0.00390 0.00173 -0.00396 -0.00131 -0.00218
|
|
71 19G-4 -0.00509 0.01017 0.00031 -0.00214 -0.00305
|
|
72 20G 0 -0.00362 -0.05261 -0.02412 0.05699 -0.00617
|
|
73 20G+1 0.01108 0.00173 0.05980 0.02210 0.03230
|
|
74 20G-1 0.04206 0.02551 0.02765 -0.01375 -0.00395
|
|
75 20G+2 -0.01377 0.11325 0.00464 -0.06017 -0.03202
|
|
76 20G-2 -0.00471 0.02058 -0.03601 -0.02476 0.04711
|
|
77 20G+3 -0.01004 0.10838 -0.00708 -0.11364 0.00090
|
|
78 20G-3 -0.06361 0.00627 -0.01240 0.01132 -0.03019
|
|
79 20G+4 -0.04836 0.08123 -0.00356 -0.04198 -0.01084
|
|
80 20G-4 -0.02004 -0.01814 -0.05871 -0.01111 -0.00403
|
|
81 21H 0 0.00194 -0.00494 -0.00132 0.00001 -0.00438
|
|
82 21H+1 0.00046 -0.00813 0.00300 0.00750 0.00179
|
|
83 21H-1 0.00093 0.00044 0.00545 0.00229 0.00116
|
|
84 21H+2 0.00041 0.00386 0.00619 -0.00148 0.00343
|
|
85 21H-2 -0.00368 0.00364 0.00168 0.00016 0.00145
|
|
86 21H+3 -0.00149 0.01179 0.00716 -0.01223 -0.00172
|
|
87 21H-3 0.00157 0.00052 -0.00324 -0.00137 -0.00435
|
|
88 21H+4 -0.00386 0.00988 0.00142 -0.01135 -0.00226
|
|
89 21H-4 -0.00478 -0.00077 -0.00544 -0.00067 -0.00591
|
|
90 21H+5 0.00258 0.00555 -0.00622 -0.00691 -0.00009
|
|
91 21H-5 0.00098 0.00136 -0.00383 0.00407 0.00086
|
|
92 2 O 1S 0.01322 -0.02824 0.01128 -0.01250 0.00620
|
|
93 2S 0.02759 0.05496 0.01993 0.01829 -0.02422
|
|
94 3S 0.21743 -0.07460 0.17148 -0.06852 -0.02709
|
|
95 4S 0.11386 3.21679 0.45574 2.18398 -0.96545
|
|
96 5S -6.43118 -19.08984 -8.29977 -13.52518 7.06021
|
|
97 6S -6.12648 -11.69233 -4.48502 -9.89920 3.41652
|
|
98 7PX 0.06242 0.07175 0.05435 0.05415 -0.04933
|
|
99 7PY 0.04973 -0.01535 0.02230 -0.02870 -0.00639
|
|
100 7PZ -0.01753 -0.07678 -0.01064 -0.05304 0.01641
|
|
101 8PX -0.14755 -0.35688 -0.11133 -0.13943 0.00781
|
|
102 8PY -0.04866 -0.13448 -0.00577 -0.13483 0.00954
|
|
103 8PZ 0.15929 0.16143 0.14697 0.04464 -0.09557
|
|
104 9PX 2.44950 4.57412 2.41299 2.62581 -1.62819
|
|
105 9PY 1.13447 1.16895 0.63719 0.43141 -0.30342
|
|
106 9PZ -1.49224 -3.16887 -1.50814 -1.82112 1.16107
|
|
107 10PX 2.75280 8.07000 4.31994 9.86017 -3.89672
|
|
108 10PY -0.57602 -3.58651 1.41837 0.87274 -1.65930
|
|
109 10PZ -3.08156 -6.00274 -2.19274 -6.37410 2.31568
|
|
110 11PX 0.44849 0.89844 0.32124 1.09693 -0.16569
|
|
111 11PY -0.26579 -0.30793 -0.11374 0.03485 0.01926
|
|
112 11PZ -0.53475 -0.33634 -0.36096 -0.79966 0.19769
|
|
113 12D 0 -0.01534 0.00219 0.00828 0.00060 -0.00797
|
|
114 12D+1 0.01116 0.01102 0.00321 0.02984 -0.01436
|
|
115 12D-1 0.00418 -0.01485 0.02033 -0.00370 -0.01695
|
|
116 12D+2 -0.00305 0.00006 -0.00765 -0.01379 0.01072
|
|
117 12D-2 0.02198 0.00381 -0.01075 0.00195 0.00952
|
|
118 13D 0 0.04622 -0.00873 -0.03958 -0.01262 0.03214
|
|
119 13D+1 -0.06866 -0.11008 -0.03200 -0.12166 0.06141
|
|
120 13D-1 -0.03040 0.03128 -0.06999 0.01207 0.04156
|
|
121 13D+2 0.05518 0.02319 0.04943 0.06076 -0.04452
|
|
122 13D-2 -0.03957 0.00443 0.04120 0.00815 -0.03455
|
|
123 14D 0 -0.32731 0.06047 0.36512 0.04503 -0.28276
|
|
124 14D+1 1.31277 2.59081 1.15632 2.22718 -1.15241
|
|
125 14D-1 0.35678 0.09838 0.77069 0.19531 -0.56076
|
|
126 14D+2 -0.96547 -1.65753 -1.07522 -1.47347 0.85907
|
|
127 14D-2 0.08237 -0.48914 -0.73866 -0.34526 0.52331
|
|
128 15D 0 0.00867 0.70653 0.28798 -0.09126 0.11453
|
|
129 15D+1 0.61709 2.38423 0.58065 3.16424 -0.90761
|
|
130 15D-1 -0.32744 -0.04325 0.14036 0.16686 -0.30057
|
|
131 15D+2 0.21174 -0.26343 -0.51988 -2.27719 0.60874
|
|
132 15D-2 -0.38614 0.39833 -0.35409 0.58294 0.61278
|
|
133 16F 0 -0.00865 -0.01542 -0.00594 -0.00667 0.00964
|
|
134 16F+1 0.00303 -0.01697 0.00283 -0.00521 0.00393
|
|
135 16F-1 0.00953 0.00073 -0.00281 -0.00207 0.00604
|
|
136 16F+2 0.01798 0.03053 0.02099 0.00928 -0.00211
|
|
137 16F-2 0.01636 0.01554 0.00515 0.00957 0.00284
|
|
138 16F+3 -0.00743 -0.02035 -0.00583 -0.01291 0.01068
|
|
139 16F-3 -0.00835 -0.01112 -0.00480 -0.00320 0.00072
|
|
140 17F 0 0.09755 0.17051 0.08687 0.09158 -0.08825
|
|
141 17F+1 0.01333 0.15016 0.00315 0.06864 -0.03424
|
|
142 17F-1 -0.04605 0.00636 0.01122 0.01098 -0.02452
|
|
143 17F+2 -0.16489 -0.31485 -0.17858 -0.15710 0.06534
|
|
144 17F-2 -0.12623 -0.13616 -0.06985 -0.07692 0.01589
|
|
145 17F+3 0.07888 0.18338 0.07508 0.11837 -0.08128
|
|
146 17F-3 0.06458 0.10937 0.06126 0.03768 -0.03304
|
|
147 18F 0 -0.04297 0.27563 0.31471 0.55334 -0.10239
|
|
148 18F+1 0.39275 0.42249 -0.15544 0.48953 0.05480
|
|
149 18F-1 0.33025 0.45541 -0.00506 -0.06309 0.26209
|
|
150 18F+2 -0.05867 -0.64849 0.18522 -1.28562 0.56722
|
|
151 18F-2 0.23388 0.32944 -0.43782 0.19167 0.42885
|
|
152 18F+3 0.10721 0.36839 0.17640 0.33881 0.02469
|
|
153 18F-3 0.02634 0.09072 0.28721 -0.10782 -0.36772
|
|
154 19G 0 0.00941 0.00930 0.00929 0.00311 -0.00573
|
|
155 19G+1 -0.00550 -0.01055 -0.00269 -0.00493 0.00205
|
|
156 19G-1 0.00406 -0.00496 0.00012 -0.00292 0.00213
|
|
157 19G+2 -0.00499 -0.00577 -0.00357 -0.00364 -0.00008
|
|
158 19G-2 -0.00414 -0.00387 0.00045 0.00050 0.00903
|
|
159 19G+3 0.01030 0.01044 0.00867 0.00100 -0.00806
|
|
160 19G-3 0.00097 0.01161 0.00897 0.00785 -0.00197
|
|
161 19G+4 0.00390 -0.00173 -0.00396 -0.00131 0.00218
|
|
162 19G-4 -0.00509 -0.01017 0.00031 -0.00214 0.00305
|
|
163 20G 0 -0.00362 0.05261 -0.02412 0.05699 0.00617
|
|
164 20G+1 -0.01108 0.00173 -0.05980 -0.02210 0.03230
|
|
165 20G-1 -0.04206 0.02551 -0.02765 0.01375 -0.00395
|
|
166 20G+2 -0.01377 -0.11325 0.00464 -0.06017 0.03202
|
|
167 20G-2 -0.00471 -0.02058 -0.03601 -0.02476 -0.04711
|
|
168 20G+3 0.01004 0.10838 0.00708 0.11364 0.00090
|
|
169 20G-3 0.06361 0.00627 0.01240 -0.01132 -0.03019
|
|
170 20G+4 -0.04836 -0.08123 -0.00356 -0.04198 0.01084
|
|
171 20G-4 -0.02004 0.01814 -0.05871 -0.01111 0.00403
|
|
172 21H 0 0.00194 0.00494 -0.00132 0.00001 0.00438
|
|
173 21H+1 -0.00046 -0.00813 -0.00300 -0.00750 0.00179
|
|
174 21H-1 -0.00093 0.00044 -0.00545 -0.00229 0.00116
|
|
175 21H+2 0.00041 -0.00386 0.00619 -0.00148 -0.00343
|
|
176 21H-2 -0.00368 -0.00364 0.00168 0.00016 -0.00145
|
|
177 21H+3 0.00149 0.01179 -0.00716 0.01223 -0.00172
|
|
178 21H-3 -0.00157 0.00052 0.00324 0.00137 -0.00435
|
|
179 21H+4 -0.00386 -0.00988 0.00142 -0.01135 0.00226
|
|
180 21H-4 -0.00478 0.00077 -0.00544 -0.00067 0.00591
|
|
181 21H+5 -0.00258 0.00555 0.00622 0.00691 -0.00009
|
|
182 21H-5 -0.00098 0.00136 0.00383 -0.00407 0.00086
|
|
183 3 H 1S 0.00462 0.00277 0.00637 -0.01214 -0.00365
|
|
184 2S -1.54839 2.10614 -1.29261 -0.61469 -0.48625
|
|
185 3S 7.73378 -18.04395 9.13399 16.14421 7.78193
|
|
186 4S 5.98580 -7.94615 4.34266 8.54532 3.15141
|
|
187 5S -0.09641 -0.05277 -0.04188 -0.18648 -0.11773
|
|
188 6PX 0.00448 -0.01976 0.00376 -0.00137 -0.00158
|
|
189 6PY -0.01163 0.01095 0.00936 -0.01596 0.00847
|
|
190 6PZ 0.01792 -0.00957 -0.00194 0.00707 -0.00165
|
|
191 7PX 0.12850 -0.21040 0.14010 0.20690 0.12908
|
|
192 7PY 0.08682 -0.16228 -0.04286 0.17172 -0.02980
|
|
193 7PZ 0.00183 -0.14192 0.14815 0.08131 0.10202
|
|
194 8PX -3.93648 8.12710 -4.01150 -6.44368 -3.50000
|
|
195 8PY -1.26203 3.37107 -0.23892 -2.81903 -0.31049
|
|
196 8PZ -1.86514 4.93889 -3.40218 -4.03109 -2.49448
|
|
197 9PX -3.26370 4.53213 -2.50463 -4.03783 -1.83348
|
|
198 9PY -1.55802 1.93472 -0.54827 -1.54876 -0.17737
|
|
199 9PZ -1.74454 2.94645 -1.77593 -2.42952 -1.25860
|
|
200 10D 0 -0.00957 -0.01551 -0.01495 -0.00367 -0.00703
|
|
201 10D+1 -0.03889 0.07908 -0.03546 -0.04648 -0.02382
|
|
202 10D-1 0.00692 0.02239 -0.00525 -0.02131 -0.02697
|
|
203 10D+2 -0.01978 0.06641 -0.02987 -0.04790 -0.02894
|
|
204 10D-2 0.00549 0.03630 -0.01199 -0.02705 -0.00823
|
|
205 11D 0 0.04207 0.16398 0.09426 -0.02773 0.03462
|
|
206 11D+1 0.52637 -1.07469 0.52624 0.73394 0.39251
|
|
207 11D-1 0.02616 -0.29662 0.07804 0.25581 0.20243
|
|
208 11D+2 0.34860 -0.84290 0.38029 0.59950 0.33223
|
|
209 11D-2 0.06150 -0.47139 0.13763 0.35810 0.12625
|
|
210 12D 0 -0.66277 0.56597 0.17255 -0.33874 0.02320
|
|
211 12D+1 1.34072 -2.42576 1.75572 1.55036 1.19112
|
|
212 12D-1 0.57412 -1.21215 0.23988 0.78300 -0.02296
|
|
213 12D+2 1.03494 -1.55945 1.06064 1.06000 0.76091
|
|
214 12D-2 1.13125 -1.78991 0.12511 1.25068 0.14127
|
|
215 13F 0 0.03541 -0.04605 0.04579 -0.00943 -0.03403
|
|
216 13F+1 0.00311 0.02461 -0.04404 0.00548 0.01977
|
|
217 13F-1 -0.04177 0.02634 0.03601 0.02110 0.01564
|
|
218 13F+2 -0.05194 0.04403 0.01506 -0.03869 -0.06574
|
|
219 13F-2 -0.00405 0.00827 0.00241 -0.04126 -0.02572
|
|
220 13F+3 -0.00505 0.02531 -0.04901 -0.01183 0.01550
|
|
221 13F-3 -0.04227 0.04077 -0.02450 0.00042 0.01818
|
|
222 14F 0 0.05851 -0.39160 -0.04953 0.53662 0.49259
|
|
223 14F+1 -0.20353 0.05518 -0.07084 -0.22420 -0.37583
|
|
224 14F-1 0.25251 -0.09911 -0.37420 -0.23457 -0.14174
|
|
225 14F+2 -0.18215 0.68337 -0.74511 -0.33578 0.07838
|
|
226 14F-2 -0.21901 0.65610 -0.20692 -0.18832 0.04136
|
|
227 14F+3 -0.30376 0.36007 0.03376 -0.20821 -0.32156
|
|
228 14F-3 0.05012 0.35806 0.08081 -0.45927 -0.29299
|
|
229 15G 0 -0.00958 0.02041 -0.02009 -0.01303 -0.01013
|
|
230 15G+1 -0.01061 0.03020 -0.00275 -0.01692 -0.00417
|
|
231 15G-1 -0.00127 0.01103 0.00168 -0.00595 -0.00182
|
|
232 15G+2 0.01585 -0.01662 0.02334 0.01055 0.01395
|
|
233 15G-2 0.00663 -0.01624 0.01322 0.01054 0.00194
|
|
234 15G+3 0.02084 -0.02869 0.02316 0.01235 0.01162
|
|
235 15G-3 0.01631 -0.04215 0.00922 0.02706 0.00791
|
|
236 15G+4 0.01254 -0.01163 0.01264 0.00185 0.00265
|
|
237 15G-4 0.01118 -0.02963 0.00161 0.01669 0.00481
|
|
238 4 H 1S 0.00462 -0.00277 0.00637 -0.01214 0.00365
|
|
239 2S -1.54839 -2.10614 -1.29261 -0.61469 0.48625
|
|
240 3S 7.73378 18.04395 9.13399 16.14421 -7.78193
|
|
241 4S 5.98580 7.94615 4.34266 8.54532 -3.15141
|
|
242 5S -0.09641 0.05277 -0.04188 -0.18648 0.11773
|
|
243 6PX -0.00448 -0.01976 -0.00376 0.00137 -0.00158
|
|
244 6PY 0.01163 0.01095 -0.00936 0.01596 0.00847
|
|
245 6PZ 0.01792 0.00957 -0.00194 0.00707 0.00165
|
|
246 7PX -0.12850 -0.21040 -0.14010 -0.20690 0.12908
|
|
247 7PY -0.08682 -0.16228 0.04286 -0.17172 -0.02980
|
|
248 7PZ 0.00183 0.14192 0.14815 0.08131 -0.10202
|
|
249 8PX 3.93648 8.12710 4.01150 6.44368 -3.50000
|
|
250 8PY 1.26203 3.37107 0.23892 2.81903 -0.31049
|
|
251 8PZ -1.86514 -4.93889 -3.40218 -4.03109 2.49448
|
|
252 9PX 3.26370 4.53213 2.50463 4.03783 -1.83348
|
|
253 9PY 1.55802 1.93472 0.54827 1.54876 -0.17737
|
|
254 9PZ -1.74454 -2.94645 -1.77593 -2.42952 1.25860
|
|
255 10D 0 -0.00957 0.01551 -0.01495 -0.00367 0.00703
|
|
256 10D+1 0.03889 0.07908 0.03546 0.04648 -0.02382
|
|
257 10D-1 -0.00692 0.02239 0.00525 0.02131 -0.02697
|
|
258 10D+2 -0.01978 -0.06641 -0.02987 -0.04790 0.02894
|
|
259 10D-2 0.00549 -0.03630 -0.01199 -0.02705 0.00823
|
|
260 11D 0 0.04207 -0.16398 0.09426 -0.02773 -0.03462
|
|
261 11D+1 -0.52637 -1.07469 -0.52624 -0.73394 0.39251
|
|
262 11D-1 -0.02616 -0.29662 -0.07804 -0.25581 0.20243
|
|
263 11D+2 0.34860 0.84290 0.38029 0.59950 -0.33223
|
|
264 11D-2 0.06150 0.47139 0.13763 0.35810 -0.12625
|
|
265 12D 0 -0.66277 -0.56597 0.17255 -0.33874 -0.02320
|
|
266 12D+1 -1.34072 -2.42576 -1.75572 -1.55036 1.19112
|
|
267 12D-1 -0.57412 -1.21215 -0.23988 -0.78300 -0.02296
|
|
268 12D+2 1.03494 1.55945 1.06064 1.06000 -0.76091
|
|
269 12D-2 1.13125 1.78991 0.12511 1.25068 -0.14127
|
|
270 13F 0 0.03541 0.04605 0.04579 -0.00943 0.03403
|
|
271 13F+1 -0.00311 0.02461 0.04404 -0.00548 0.01977
|
|
272 13F-1 0.04177 0.02634 -0.03601 -0.02110 0.01564
|
|
273 13F+2 -0.05194 -0.04403 0.01506 -0.03869 0.06574
|
|
274 13F-2 -0.00405 -0.00827 0.00241 -0.04126 0.02572
|
|
275 13F+3 0.00505 0.02531 0.04901 0.01183 0.01550
|
|
276 13F-3 0.04227 0.04077 0.02450 -0.00042 0.01818
|
|
277 14F 0 0.05851 0.39160 -0.04953 0.53662 -0.49259
|
|
278 14F+1 0.20353 0.05518 0.07084 0.22420 -0.37583
|
|
279 14F-1 -0.25251 -0.09911 0.37420 0.23457 -0.14174
|
|
280 14F+2 -0.18215 -0.68337 -0.74511 -0.33578 -0.07838
|
|
281 14F-2 -0.21901 -0.65610 -0.20692 -0.18832 -0.04136
|
|
282 14F+3 0.30376 0.36007 -0.03376 0.20821 -0.32156
|
|
283 14F-3 -0.05012 0.35806 -0.08081 0.45927 -0.29299
|
|
284 15G 0 -0.00958 -0.02041 -0.02009 -0.01303 0.01013
|
|
285 15G+1 0.01061 0.03020 0.00275 0.01692 -0.00417
|
|
286 15G-1 0.00127 0.01103 -0.00168 0.00595 -0.00182
|
|
287 15G+2 0.01585 0.01662 0.02334 0.01055 -0.01395
|
|
288 15G-2 0.00663 0.01624 0.01322 0.01054 -0.00194
|
|
289 15G+3 -0.02084 -0.02869 -0.02316 -0.01235 0.01162
|
|
290 15G-3 -0.01631 -0.04215 -0.00922 -0.02706 0.00791
|
|
291 15G+4 0.01254 0.01163 0.01264 0.00185 -0.00265
|
|
292 15G-4 0.01118 0.02963 0.00161 0.01669 -0.00481
|
|
91 92 93 94 95
|
|
V V V V V
|
|
Eigenvalues -- 4.10267 4.15214 4.27943 4.43070 4.46776
|
|
1 1 O 1S -0.02502 0.00904 -0.02684 -0.04050 -0.00140
|
|
2 2S 0.01614 -0.02596 0.03371 0.01065 0.00948
|
|
3 3S -0.17237 -0.01523 -0.10596 -0.37949 0.02834
|
|
4 4S 1.04433 -0.43590 0.96312 2.16933 -0.17549
|
|
5 5S -1.20394 2.24920 -3.18860 -2.42544 0.57431
|
|
6 6S -1.88485 1.18598 -2.61369 -4.90805 2.43730
|
|
7 7PX -0.02487 0.00106 -0.02498 -0.05564 -0.03820
|
|
8 7PY -0.01500 0.01996 -0.02112 0.04188 -0.01124
|
|
9 7PZ -0.00421 0.00609 -0.02424 0.05975 0.07527
|
|
10 8PX -0.14196 -0.14425 0.03347 -0.20757 -0.22884
|
|
11 8PY -0.08117 -0.00501 0.00703 0.11165 -0.06371
|
|
12 8PZ -0.04099 0.01571 -0.09281 0.26371 0.27744
|
|
13 9PX 0.37877 0.78894 -0.90646 0.04765 0.24071
|
|
14 9PY 0.24043 0.35667 -0.35209 -0.20734 0.07415
|
|
15 9PZ 0.23388 0.14662 -0.28860 0.13692 0.28156
|
|
16 10PX -3.63365 0.64469 -0.78928 -0.16351 0.01789
|
|
17 10PY -2.79112 -1.71054 -0.68453 6.94229 -0.77332
|
|
18 10PZ -2.53741 1.75328 -1.28035 1.93238 2.08815
|
|
19 11PX -0.12752 0.15336 -0.26096 0.06323 0.38169
|
|
20 11PY 0.04191 -0.05770 -0.01186 0.79880 -0.15266
|
|
21 11PZ -0.13934 -0.00211 -0.13012 -0.12146 0.18811
|
|
22 12D 0 -0.00563 0.00128 0.00192 0.02126 0.02326
|
|
23 12D+1 -0.02472 -0.00821 -0.01101 0.00915 0.00477
|
|
24 12D-1 -0.00395 -0.02161 0.00328 0.00884 0.00297
|
|
25 12D+2 -0.02140 0.00058 -0.01192 0.00508 -0.00185
|
|
26 12D-2 0.00296 0.00379 -0.01653 0.00570 -0.00531
|
|
27 13D 0 0.00979 -0.01395 0.01340 -0.11801 -0.11838
|
|
28 13D+1 0.07093 -0.00251 0.03804 -0.02730 -0.05084
|
|
29 13D-1 0.01072 0.02849 -0.00563 -0.03724 -0.01516
|
|
30 13D+2 0.05763 -0.01713 0.05918 0.00795 0.00876
|
|
31 13D-2 -0.00652 -0.00678 0.00871 -0.02694 0.01936
|
|
32 14D 0 -0.09467 0.03990 0.00255 0.86923 1.15576
|
|
33 14D+1 -0.56877 0.21392 -0.57673 0.46608 0.54929
|
|
34 14D-1 -0.07871 -0.40320 0.01596 0.56647 0.10188
|
|
35 14D+2 -0.49709 0.30690 -0.56488 -0.27681 0.01639
|
|
36 14D-2 0.04537 0.15290 -0.43206 0.32890 -0.43252
|
|
37 15D 0 -0.26335 -0.47285 0.45379 1.53064 0.31759
|
|
38 15D+1 -1.67184 0.12203 -0.50440 0.37063 0.42533
|
|
39 15D-1 -0.33941 -1.79210 -0.42289 0.00986 -0.05038
|
|
40 15D+2 -1.88080 0.07642 -0.40534 2.03079 -0.11610
|
|
41 15D-2 -0.50812 -0.68112 -2.06987 0.03082 -0.01364
|
|
42 16F 0 0.00461 -0.00925 0.00533 -0.00779 -0.00802
|
|
43 16F+1 -0.00831 -0.00749 0.00010 -0.02281 -0.03191
|
|
44 16F-1 0.00160 -0.00152 -0.00556 -0.00710 -0.00270
|
|
45 16F+2 -0.01216 -0.02820 0.00340 0.01002 -0.01188
|
|
46 16F-2 -0.00550 -0.00439 -0.00454 -0.01287 -0.00007
|
|
47 16F+3 -0.00578 -0.00003 -0.02181 0.01906 0.00279
|
|
48 16F-3 0.00445 -0.00697 -0.01114 -0.00365 0.01645
|
|
49 17F 0 -0.02525 0.02671 -0.02431 0.05378 0.03812
|
|
50 17F+1 0.04082 0.05006 -0.00561 0.14535 0.20147
|
|
51 17F-1 -0.01597 0.00984 0.02704 0.05307 0.01047
|
|
52 17F+2 0.06649 0.17861 -0.03393 -0.04626 0.07775
|
|
53 17F-2 0.03172 0.02609 0.01279 0.08332 -0.01006
|
|
54 17F+3 0.01815 0.01131 0.10405 -0.11007 -0.02647
|
|
55 17F-3 -0.01419 0.03782 0.04417 0.05228 -0.10863
|
|
56 18F 0 0.60482 -0.72723 0.29777 -0.21258 0.26531
|
|
57 18F+1 -0.47291 -0.17623 -0.18676 0.25954 0.37752
|
|
58 18F-1 0.18356 -0.22752 -0.23590 -0.25932 0.35423
|
|
59 18F+2 -0.95360 -0.88379 -0.34061 -0.11233 0.01639
|
|
60 18F-2 -0.32606 -0.33387 -0.36496 0.17597 -0.00447
|
|
61 18F+3 -0.45318 0.06554 -1.33559 -0.27377 0.34493
|
|
62 18F-3 0.23120 -0.53051 -0.61126 -0.82830 0.02177
|
|
63 19G 0 -0.00397 -0.00049 0.00280 0.00704 -0.00016
|
|
64 19G+1 -0.00458 0.00045 0.00299 -0.00320 -0.00781
|
|
65 19G-1 -0.00273 -0.00088 -0.00086 -0.00887 -0.00025
|
|
66 19G+2 0.00075 0.00245 0.00116 0.00391 -0.00270
|
|
67 19G-2 0.00192 -0.00001 0.00004 -0.00236 -0.00432
|
|
68 19G+3 0.00063 0.00533 0.00134 0.00303 -0.00346
|
|
69 19G-3 0.00352 0.00203 -0.00022 -0.00180 -0.00032
|
|
70 19G+4 0.00156 0.00176 0.00384 0.01367 -0.00394
|
|
71 19G-4 0.00215 0.00313 0.00075 0.00530 0.00499
|
|
72 20G 0 0.03007 -0.02858 -0.00324 -0.10831 -0.06360
|
|
73 20G+1 0.04417 -0.01916 -0.02017 0.10038 0.15809
|
|
74 20G-1 0.02166 0.00094 0.00676 0.07097 0.03228
|
|
75 20G+2 -0.00249 0.02095 -0.01838 0.02166 0.11117
|
|
76 20G-2 -0.00394 0.00428 -0.00793 0.09032 0.08156
|
|
77 20G+3 -0.00196 0.00447 -0.02378 -0.08956 0.04897
|
|
78 20G-3 -0.01851 -0.00712 -0.00604 0.05853 -0.01300
|
|
79 20G+4 -0.00302 0.00146 -0.02428 -0.17660 0.02196
|
|
80 20G-4 -0.01006 -0.01468 -0.01786 -0.05438 -0.07275
|
|
81 21H 0 0.00132 0.00389 0.00136 -0.00730 -0.01403
|
|
82 21H+1 0.00963 -0.00073 0.00661 -0.00648 0.00634
|
|
83 21H-1 0.00161 -0.00183 0.00081 0.00083 0.00090
|
|
84 21H+2 0.00259 0.00692 0.00130 0.01231 0.01394
|
|
85 21H-2 0.00530 -0.00353 -0.00239 0.00677 0.01322
|
|
86 21H+3 -0.00539 0.00124 -0.00087 -0.00085 0.00343
|
|
87 21H-3 -0.00019 0.00072 -0.00152 0.01597 0.00943
|
|
88 21H+4 -0.00079 0.00491 -0.00548 -0.01246 0.00364
|
|
89 21H-4 -0.00211 -0.00280 -0.00201 -0.00441 0.00144
|
|
90 21H+5 -0.00075 0.00103 0.00503 -0.00758 0.00338
|
|
91 21H-5 0.00002 -0.00153 -0.00331 -0.00231 -0.00135
|
|
92 2 O 1S 0.02502 -0.00904 -0.02684 0.04050 -0.00140
|
|
93 2S -0.01614 0.02596 0.03371 -0.01065 0.00948
|
|
94 3S 0.17237 0.01523 -0.10596 0.37949 0.02834
|
|
95 4S -1.04433 0.43590 0.96312 -2.16933 -0.17549
|
|
96 5S 1.20394 -2.24920 -3.18860 2.42544 0.57431
|
|
97 6S 1.88485 -1.18598 -2.61369 4.90805 2.43730
|
|
98 7PX -0.02487 0.00106 0.02498 -0.05564 0.03820
|
|
99 7PY -0.01500 0.01996 0.02112 0.04188 0.01124
|
|
100 7PZ 0.00421 -0.00609 -0.02424 -0.05975 0.07527
|
|
101 8PX -0.14196 -0.14425 -0.03347 -0.20757 0.22884
|
|
102 8PY -0.08117 -0.00501 -0.00703 0.11165 0.06371
|
|
103 8PZ 0.04099 -0.01571 -0.09281 -0.26371 0.27744
|
|
104 9PX 0.37877 0.78894 0.90646 0.04765 -0.24071
|
|
105 9PY 0.24043 0.35667 0.35209 -0.20734 -0.07415
|
|
106 9PZ -0.23388 -0.14662 -0.28860 -0.13692 0.28156
|
|
107 10PX -3.63365 0.64469 0.78928 -0.16351 -0.01789
|
|
108 10PY -2.79112 -1.71054 0.68453 6.94229 0.77332
|
|
109 10PZ 2.53741 -1.75328 -1.28035 -1.93238 2.08815
|
|
110 11PX -0.12752 0.15336 0.26096 0.06323 -0.38169
|
|
111 11PY 0.04191 -0.05770 0.01186 0.79880 0.15266
|
|
112 11PZ 0.13934 0.00211 -0.13012 0.12146 0.18811
|
|
113 12D 0 0.00563 -0.00128 0.00192 -0.02126 0.02326
|
|
114 12D+1 -0.02472 -0.00821 0.01101 0.00915 -0.00477
|
|
115 12D-1 -0.00395 -0.02161 -0.00328 0.00884 -0.00297
|
|
116 12D+2 0.02140 -0.00058 -0.01192 -0.00508 -0.00185
|
|
117 12D-2 -0.00296 -0.00379 -0.01653 -0.00570 -0.00531
|
|
118 13D 0 -0.00979 0.01395 0.01340 0.11801 -0.11838
|
|
119 13D+1 0.07093 -0.00251 -0.03804 -0.02730 0.05084
|
|
120 13D-1 0.01072 0.02849 0.00563 -0.03724 0.01516
|
|
121 13D+2 -0.05763 0.01713 0.05918 -0.00795 0.00876
|
|
122 13D-2 0.00652 0.00678 0.00871 0.02694 0.01936
|
|
123 14D 0 0.09467 -0.03990 0.00255 -0.86923 1.15576
|
|
124 14D+1 -0.56877 0.21392 0.57673 0.46608 -0.54929
|
|
125 14D-1 -0.07871 -0.40320 -0.01596 0.56647 -0.10188
|
|
126 14D+2 0.49709 -0.30690 -0.56488 0.27681 0.01639
|
|
127 14D-2 -0.04537 -0.15290 -0.43206 -0.32890 -0.43252
|
|
128 15D 0 0.26335 0.47285 0.45379 -1.53064 0.31759
|
|
129 15D+1 -1.67184 0.12203 0.50440 0.37063 -0.42533
|
|
130 15D-1 -0.33941 -1.79210 0.42289 0.00986 0.05038
|
|
131 15D+2 1.88080 -0.07642 -0.40534 -2.03079 -0.11610
|
|
132 15D-2 0.50812 0.68112 -2.06987 -0.03082 -0.01364
|
|
133 16F 0 -0.00461 0.00925 0.00533 0.00779 -0.00802
|
|
134 16F+1 -0.00831 -0.00749 -0.00010 -0.02281 0.03191
|
|
135 16F-1 0.00160 -0.00152 0.00556 -0.00710 0.00270
|
|
136 16F+2 0.01216 0.02820 0.00340 -0.01002 -0.01188
|
|
137 16F-2 0.00550 0.00439 -0.00454 0.01287 -0.00007
|
|
138 16F+3 -0.00578 -0.00003 0.02181 0.01906 -0.00279
|
|
139 16F-3 0.00445 -0.00697 0.01114 -0.00365 -0.01645
|
|
140 17F 0 0.02525 -0.02671 -0.02431 -0.05378 0.03812
|
|
141 17F+1 0.04082 0.05006 0.00561 0.14535 -0.20147
|
|
142 17F-1 -0.01597 0.00984 -0.02704 0.05307 -0.01047
|
|
143 17F+2 -0.06649 -0.17861 -0.03393 0.04626 0.07775
|
|
144 17F-2 -0.03172 -0.02609 0.01279 -0.08332 -0.01006
|
|
145 17F+3 0.01815 0.01131 -0.10405 -0.11007 0.02647
|
|
146 17F-3 -0.01419 0.03782 -0.04417 0.05228 0.10863
|
|
147 18F 0 -0.60482 0.72723 0.29777 0.21258 0.26531
|
|
148 18F+1 -0.47291 -0.17623 0.18676 0.25954 -0.37752
|
|
149 18F-1 0.18356 -0.22752 0.23590 -0.25932 -0.35423
|
|
150 18F+2 0.95360 0.88379 -0.34061 0.11233 0.01639
|
|
151 18F-2 0.32606 0.33387 -0.36496 -0.17597 -0.00447
|
|
152 18F+3 -0.45318 0.06554 1.33559 -0.27377 -0.34493
|
|
153 18F-3 0.23120 -0.53051 0.61126 -0.82830 -0.02177
|
|
154 19G 0 0.00397 0.00049 0.00280 -0.00704 -0.00016
|
|
155 19G+1 -0.00458 0.00045 -0.00299 -0.00320 0.00781
|
|
156 19G-1 -0.00273 -0.00088 0.00086 -0.00887 0.00025
|
|
157 19G+2 -0.00075 -0.00245 0.00116 -0.00391 -0.00270
|
|
158 19G-2 -0.00192 0.00001 0.00004 0.00236 -0.00432
|
|
159 19G+3 0.00063 0.00533 -0.00134 0.00303 0.00346
|
|
160 19G-3 0.00352 0.00203 0.00022 -0.00180 0.00032
|
|
161 19G+4 -0.00156 -0.00176 0.00384 -0.01367 -0.00394
|
|
162 19G-4 -0.00215 -0.00313 0.00075 -0.00530 0.00499
|
|
163 20G 0 -0.03007 0.02858 -0.00324 0.10831 -0.06360
|
|
164 20G+1 0.04417 -0.01916 0.02017 0.10038 -0.15809
|
|
165 20G-1 0.02166 0.00094 -0.00676 0.07097 -0.03228
|
|
166 20G+2 0.00249 -0.02095 -0.01838 -0.02166 0.11117
|
|
167 20G-2 0.00394 -0.00428 -0.00793 -0.09032 0.08156
|
|
168 20G+3 -0.00196 0.00447 0.02378 -0.08956 -0.04897
|
|
169 20G-3 -0.01851 -0.00712 0.00604 0.05853 0.01300
|
|
170 20G+4 0.00302 -0.00146 -0.02428 0.17660 0.02196
|
|
171 20G-4 0.01006 0.01468 -0.01786 0.05438 -0.07275
|
|
172 21H 0 -0.00132 -0.00389 0.00136 0.00730 -0.01403
|
|
173 21H+1 0.00963 -0.00073 -0.00661 -0.00648 -0.00634
|
|
174 21H-1 0.00161 -0.00183 -0.00081 0.00083 -0.00090
|
|
175 21H+2 -0.00259 -0.00692 0.00130 -0.01231 0.01394
|
|
176 21H-2 -0.00530 0.00353 -0.00239 -0.00677 0.01322
|
|
177 21H+3 -0.00539 0.00124 0.00087 -0.00085 -0.00343
|
|
178 21H-3 -0.00019 0.00072 0.00152 0.01597 -0.00943
|
|
179 21H+4 0.00079 -0.00491 -0.00548 0.01246 0.00364
|
|
180 21H-4 0.00211 0.00280 -0.00201 0.00441 0.00144
|
|
181 21H+5 -0.00075 0.00103 -0.00503 -0.00758 -0.00338
|
|
182 21H-5 0.00002 -0.00153 0.00331 -0.00231 0.00135
|
|
183 3 H 1S -0.02289 -0.01213 -0.02180 -0.01342 0.00441
|
|
184 2S 1.12072 0.78074 0.56441 0.44220 0.11413
|
|
185 3S 4.44040 -2.20729 3.31149 -1.72914 -1.36494
|
|
186 4S 1.50926 -0.26729 2.39812 -0.31155 -2.19157
|
|
187 5S -0.26657 -0.16362 -0.11988 -0.11374 0.09140
|
|
188 6PX -0.00654 -0.01435 -0.00099 0.00025 -0.01455
|
|
189 6PY -0.01458 0.02101 0.01934 0.00799 -0.00151
|
|
190 6PZ -0.00104 -0.00355 -0.00378 0.01899 0.00800
|
|
191 7PX 0.01669 0.02522 0.03101 -0.07986 0.04425
|
|
192 7PY 0.09397 -0.15253 -0.12337 -0.02768 -0.00492
|
|
193 7PZ -0.00468 -0.01633 0.03738 -0.08326 0.01171
|
|
194 8PX -1.24132 0.60568 -1.37823 1.23493 1.10105
|
|
195 8PY -0.67981 1.26593 0.27750 -0.38419 0.69463
|
|
196 8PZ -0.67025 0.83198 -1.38734 -0.54496 -0.72107
|
|
197 9PX -0.29197 0.21445 -0.83936 0.81959 1.12336
|
|
198 9PY 0.05479 0.46987 -0.12303 -0.19799 0.82000
|
|
199 9PZ -0.13260 0.40410 -0.83031 -0.18161 -0.08175
|
|
200 10D 0 -0.00375 0.00925 0.03511 -0.03508 -0.01963
|
|
201 10D+1 -0.01462 -0.00823 -0.02989 -0.01116 -0.01150
|
|
202 10D-1 0.01578 0.00675 -0.01076 -0.01588 -0.01436
|
|
203 10D+2 0.00382 0.03642 0.00913 0.00853 0.02998
|
|
204 10D-2 -0.00908 0.00870 0.00419 -0.00554 0.00395
|
|
205 11D 0 0.02232 -0.04778 -0.20839 0.28769 0.20941
|
|
206 11D+1 0.17737 -0.07260 0.27977 0.15355 0.02964
|
|
207 11D-1 -0.06320 -0.07273 0.10330 0.14443 0.07306
|
|
208 11D+2 0.04304 -0.29329 0.02143 -0.07977 -0.27371
|
|
209 11D-2 0.08200 -0.08015 0.03083 0.06532 -0.07801
|
|
210 12D 0 -0.14100 -0.00884 0.34245 0.93346 0.91877
|
|
211 12D+1 -0.31433 -0.45127 0.42979 -0.03626 0.56224
|
|
212 12D-1 -0.00975 -0.36148 0.02855 0.26278 -0.42010
|
|
213 12D+2 -0.24200 0.21815 0.28617 -0.77356 -0.53922
|
|
214 12D-2 -0.02390 -0.49434 -0.00673 0.40718 -0.74473
|
|
215 13F 0 -0.01213 -0.00260 0.00044 0.03895 -0.03880
|
|
216 13F+1 -0.00668 0.01731 -0.00070 0.02275 0.03721
|
|
217 13F-1 0.01523 -0.03346 -0.04238 -0.01094 -0.01952
|
|
218 13F+2 0.04338 0.01376 0.01169 -0.00698 0.02382
|
|
219 13F-2 -0.01955 0.06020 0.04417 0.00399 -0.02090
|
|
220 13F+3 -0.03034 0.03367 0.00947 -0.00193 -0.03246
|
|
221 13F-3 0.00617 -0.02322 -0.01962 0.03457 -0.00664
|
|
222 14F 0 0.10073 -0.15854 0.02646 -0.57739 0.16103
|
|
223 14F+1 0.05548 -0.08947 -0.03423 -0.72121 -0.92676
|
|
224 14F-1 -0.10570 0.28745 0.29867 -0.05619 0.11656
|
|
225 14F+2 -0.28134 0.06988 -0.20896 0.17027 -0.21558
|
|
226 14F-2 0.15279 -0.28714 -0.42279 -0.29648 0.34064
|
|
227 14F+3 0.32408 -0.21655 -0.19015 0.34597 0.54283
|
|
228 14F-3 -0.02535 0.31664 0.07088 -0.43046 0.37968
|
|
229 15G 0 0.00108 0.00437 0.00221 -0.00771 -0.02482
|
|
230 15G+1 0.00126 0.01039 0.00195 0.04281 0.03273
|
|
231 15G-1 -0.00093 0.00316 0.00371 0.00340 0.00582
|
|
232 15G+2 -0.00246 -0.00375 -0.00228 0.02073 0.03996
|
|
233 15G-2 -0.00167 -0.00123 0.00034 0.01735 0.00210
|
|
234 15G+3 -0.00946 -0.00228 0.00431 -0.02270 0.00191
|
|
235 15G-3 -0.00748 -0.01132 0.00449 0.01893 -0.01909
|
|
236 15G+4 -0.00702 0.00356 0.00232 -0.02610 -0.01353
|
|
237 15G-4 -0.00610 -0.00252 0.00624 0.00783 -0.02469
|
|
238 4 H 1S 0.02289 0.01213 -0.02180 0.01342 0.00441
|
|
239 2S -1.12072 -0.78074 0.56441 -0.44220 0.11413
|
|
240 3S -4.44040 2.20729 3.31149 1.72914 -1.36494
|
|
241 4S -1.50926 0.26729 2.39812 0.31155 -2.19157
|
|
242 5S 0.26657 0.16362 -0.11988 0.11374 0.09140
|
|
243 6PX -0.00654 -0.01435 0.00099 0.00025 0.01455
|
|
244 6PY -0.01458 0.02101 -0.01934 0.00799 0.00151
|
|
245 6PZ 0.00104 0.00355 -0.00378 -0.01899 0.00800
|
|
246 7PX 0.01669 0.02522 -0.03101 -0.07986 -0.04425
|
|
247 7PY 0.09397 -0.15253 0.12337 -0.02768 0.00492
|
|
248 7PZ 0.00468 0.01633 0.03738 0.08326 0.01171
|
|
249 8PX -1.24132 0.60568 1.37823 1.23493 -1.10105
|
|
250 8PY -0.67981 1.26593 -0.27750 -0.38419 -0.69463
|
|
251 8PZ 0.67025 -0.83198 -1.38734 0.54496 -0.72107
|
|
252 9PX -0.29197 0.21445 0.83936 0.81959 -1.12336
|
|
253 9PY 0.05479 0.46987 0.12303 -0.19799 -0.82000
|
|
254 9PZ 0.13260 -0.40410 -0.83031 0.18161 -0.08175
|
|
255 10D 0 0.00375 -0.00925 0.03511 0.03508 -0.01963
|
|
256 10D+1 -0.01462 -0.00823 0.02989 -0.01116 0.01150
|
|
257 10D-1 0.01578 0.00675 0.01076 -0.01588 0.01436
|
|
258 10D+2 -0.00382 -0.03642 0.00913 -0.00853 0.02998
|
|
259 10D-2 0.00908 -0.00870 0.00419 0.00554 0.00395
|
|
260 11D 0 -0.02232 0.04778 -0.20839 -0.28769 0.20941
|
|
261 11D+1 0.17737 -0.07260 -0.27977 0.15355 -0.02964
|
|
262 11D-1 -0.06320 -0.07273 -0.10330 0.14443 -0.07306
|
|
263 11D+2 -0.04304 0.29329 0.02143 0.07977 -0.27371
|
|
264 11D-2 -0.08200 0.08015 0.03083 -0.06532 -0.07801
|
|
265 12D 0 0.14100 0.00884 0.34245 -0.93346 0.91877
|
|
266 12D+1 -0.31433 -0.45127 -0.42979 -0.03626 -0.56224
|
|
267 12D-1 -0.00975 -0.36148 -0.02855 0.26278 0.42010
|
|
268 12D+2 0.24200 -0.21815 0.28617 0.77356 -0.53922
|
|
269 12D-2 0.02390 0.49434 -0.00673 -0.40718 -0.74473
|
|
270 13F 0 0.01213 0.00260 0.00044 -0.03895 -0.03880
|
|
271 13F+1 -0.00668 0.01731 0.00070 0.02275 -0.03721
|
|
272 13F-1 0.01523 -0.03346 0.04238 -0.01094 0.01952
|
|
273 13F+2 -0.04338 -0.01376 0.01169 0.00698 0.02382
|
|
274 13F-2 0.01955 -0.06020 0.04417 -0.00399 -0.02090
|
|
275 13F+3 -0.03034 0.03367 -0.00947 -0.00193 0.03246
|
|
276 13F-3 0.00617 -0.02322 0.01962 0.03457 0.00664
|
|
277 14F 0 -0.10073 0.15854 0.02646 0.57739 0.16103
|
|
278 14F+1 0.05548 -0.08947 0.03423 -0.72121 0.92676
|
|
279 14F-1 -0.10570 0.28745 -0.29867 -0.05619 -0.11656
|
|
280 14F+2 0.28134 -0.06988 -0.20896 -0.17027 -0.21558
|
|
281 14F-2 -0.15279 0.28714 -0.42279 0.29648 0.34064
|
|
282 14F+3 0.32408 -0.21655 0.19015 0.34597 -0.54283
|
|
283 14F-3 -0.02535 0.31664 -0.07088 -0.43046 -0.37968
|
|
284 15G 0 -0.00108 -0.00437 0.00221 0.00771 -0.02482
|
|
285 15G+1 0.00126 0.01039 -0.00195 0.04281 -0.03273
|
|
286 15G-1 -0.00093 0.00316 -0.00371 0.00340 -0.00582
|
|
287 15G+2 0.00246 0.00375 -0.00228 -0.02073 0.03996
|
|
288 15G-2 0.00167 0.00123 0.00034 -0.01735 0.00210
|
|
289 15G+3 -0.00946 -0.00228 -0.00431 -0.02270 -0.00191
|
|
290 15G-3 -0.00748 -0.01132 -0.00449 0.01893 0.01909
|
|
291 15G+4 0.00702 -0.00356 0.00232 0.02610 -0.01353
|
|
292 15G-4 0.00610 0.00252 0.00624 -0.00783 -0.02469
|
|
96 97 98 99 100
|
|
V V V V V
|
|
Eigenvalues -- 4.48703 4.59550 4.60765 4.65102 4.71016
|
|
1 1 O 1S -0.00708 -0.05656 -0.01319 -0.04100 0.00753
|
|
2 2S 0.01085 -0.00455 -0.00326 -0.01615 0.01106
|
|
3 3S -0.02206 -0.62038 -0.13532 -0.54135 0.15316
|
|
4 4S 0.41838 3.07081 0.39654 2.36742 -0.28734
|
|
5 5S -2.21933 -1.04639 1.52223 1.97774 -4.25270
|
|
6 6S -2.38715 -4.79073 0.28846 0.57657 -2.77622
|
|
7 7PX -0.02132 0.01630 -0.03995 -0.02308 0.01079
|
|
8 7PY 0.01375 0.06869 0.04622 -0.00921 0.02103
|
|
9 7PZ 0.03130 -0.04863 0.02656 -0.00966 0.02115
|
|
10 8PX -0.03561 -0.00074 -0.12495 -0.23439 0.17050
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|
|
243 6PX 0.00214 0.01082 0.00371 -0.00416 -0.00837
|
|
244 6PY 0.00319 0.01939 -0.02149 0.01078 0.00426
|
|
245 6PZ 0.00090 0.00635 0.01925 0.01353 -0.00842
|
|
246 7PX 0.00409 -0.12964 0.05186 0.19367 0.15075
|
|
247 7PY 0.01000 -0.10120 0.09129 0.00097 -0.01766
|
|
248 7PZ -0.06775 0.06464 -0.11449 -0.18242 -0.03729
|
|
249 8PX 0.03624 1.24628 -0.94856 -2.06754 -1.03545
|
|
250 8PY -0.51044 0.35102 0.66023 -1.28301 0.29487
|
|
251 8PZ 1.09156 -1.88890 -0.19816 1.15816 1.10548
|
|
252 9PX -0.05060 1.39552 -0.76196 -1.32269 -0.67542
|
|
253 9PY -0.26061 0.51865 0.50003 -1.17080 0.11635
|
|
254 9PZ 0.54405 -1.55950 0.00575 0.67023 0.72820
|
|
255 10D 0 0.01194 -0.00975 -0.01487 -0.01800 0.00098
|
|
256 10D+1 -0.01726 0.02850 -0.00566 -0.03982 -0.02317
|
|
257 10D-1 -0.01024 -0.00629 0.02851 -0.00449 -0.03860
|
|
258 10D+2 -0.00532 -0.00508 0.01744 0.01292 0.00984
|
|
259 10D-2 0.00914 0.04665 -0.00710 0.01503 0.01471
|
|
260 11D 0 -0.11736 0.11276 0.11687 0.11847 -0.03393
|
|
261 11D+1 0.14110 -0.18891 -0.03840 0.18560 0.12746
|
|
262 11D-1 0.07350 0.06954 -0.23425 0.04235 0.24606
|
|
263 11D+2 0.04877 0.00359 -0.10907 -0.06510 -0.04938
|
|
264 11D-2 -0.09069 -0.33952 0.12431 -0.11372 -0.09372
|
|
265 12D 0 -0.38606 0.71380 0.78901 0.50003 -0.04414
|
|
266 12D+1 0.58690 -1.22734 0.32440 1.51589 1.76905
|
|
267 12D-1 0.86857 -0.33167 -0.60195 0.59570 -0.30606
|
|
268 12D+2 0.12408 0.22273 -0.71644 -0.81145 -0.43537
|
|
269 12D-2 0.08645 0.30301 0.63622 -1.61953 0.08133
|
|
270 13F 0 0.02043 0.01558 0.04758 0.02777 0.06191
|
|
271 13F+1 -0.02245 -0.02535 -0.02178 0.00529 0.03010
|
|
272 13F-1 0.08162 -0.00215 -0.01165 -0.03838 -0.03241
|
|
273 13F+2 -0.00083 0.01148 -0.02672 -0.03249 -0.03709
|
|
274 13F-2 -0.03616 0.00393 0.02848 -0.01491 0.01565
|
|
275 13F+3 0.00122 -0.00652 -0.00479 -0.01782 -0.03837
|
|
276 13F-3 -0.05328 -0.00215 -0.01455 0.04470 -0.01142
|
|
277 14F 0 -0.19932 -0.13551 -0.62048 -0.57930 -0.76382
|
|
278 14F+1 -0.13223 0.77296 0.49767 -0.05412 -0.60757
|
|
279 14F-1 -0.88935 0.11380 0.29763 0.35291 0.27375
|
|
280 14F+2 0.06968 -0.43428 0.45019 0.63467 0.72912
|
|
281 14F-2 0.56605 0.00859 -0.68721 0.59902 -0.07197
|
|
282 14F+3 0.08859 0.11897 -0.28771 0.03993 0.27049
|
|
283 14F-3 0.46562 -0.13423 0.40909 -0.92483 0.08501
|
|
284 15G 0 0.01580 -0.02388 -0.00101 0.01255 0.02601
|
|
285 15G+1 0.00730 -0.02007 -0.03432 -0.02590 -0.00750
|
|
286 15G-1 0.00539 -0.00642 -0.00257 -0.01700 -0.00349
|
|
287 15G+2 -0.01046 0.03710 0.00661 -0.01178 -0.03365
|
|
288 15G-2 -0.03074 0.01140 0.02833 -0.00670 -0.00028
|
|
289 15G+3 -0.00696 -0.01941 0.03053 0.01046 0.01957
|
|
290 15G-3 0.01154 0.00211 -0.03214 0.04517 0.00253
|
|
291 15G+4 0.00165 0.00409 -0.02337 0.00502 0.00134
|
|
292 15G-4 0.00875 -0.00701 0.01587 -0.03789 0.00383
|
|
101 102 103 104 105
|
|
V V V V V
|
|
Eigenvalues -- 4.76765 4.81878 4.84050 4.94015 4.96164
|
|
1 1 O 1S 0.02121 -0.03145 -0.00497 0.01871 0.02590
|
|
2 2S -0.04284 0.01605 -0.01310 0.00616 0.01180
|
|
3 3S 0.01606 -0.28659 -0.11503 0.25304 0.36135
|
|
4 4S -0.83303 1.40140 0.59594 -1.28437 -1.71417
|
|
5 5S 4.64963 1.83887 -1.32954 -0.21812 -1.17640
|
|
6 6S 3.04990 -1.02702 -0.82931 2.59955 0.11063
|
|
7 7PX -0.00331 -0.03804 0.00311 0.02768 0.01083
|
|
8 7PY 0.02198 0.00195 0.02106 -0.00139 0.00651
|
|
9 7PZ -0.00672 -0.02035 -0.01449 0.01110 0.03026
|
|
10 8PX -0.11025 -0.21992 0.04706 0.19795 0.04332
|
|
11 8PY -0.14678 0.05142 0.16894 -0.01082 -0.06405
|
|
12 8PZ -0.09735 -0.09157 -0.07282 -0.01441 0.26433
|
|
13 9PX 1.30804 1.47495 -0.04112 -1.20760 -1.24485
|
|
14 9PY 1.54199 0.28754 -0.42938 -0.18545 0.11496
|
|
15 9PZ 1.03291 0.72287 0.20510 -0.33170 -1.45750
|
|
16 10PX -1.28356 -1.14257 -0.84484 1.67054 1.91859
|
|
17 10PY -3.60407 1.19126 -0.80458 -0.05745 1.94417
|
|
18 10PZ -0.93727 -0.94214 -0.46242 1.47619 0.98978
|
|
19 11PX -0.08971 0.24743 -0.16473 0.13861 0.01501
|
|
20 11PY -0.22452 0.36424 -0.22633 -0.26576 -0.03250
|
|
21 11PZ 0.14379 -0.09604 -0.01704 0.42771 -0.21572
|
|
22 12D 0 -0.00448 -0.00436 -0.00213 0.00448 -0.00451
|
|
23 12D+1 -0.01452 -0.02277 -0.00261 0.01729 0.00807
|
|
24 12D-1 0.01566 0.00067 0.00595 0.00299 0.00652
|
|
25 12D+2 -0.02896 -0.01269 -0.00025 0.00760 0.00928
|
|
26 12D-2 0.00644 0.01500 -0.01725 -0.00023 0.01256
|
|
27 13D 0 -0.00019 0.03849 0.00383 -0.02989 0.03185
|
|
28 13D+1 0.03528 0.11589 0.00261 -0.08419 -0.04399
|
|
29 13D-1 -0.07236 -0.00105 -0.01394 0.00142 -0.01395
|
|
30 13D+2 0.09778 0.07472 -0.01114 -0.02305 -0.03499
|
|
31 13D-2 -0.03744 -0.07361 0.04790 -0.00744 -0.07396
|
|
32 14D 0 -0.11049 -0.27356 -0.01289 0.26257 -0.22386
|
|
33 14D+1 0.04737 -0.26141 0.02254 0.24924 -0.32805
|
|
34 14D-1 0.81587 0.28281 0.10169 0.02295 0.28232
|
|
35 14D+2 -0.58675 -0.02573 -0.05645 -0.03947 -0.07512
|
|
36 14D-2 0.79241 0.77842 -0.67065 -0.11478 0.44084
|
|
37 15D 0 -0.93612 0.24764 -0.02564 0.18006 -0.24076
|
|
38 15D+1 -0.61048 -0.39454 -0.39419 0.67750 0.88300
|
|
39 15D-1 0.81800 0.26406 -0.13012 -0.50318 0.13407
|
|
40 15D+2 -2.16249 0.21581 -0.52498 0.17632 1.16358
|
|
41 15D-2 0.90357 0.61782 -0.72131 0.19881 0.38673
|
|
42 16F 0 0.00187 -0.00031 -0.00980 0.00223 0.00786
|
|
43 16F+1 0.00005 0.00882 -0.00602 -0.00469 -0.00148
|
|
44 16F-1 0.00071 0.00160 -0.00075 0.00650 0.00493
|
|
45 16F+2 0.00882 0.00914 -0.00735 -0.00687 0.00019
|
|
46 16F-2 -0.00583 -0.00769 0.01018 -0.00048 -0.00684
|
|
47 16F+3 0.01467 0.00890 -0.00484 0.00064 0.00324
|
|
48 16F-3 -0.00712 -0.00706 -0.00217 -0.00635 -0.01478
|
|
49 17F 0 -0.04286 -0.01888 0.07268 -0.00622 -0.02197
|
|
50 17F+1 0.01387 -0.04011 0.06131 0.01015 -0.01066
|
|
51 17F-1 -0.00817 -0.02563 0.00760 -0.04916 -0.03991
|
|
52 17F+2 -0.02441 -0.00414 0.05525 0.00921 -0.03289
|
|
53 17F-2 0.06884 0.05168 -0.06827 0.00076 0.01690
|
|
54 17F+3 -0.07012 -0.04134 0.03009 -0.01749 -0.04799
|
|
55 17F-3 0.04299 0.05382 0.01862 0.03417 0.08105
|
|
56 18F 0 0.38672 0.39659 -0.30363 -0.07773 -0.19432
|
|
57 18F+1 -0.02036 -0.05961 -0.13713 0.13391 -0.00744
|
|
58 18F-1 0.65244 -0.04491 0.32310 -0.31703 0.12643
|
|
59 18F+2 -0.02391 -0.15809 -0.18923 0.16955 0.21568
|
|
60 18F-2 0.56760 0.05247 0.26711 -0.11820 0.11939
|
|
61 18F+3 0.11539 0.38440 -0.45532 -0.03260 0.10125
|
|
62 18F-3 0.95351 0.20143 -0.50095 0.17571 -0.05930
|
|
63 19G 0 -0.00366 -0.00433 0.00221 0.00089 0.00922
|
|
64 19G+1 0.00252 -0.00636 0.00332 0.00235 -0.00304
|
|
65 19G-1 -0.00193 -0.00227 0.00621 0.00510 -0.00453
|
|
66 19G+2 -0.00290 0.00177 0.00210 -0.00384 -0.00596
|
|
67 19G-2 -0.00058 0.00476 -0.00080 0.01217 0.00740
|
|
68 19G+3 0.01011 -0.00051 0.00718 -0.00072 -0.00532
|
|
69 19G-3 -0.00035 0.00233 -0.00437 -0.00112 -0.00456
|
|
70 19G+4 -0.00855 0.00501 -0.00125 0.00262 0.00174
|
|
71 19G-4 -0.00408 -0.00156 0.00163 -0.00802 -0.00366
|
|
72 20G 0 0.02691 0.06360 -0.01702 -0.01982 -0.06989
|
|
73 20G+1 -0.01404 0.04464 -0.03586 -0.00797 0.00641
|
|
74 20G-1 0.00248 0.00479 -0.05154 -0.04902 0.02099
|
|
75 20G+2 0.01317 -0.04740 -0.00434 0.05453 0.03362
|
|
76 20G-2 0.05338 -0.02822 0.00808 -0.10477 -0.04676
|
|
77 20G+3 -0.12517 -0.02734 -0.05447 0.01626 0.02196
|
|
78 20G-3 0.09424 0.02556 0.00250 0.01063 0.07686
|
|
79 20G+4 0.03054 -0.05988 0.02315 -0.02977 -0.03270
|
|
80 20G-4 0.08482 0.05816 -0.04150 0.06927 0.05195
|
|
81 21H 0 -0.00256 0.00166 0.00418 -0.00069 -0.00149
|
|
82 21H+1 0.00980 0.01433 -0.00979 -0.00277 -0.00472
|
|
83 21H-1 -0.00480 0.00170 -0.00250 0.00065 -0.00180
|
|
84 21H+2 0.00098 0.00097 -0.01509 0.00253 0.00226
|
|
85 21H-2 0.00526 0.00293 0.00642 -0.00546 0.00409
|
|
86 21H+3 -0.00514 -0.01107 -0.00878 0.00532 0.00045
|
|
87 21H-3 0.00402 0.00457 0.00966 -0.00262 0.00633
|
|
88 21H+4 -0.00150 -0.00478 -0.00638 0.00304 0.00047
|
|
89 21H-4 0.01568 0.00431 -0.00415 0.00344 0.00491
|
|
90 21H+5 0.00208 -0.00155 0.00139 0.00051 0.00278
|
|
91 21H-5 0.00261 0.00730 -0.01102 0.00368 -0.00054
|
|
92 2 O 1S -0.02121 -0.03145 -0.00497 0.01871 -0.02590
|
|
93 2S 0.04284 0.01605 -0.01310 0.00616 -0.01180
|
|
94 3S -0.01606 -0.28659 -0.11503 0.25304 -0.36135
|
|
95 4S 0.83303 1.40140 0.59594 -1.28437 1.71417
|
|
96 5S -4.64963 1.83887 -1.32954 -0.21812 1.17640
|
|
97 6S -3.04990 -1.02702 -0.82931 2.59955 -0.11063
|
|
98 7PX -0.00331 0.03804 -0.00311 -0.02768 0.01083
|
|
99 7PY 0.02198 -0.00195 -0.02106 0.00139 0.00651
|
|
100 7PZ 0.00672 -0.02035 -0.01449 0.01110 -0.03026
|
|
101 8PX -0.11025 0.21992 -0.04706 -0.19795 0.04332
|
|
102 8PY -0.14678 -0.05142 -0.16894 0.01082 -0.06405
|
|
103 8PZ 0.09735 -0.09157 -0.07282 -0.01441 -0.26433
|
|
104 9PX 1.30804 -1.47495 0.04112 1.20760 -1.24485
|
|
105 9PY 1.54199 -0.28754 0.42938 0.18545 0.11496
|
|
106 9PZ -1.03291 0.72287 0.20510 -0.33170 1.45750
|
|
107 10PX -1.28356 1.14257 0.84484 -1.67054 1.91859
|
|
108 10PY -3.60407 -1.19126 0.80458 0.05745 1.94417
|
|
109 10PZ 0.93727 -0.94214 -0.46242 1.47619 -0.98978
|
|
110 11PX -0.08971 -0.24743 0.16473 -0.13861 0.01501
|
|
111 11PY -0.22452 -0.36424 0.22633 0.26576 -0.03250
|
|
112 11PZ -0.14379 -0.09604 -0.01704 0.42771 0.21572
|
|
113 12D 0 0.00448 -0.00436 -0.00213 0.00448 0.00451
|
|
114 12D+1 -0.01452 0.02277 0.00261 -0.01729 0.00807
|
|
115 12D-1 0.01566 -0.00067 -0.00595 -0.00299 0.00652
|
|
116 12D+2 0.02896 -0.01269 -0.00025 0.00760 -0.00928
|
|
117 12D-2 -0.00644 0.01500 -0.01725 -0.00023 -0.01256
|
|
118 13D 0 0.00019 0.03849 0.00383 -0.02989 -0.03185
|
|
119 13D+1 0.03528 -0.11589 -0.00261 0.08419 -0.04399
|
|
120 13D-1 -0.07236 0.00105 0.01394 -0.00142 -0.01395
|
|
121 13D+2 -0.09778 0.07472 -0.01114 -0.02305 0.03499
|
|
122 13D-2 0.03744 -0.07361 0.04790 -0.00744 0.07396
|
|
123 14D 0 0.11049 -0.27356 -0.01289 0.26257 0.22386
|
|
124 14D+1 0.04737 0.26141 -0.02254 -0.24924 -0.32805
|
|
125 14D-1 0.81587 -0.28281 -0.10169 -0.02295 0.28232
|
|
126 14D+2 0.58675 -0.02573 -0.05645 -0.03947 0.07512
|
|
127 14D-2 -0.79241 0.77842 -0.67065 -0.11478 -0.44084
|
|
128 15D 0 0.93612 0.24764 -0.02564 0.18006 0.24076
|
|
129 15D+1 -0.61048 0.39454 0.39419 -0.67750 0.88300
|
|
130 15D-1 0.81800 -0.26406 0.13012 0.50318 0.13407
|
|
131 15D+2 2.16249 0.21581 -0.52498 0.17632 -1.16358
|
|
132 15D-2 -0.90357 0.61782 -0.72131 0.19881 -0.38673
|
|
133 16F 0 -0.00187 -0.00031 -0.00980 0.00223 -0.00786
|
|
134 16F+1 0.00005 -0.00882 0.00602 0.00469 -0.00148
|
|
135 16F-1 0.00071 -0.00160 0.00075 -0.00650 0.00493
|
|
136 16F+2 -0.00882 0.00914 -0.00735 -0.00687 -0.00019
|
|
137 16F-2 0.00583 -0.00769 0.01018 -0.00048 0.00684
|
|
138 16F+3 0.01467 -0.00890 0.00484 -0.00064 0.00324
|
|
139 16F-3 -0.00712 0.00706 0.00217 0.00635 -0.01478
|
|
140 17F 0 0.04286 -0.01888 0.07268 -0.00622 0.02197
|
|
141 17F+1 0.01387 0.04011 -0.06131 -0.01015 -0.01066
|
|
142 17F-1 -0.00817 0.02563 -0.00760 0.04916 -0.03991
|
|
143 17F+2 0.02441 -0.00414 0.05525 0.00921 0.03289
|
|
144 17F-2 -0.06884 0.05168 -0.06827 0.00076 -0.01690
|
|
145 17F+3 -0.07012 0.04134 -0.03009 0.01749 -0.04799
|
|
146 17F-3 0.04299 -0.05382 -0.01862 -0.03417 0.08105
|
|
147 18F 0 -0.38672 0.39659 -0.30363 -0.07773 0.19432
|
|
148 18F+1 -0.02036 0.05961 0.13713 -0.13391 -0.00744
|
|
149 18F-1 0.65244 0.04491 -0.32310 0.31703 0.12643
|
|
150 18F+2 0.02391 -0.15809 -0.18923 0.16955 -0.21568
|
|
151 18F-2 -0.56760 0.05247 0.26711 -0.11820 -0.11939
|
|
152 18F+3 0.11539 -0.38440 0.45532 0.03260 0.10125
|
|
153 18F-3 0.95351 -0.20143 0.50095 -0.17571 -0.05930
|
|
154 19G 0 0.00366 -0.00433 0.00221 0.00089 -0.00922
|
|
155 19G+1 0.00252 0.00636 -0.00332 -0.00235 -0.00304
|
|
156 19G-1 -0.00193 0.00227 -0.00621 -0.00510 -0.00453
|
|
157 19G+2 0.00290 0.00177 0.00210 -0.00384 0.00596
|
|
158 19G-2 0.00058 0.00476 -0.00080 0.01217 -0.00740
|
|
159 19G+3 0.01011 0.00051 -0.00718 0.00072 -0.00532
|
|
160 19G-3 -0.00035 -0.00233 0.00437 0.00112 -0.00456
|
|
161 19G+4 0.00855 0.00501 -0.00125 0.00262 -0.00174
|
|
162 19G-4 0.00408 -0.00156 0.00163 -0.00802 0.00366
|
|
163 20G 0 -0.02691 0.06360 -0.01702 -0.01982 0.06989
|
|
164 20G+1 -0.01404 -0.04464 0.03586 0.00797 0.00641
|
|
165 20G-1 0.00248 -0.00479 0.05154 0.04902 0.02099
|
|
166 20G+2 -0.01317 -0.04740 -0.00434 0.05453 -0.03362
|
|
167 20G-2 -0.05338 -0.02822 0.00808 -0.10477 0.04676
|
|
168 20G+3 -0.12517 0.02734 0.05447 -0.01626 0.02196
|
|
169 20G-3 0.09424 -0.02556 -0.00250 -0.01063 0.07686
|
|
170 20G+4 -0.03054 -0.05988 0.02315 -0.02977 0.03270
|
|
171 20G-4 -0.08482 0.05816 -0.04150 0.06927 -0.05195
|
|
172 21H 0 0.00256 0.00166 0.00418 -0.00069 0.00149
|
|
173 21H+1 0.00980 -0.01433 0.00979 0.00277 -0.00472
|
|
174 21H-1 -0.00480 -0.00170 0.00250 -0.00065 -0.00180
|
|
175 21H+2 -0.00098 0.00097 -0.01509 0.00253 -0.00226
|
|
176 21H-2 -0.00526 0.00293 0.00642 -0.00546 -0.00409
|
|
177 21H+3 -0.00514 0.01107 0.00878 -0.00532 0.00045
|
|
178 21H-3 0.00402 -0.00457 -0.00966 0.00262 0.00633
|
|
179 21H+4 0.00150 -0.00478 -0.00638 0.00304 -0.00047
|
|
180 21H-4 -0.01568 0.00431 -0.00415 0.00344 -0.00491
|
|
181 21H+5 0.00208 0.00155 -0.00139 -0.00051 0.00278
|
|
182 21H-5 0.00261 -0.00730 0.01102 -0.00368 -0.00054
|
|
183 3 H 1S -0.00682 -0.02628 -0.00626 0.02001 0.02634
|
|
184 2S 0.13176 0.49433 0.13063 -0.30752 -0.59543
|
|
185 3S -0.57674 -0.90025 1.51544 -0.79820 -1.06507
|
|
186 4S 0.17006 0.17206 0.52971 -1.92622 0.65395
|
|
187 5S -0.02762 -0.02601 0.01919 0.10325 0.07386
|
|
188 6PX -0.01378 0.01583 0.01002 -0.02412 -0.00192
|
|
189 6PY 0.02039 0.03230 -0.00579 -0.02182 0.01298
|
|
190 6PZ -0.00019 -0.00102 -0.01633 0.02622 -0.02258
|
|
191 7PX 0.00960 -0.19485 -0.06648 0.21416 0.09634
|
|
192 7PY -0.09266 -0.20474 0.04006 0.16030 -0.04317
|
|
193 7PZ -0.04303 -0.07166 0.10865 -0.14023 0.21017
|
|
194 8PX 1.34239 0.99619 -0.27942 -0.26650 -0.68354
|
|
195 8PY -1.27109 -0.34982 0.17245 0.01000 -0.43123
|
|
196 8PZ 0.73462 0.94980 -0.54865 -0.22757 -0.22052
|
|
197 9PX 0.48507 0.29631 -0.22914 0.60172 -0.97977
|
|
198 9PY -1.29636 -0.96155 0.57069 0.68906 -0.49121
|
|
199 9PZ 0.06830 0.55693 -0.31666 -0.31505 -0.06527
|
|
200 10D 0 0.03615 -0.00685 -0.00514 0.00269 -0.00477
|
|
201 10D+1 0.00126 0.00988 0.02492 -0.03870 -0.05585
|
|
202 10D-1 -0.00769 0.07395 0.06070 0.10975 0.10056
|
|
203 10D+2 0.05276 0.03771 -0.01246 0.02026 0.03693
|
|
204 10D-2 0.02650 -0.05866 -0.07560 -0.06136 -0.05899
|
|
205 11D 0 -0.21395 0.03044 -0.01404 -0.01481 0.06188
|
|
206 11D+1 -0.05475 0.01769 -0.13465 0.14862 0.24593
|
|
207 11D-1 0.07643 -0.41088 -0.32922 -0.69649 -0.63440
|
|
208 11D+2 -0.35349 -0.16091 0.09182 -0.18470 -0.32380
|
|
209 11D-2 -0.12803 0.42171 0.50846 0.33698 0.32473
|
|
210 12D 0 -0.03759 -0.70692 0.60076 0.42577 -0.54462
|
|
211 12D+1 -0.86338 -1.03125 0.11201 0.68734 0.64853
|
|
212 12D-1 0.67192 0.52734 -0.51896 0.90877 0.87030
|
|
213 12D+2 -1.44111 -1.03590 0.28230 0.50105 1.10070
|
|
214 12D-2 1.17064 0.23301 -0.47953 -0.60169 0.80411
|
|
215 13F 0 -0.01826 -0.02672 0.05187 -0.01774 -0.02654
|
|
216 13F+1 -0.00272 -0.02996 0.02139 0.03289 -0.01417
|
|
217 13F-1 -0.01508 -0.00872 -0.03882 0.04118 0.00063
|
|
218 13F+2 -0.03712 -0.03061 0.01809 0.01151 0.01839
|
|
219 13F-2 0.00978 -0.00241 -0.04311 0.03141 0.02416
|
|
220 13F+3 -0.06087 -0.05626 0.01608 0.03033 0.02081
|
|
221 13F-3 -0.00585 -0.01210 0.02515 -0.02735 0.04747
|
|
222 14F 0 0.07522 0.23273 -0.57937 0.23732 0.40791
|
|
223 14F+1 0.12430 0.53368 -0.25966 -0.40394 0.12940
|
|
224 14F-1 0.10767 0.09270 0.41946 -0.51127 -0.06081
|
|
225 14F+2 0.77093 0.60927 -0.20678 -0.22475 -0.29470
|
|
226 14F-2 -0.35744 -0.09752 0.50266 -0.39737 -0.49378
|
|
227 14F+3 1.01052 0.76932 -0.19891 -0.37777 -0.25087
|
|
228 14F-3 -0.14946 0.00940 -0.24205 0.27996 -0.68715
|
|
229 15G 0 0.00361 0.01001 0.00370 -0.01151 -0.00628
|
|
230 15G+1 0.00577 -0.00943 0.01673 -0.00264 -0.01765
|
|
231 15G-1 -0.00669 -0.00512 0.00213 0.00858 -0.00305
|
|
232 15G+2 -0.01268 -0.02558 0.00900 0.00733 -0.00132
|
|
233 15G-2 0.00599 0.00242 -0.01113 0.02090 0.01244
|
|
234 15G+3 -0.03946 -0.03217 0.00805 0.01049 0.00627
|
|
235 15G-3 0.01831 0.00380 -0.01163 0.01041 0.03023
|
|
236 15G+4 -0.03487 -0.01944 0.00875 0.00953 0.00211
|
|
237 15G-4 0.00746 -0.00143 0.00080 -0.00399 0.01795
|
|
238 4 H 1S 0.00682 -0.02628 -0.00626 0.02001 -0.02634
|
|
239 2S -0.13176 0.49433 0.13063 -0.30752 0.59543
|
|
240 3S 0.57674 -0.90025 1.51544 -0.79820 1.06507
|
|
241 4S -0.17006 0.17206 0.52971 -1.92622 -0.65395
|
|
242 5S 0.02762 -0.02601 0.01919 0.10325 -0.07386
|
|
243 6PX -0.01378 -0.01583 -0.01002 0.02412 -0.00192
|
|
244 6PY 0.02039 -0.03230 0.00579 0.02182 0.01298
|
|
245 6PZ 0.00019 -0.00102 -0.01633 0.02622 0.02258
|
|
246 7PX 0.00960 0.19485 0.06648 -0.21416 0.09634
|
|
247 7PY -0.09266 0.20474 -0.04006 -0.16030 -0.04317
|
|
248 7PZ 0.04303 -0.07166 0.10865 -0.14023 -0.21017
|
|
249 8PX 1.34239 -0.99619 0.27942 0.26650 -0.68354
|
|
250 8PY -1.27109 0.34982 -0.17245 -0.01000 -0.43123
|
|
251 8PZ -0.73462 0.94980 -0.54865 -0.22757 0.22052
|
|
252 9PX 0.48507 -0.29631 0.22914 -0.60172 -0.97977
|
|
253 9PY -1.29636 0.96155 -0.57069 -0.68906 -0.49121
|
|
254 9PZ -0.06830 0.55693 -0.31666 -0.31505 0.06527
|
|
255 10D 0 -0.03615 -0.00685 -0.00514 0.00269 0.00477
|
|
256 10D+1 0.00126 -0.00988 -0.02492 0.03870 -0.05585
|
|
257 10D-1 -0.00769 -0.07395 -0.06070 -0.10975 0.10056
|
|
258 10D+2 -0.05276 0.03771 -0.01246 0.02026 -0.03693
|
|
259 10D-2 -0.02650 -0.05866 -0.07560 -0.06136 0.05899
|
|
260 11D 0 0.21395 0.03044 -0.01404 -0.01481 -0.06188
|
|
261 11D+1 -0.05475 -0.01769 0.13465 -0.14862 0.24593
|
|
262 11D-1 0.07643 0.41088 0.32922 0.69649 -0.63440
|
|
263 11D+2 0.35349 -0.16091 0.09182 -0.18470 0.32380
|
|
264 11D-2 0.12803 0.42171 0.50846 0.33698 -0.32473
|
|
265 12D 0 0.03759 -0.70692 0.60076 0.42577 0.54462
|
|
266 12D+1 -0.86338 1.03125 -0.11201 -0.68734 0.64853
|
|
267 12D-1 0.67192 -0.52734 0.51896 -0.90877 0.87030
|
|
268 12D+2 1.44111 -1.03590 0.28230 0.50105 -1.10070
|
|
269 12D-2 -1.17064 0.23301 -0.47953 -0.60169 -0.80411
|
|
270 13F 0 0.01826 -0.02672 0.05187 -0.01774 0.02654
|
|
271 13F+1 -0.00272 0.02996 -0.02139 -0.03289 -0.01417
|
|
272 13F-1 -0.01508 0.00872 0.03882 -0.04118 0.00063
|
|
273 13F+2 0.03712 -0.03061 0.01809 0.01151 -0.01839
|
|
274 13F-2 -0.00978 -0.00241 -0.04311 0.03141 -0.02416
|
|
275 13F+3 -0.06087 0.05626 -0.01608 -0.03033 0.02081
|
|
276 13F-3 -0.00585 0.01210 -0.02515 0.02735 0.04747
|
|
277 14F 0 -0.07522 0.23273 -0.57937 0.23732 -0.40791
|
|
278 14F+1 0.12430 -0.53368 0.25966 0.40394 0.12940
|
|
279 14F-1 0.10767 -0.09270 -0.41946 0.51127 -0.06081
|
|
280 14F+2 -0.77093 0.60927 -0.20678 -0.22475 0.29470
|
|
281 14F-2 0.35744 -0.09752 0.50266 -0.39737 0.49378
|
|
282 14F+3 1.01052 -0.76932 0.19891 0.37777 -0.25087
|
|
283 14F-3 -0.14946 -0.00940 0.24205 -0.27996 -0.68715
|
|
284 15G 0 -0.00361 0.01001 0.00370 -0.01151 0.00628
|
|
285 15G+1 0.00577 0.00943 -0.01673 0.00264 -0.01765
|
|
286 15G-1 -0.00669 0.00512 -0.00213 -0.00858 -0.00305
|
|
287 15G+2 0.01268 -0.02558 0.00900 0.00733 0.00132
|
|
288 15G-2 -0.00599 0.00242 -0.01113 0.02090 -0.01244
|
|
289 15G+3 -0.03946 0.03217 -0.00805 -0.01049 0.00627
|
|
290 15G-3 0.01831 -0.00380 0.01163 -0.01041 0.03023
|
|
291 15G+4 0.03487 -0.01944 0.00875 0.00953 -0.00211
|
|
292 15G-4 -0.00746 -0.00143 0.00080 -0.00399 -0.01795
|
|
106 107 108 109 110
|
|
V V V V V
|
|
Eigenvalues -- 4.97358 5.06288 5.15170 5.16705 5.35980
|
|
1 1 O 1S -0.00165 -0.00084 0.01292 -0.00480 0.00253
|
|
2 2S -0.00094 0.00990 0.00244 0.02443 -0.00802
|
|
3 3S -0.03639 0.04516 0.18790 0.06932 0.00354
|
|
4 4S 0.16241 -0.12005 -1.35654 0.08823 -0.10912
|
|
5 5S 0.63302 -0.53704 2.85825 -2.66979 -0.31652
|
|
6 6S -0.23955 -0.32431 0.47367 -2.66720 -0.40188
|
|
7 7PX 0.03676 0.04672 0.00926 0.01251 -0.00533
|
|
8 7PY -0.02452 0.00333 0.03647 0.00432 -0.03989
|
|
9 7PZ -0.05975 -0.05544 -0.02704 -0.00263 0.00906
|
|
10 8PX 0.37519 0.45897 0.09559 0.14740 0.08089
|
|
11 8PY -0.28416 -0.01738 0.56793 0.03791 -0.44472
|
|
12 8PZ -0.63403 -0.60582 -0.25643 0.06063 0.02856
|
|
13 9PX -0.52502 -1.34547 -0.76606 -1.14035 -0.58393
|
|
14 9PY 0.80722 0.01787 -1.76979 -0.49559 1.13875
|
|
15 9PZ 1.66064 1.25246 0.22724 -0.83265 -0.05663
|
|
16 10PX -0.33739 0.14787 3.37295 1.05641 1.64487
|
|
17 10PY 0.28348 0.84794 1.00401 3.73080 0.24650
|
|
18 10PZ 0.26266 0.27525 1.20034 -0.36560 0.05237
|
|
19 11PX -0.24524 -0.12750 0.20211 0.09134 0.05897
|
|
20 11PY 0.20641 0.07921 0.01776 0.40549 0.16040
|
|
21 11PZ 0.16827 0.31300 0.17786 -0.09346 -0.09259
|
|
22 12D 0 -0.00143 -0.00092 -0.00495 -0.00309 0.00230
|
|
23 12D+1 -0.00485 0.00182 0.00348 0.00263 0.00334
|
|
24 12D-1 0.00012 0.00066 0.00259 -0.00325 0.00360
|
|
25 12D+2 -0.00256 0.00594 0.00433 0.01828 -0.00075
|
|
26 12D-2 0.00230 0.00410 0.01351 0.00822 -0.00255
|
|
27 13D 0 -0.00399 0.00015 0.03605 0.03811 -0.02101
|
|
28 13D+1 0.01839 -0.01377 0.00325 -0.00794 -0.00687
|
|
29 13D-1 0.00849 -0.00990 -0.00761 -0.00223 0.00337
|
|
30 13D+2 0.00644 -0.01368 0.01408 -0.05223 -0.01446
|
|
31 13D-2 0.00386 -0.03256 -0.04396 -0.03992 -0.03556
|
|
32 14D 0 0.29468 0.29097 -0.22699 -0.26499 0.09719
|
|
33 14D+1 0.15198 0.08818 0.01985 -0.39771 0.04189
|
|
34 14D-1 0.14142 0.04599 -0.01774 -0.17860 0.24929
|
|
35 14D+2 -0.05418 -0.12233 -0.12518 0.26695 -0.07478
|
|
36 14D-2 0.21465 0.10389 0.35274 0.23048 0.16369
|
|
37 15D 0 0.47991 0.66618 0.75242 0.56194 -0.04306
|
|
38 15D+1 0.29994 0.45337 1.12825 0.48832 0.24818
|
|
39 15D-1 0.44739 0.32671 -0.11399 0.67895 0.18531
|
|
40 15D+2 -0.41998 -0.01469 1.63580 1.16040 -0.05464
|
|
41 15D-2 0.35866 -0.26190 -1.31680 -0.20638 -1.04871
|
|
42 16F 0 0.00424 -0.00083 -0.00241 0.01102 0.00039
|
|
43 16F+1 -0.00277 -0.00615 0.00383 0.00821 -0.00348
|
|
44 16F-1 -0.00007 -0.00040 -0.00930 -0.00406 0.00004
|
|
45 16F+2 0.00414 -0.00218 -0.00124 0.00217 0.00651
|
|
46 16F-2 -0.00105 -0.00563 -0.00114 -0.01009 -0.00815
|
|
47 16F+3 0.00554 0.00191 -0.00523 -0.00167 -0.01285
|
|
48 16F-3 0.00843 -0.00509 -0.00955 -0.00275 -0.00217
|
|
49 17F 0 -0.02162 0.02729 0.03036 -0.05064 -0.00569
|
|
50 17F+1 0.05376 0.07030 -0.01376 -0.06319 0.01006
|
|
51 17F-1 0.00721 0.01564 0.05431 0.02943 0.00778
|
|
52 17F+2 -0.00840 0.00057 0.01737 -0.04125 -0.05564
|
|
53 17F-2 0.02048 0.02986 -0.02684 0.05329 0.06628
|
|
54 17F+3 -0.04613 -0.04688 0.04204 -0.01915 0.06154
|
|
55 17F-3 -0.04919 0.02459 0.03198 0.02394 0.03295
|
|
56 18F 0 0.14541 0.04035 0.05458 0.02876 -0.04397
|
|
57 18F+1 0.13540 0.13217 -0.00802 -0.09500 -0.12980
|
|
58 18F-1 0.21299 -0.00755 -0.47144 -0.38094 0.08808
|
|
59 18F+2 0.06409 0.07735 0.30000 0.20434 0.03472
|
|
60 18F-2 0.12692 -0.11902 -0.18208 -0.10655 -0.10461
|
|
61 18F+3 0.18416 -0.15762 -0.18735 -0.16557 -0.71221
|
|
62 18F-3 0.24447 -0.26833 -0.19403 -0.17516 0.08659
|
|
63 19G 0 -0.00386 0.00287 -0.00559 0.00333 -0.00413
|
|
64 19G+1 0.00600 0.00031 0.00011 0.01014 -0.01190
|
|
65 19G-1 -0.00687 0.00720 -0.00468 -0.00168 0.01002
|
|
66 19G+2 0.00350 0.00455 0.00272 0.00023 0.00554
|
|
67 19G-2 0.00146 0.00356 -0.00357 -0.00783 0.00564
|
|
68 19G+3 -0.00201 -0.00738 -0.00116 -0.00369 -0.00392
|
|
69 19G-3 0.00096 0.00431 0.00301 0.00149 -0.00868
|
|
70 19G+4 -0.00256 -0.00254 0.00772 0.00889 -0.00854
|
|
71 19G-4 -0.00372 0.00094 -0.01022 0.00470 0.00277
|
|
72 20G 0 0.02270 -0.02981 0.07686 -0.01353 0.02151
|
|
73 20G+1 -0.04044 -0.00563 -0.00828 -0.12069 0.11068
|
|
74 20G-1 0.06284 -0.05675 0.02851 0.00289 -0.06129
|
|
75 20G+2 -0.03415 -0.02625 -0.02104 -0.04235 -0.04402
|
|
76 20G-2 -0.00423 -0.02283 0.02029 0.04969 -0.03505
|
|
77 20G+3 0.01663 0.05725 0.00749 0.01232 0.04199
|
|
78 20G-3 0.00500 -0.01996 -0.00346 0.00240 0.07881
|
|
79 20G+4 0.00643 0.01064 -0.03269 -0.08268 0.05027
|
|
80 20G-4 0.03258 -0.00716 0.09976 -0.03592 -0.02133
|
|
81 21H 0 0.01150 0.01027 0.00782 0.00379 -0.00492
|
|
82 21H+1 0.00443 -0.00253 0.00435 -0.00096 -0.00222
|
|
83 21H-1 0.00000 0.00198 0.00159 0.00256 -0.00069
|
|
84 21H+2 -0.01178 -0.01777 -0.00548 -0.00571 0.00084
|
|
85 21H-2 -0.00326 -0.00731 -0.00931 -0.00496 0.00259
|
|
86 21H+3 -0.00463 -0.00386 -0.00610 0.00031 0.00715
|
|
87 21H-3 -0.00897 -0.00566 0.00480 -0.00130 -0.00584
|
|
88 21H+4 0.00878 0.00319 -0.01257 -0.00192 0.00828
|
|
89 21H-4 0.00035 0.00021 0.01107 0.00160 -0.00534
|
|
90 21H+5 0.00842 0.00457 -0.00180 -0.00065 0.00560
|
|
91 21H-5 0.00353 0.00356 0.01629 0.00544 -0.01014
|
|
92 2 O 1S -0.00165 0.00084 0.01292 0.00480 0.00253
|
|
93 2S -0.00094 -0.00990 0.00244 -0.02443 -0.00802
|
|
94 3S -0.03639 -0.04516 0.18790 -0.06932 0.00354
|
|
95 4S 0.16241 0.12005 -1.35654 -0.08823 -0.10912
|
|
96 5S 0.63302 0.53704 2.85825 2.66979 -0.31652
|
|
97 6S -0.23955 0.32431 0.47367 2.66720 -0.40188
|
|
98 7PX -0.03676 0.04672 -0.00926 0.01251 0.00533
|
|
99 7PY 0.02452 0.00333 -0.03647 0.00432 0.03989
|
|
100 7PZ -0.05975 0.05544 -0.02704 0.00263 0.00906
|
|
101 8PX -0.37519 0.45897 -0.09559 0.14740 -0.08089
|
|
102 8PY 0.28416 -0.01738 -0.56793 0.03791 0.44472
|
|
103 8PZ -0.63403 0.60582 -0.25643 -0.06063 0.02856
|
|
104 9PX 0.52502 -1.34547 0.76606 -1.14035 0.58393
|
|
105 9PY -0.80722 0.01787 1.76979 -0.49559 -1.13875
|
|
106 9PZ 1.66064 -1.25246 0.22724 0.83265 -0.05663
|
|
107 10PX 0.33739 0.14787 -3.37295 1.05641 -1.64487
|
|
108 10PY -0.28348 0.84794 -1.00401 3.73080 -0.24650
|
|
109 10PZ 0.26266 -0.27525 1.20034 0.36560 0.05237
|
|
110 11PX 0.24524 -0.12750 -0.20211 0.09134 -0.05897
|
|
111 11PY -0.20641 0.07921 -0.01776 0.40549 -0.16040
|
|
112 11PZ 0.16827 -0.31300 0.17786 0.09346 -0.09259
|
|
113 12D 0 -0.00143 0.00092 -0.00495 0.00309 0.00230
|
|
114 12D+1 0.00485 0.00182 -0.00348 0.00263 -0.00334
|
|
115 12D-1 -0.00012 0.00066 -0.00259 -0.00325 -0.00360
|
|
116 12D+2 -0.00256 -0.00594 0.00433 -0.01828 -0.00075
|
|
117 12D-2 0.00230 -0.00410 0.01351 -0.00822 -0.00255
|
|
118 13D 0 -0.00399 -0.00015 0.03605 -0.03811 -0.02101
|
|
119 13D+1 -0.01839 -0.01377 -0.00325 -0.00794 0.00687
|
|
120 13D-1 -0.00849 -0.00990 0.00761 -0.00223 -0.00337
|
|
121 13D+2 0.00644 0.01368 0.01408 0.05223 -0.01446
|
|
122 13D-2 0.00386 0.03256 -0.04396 0.03992 -0.03556
|
|
123 14D 0 0.29468 -0.29097 -0.22699 0.26499 0.09719
|
|
124 14D+1 -0.15198 0.08818 -0.01985 -0.39771 -0.04189
|
|
125 14D-1 -0.14142 0.04599 0.01774 -0.17860 -0.24929
|
|
126 14D+2 -0.05418 0.12233 -0.12518 -0.26695 -0.07478
|
|
127 14D-2 0.21465 -0.10389 0.35274 -0.23048 0.16369
|
|
128 15D 0 0.47991 -0.66618 0.75242 -0.56194 -0.04306
|
|
129 15D+1 -0.29994 0.45337 -1.12825 0.48832 -0.24818
|
|
130 15D-1 -0.44739 0.32671 0.11399 0.67895 -0.18531
|
|
131 15D+2 -0.41998 0.01469 1.63580 -1.16040 -0.05464
|
|
132 15D-2 0.35866 0.26190 -1.31680 0.20638 -1.04871
|
|
133 16F 0 0.00424 0.00083 -0.00241 -0.01102 0.00039
|
|
134 16F+1 0.00277 -0.00615 -0.00383 0.00821 0.00348
|
|
135 16F-1 0.00007 -0.00040 0.00930 -0.00406 -0.00004
|
|
136 16F+2 0.00414 0.00218 -0.00124 -0.00217 0.00651
|
|
137 16F-2 -0.00105 0.00563 -0.00114 0.01009 -0.00815
|
|
138 16F+3 -0.00554 0.00191 0.00523 -0.00167 0.01285
|
|
139 16F-3 -0.00843 -0.00509 0.00955 -0.00275 0.00217
|
|
140 17F 0 -0.02162 -0.02729 0.03036 0.05064 -0.00569
|
|
141 17F+1 -0.05376 0.07030 0.01376 -0.06319 -0.01006
|
|
142 17F-1 -0.00721 0.01564 -0.05431 0.02943 -0.00778
|
|
143 17F+2 -0.00840 -0.00057 0.01737 0.04125 -0.05564
|
|
144 17F-2 0.02048 -0.02986 -0.02684 -0.05329 0.06628
|
|
145 17F+3 0.04613 -0.04688 -0.04204 -0.01915 -0.06154
|
|
146 17F-3 0.04919 0.02459 -0.03198 0.02394 -0.03295
|
|
147 18F 0 0.14541 -0.04035 0.05458 -0.02876 -0.04397
|
|
148 18F+1 -0.13540 0.13217 0.00802 -0.09500 0.12980
|
|
149 18F-1 -0.21299 -0.00755 0.47144 -0.38094 -0.08808
|
|
150 18F+2 0.06409 -0.07735 0.30000 -0.20434 0.03472
|
|
151 18F-2 0.12692 0.11902 -0.18208 0.10655 -0.10461
|
|
152 18F+3 -0.18416 -0.15762 0.18735 -0.16557 0.71221
|
|
153 18F-3 -0.24447 -0.26833 0.19403 -0.17516 -0.08659
|
|
154 19G 0 -0.00386 -0.00287 -0.00559 -0.00333 -0.00413
|
|
155 19G+1 -0.00600 0.00031 -0.00011 0.01014 0.01190
|
|
156 19G-1 0.00687 0.00720 0.00468 -0.00168 -0.01002
|
|
157 19G+2 0.00350 -0.00455 0.00272 -0.00023 0.00554
|
|
158 19G-2 0.00146 -0.00356 -0.00357 0.00783 0.00564
|
|
159 19G+3 0.00201 -0.00738 0.00116 -0.00369 0.00392
|
|
160 19G-3 -0.00096 0.00431 -0.00301 0.00149 0.00868
|
|
161 19G+4 -0.00256 0.00254 0.00772 -0.00889 -0.00854
|
|
162 19G-4 -0.00372 -0.00094 -0.01022 -0.00470 0.00277
|
|
163 20G 0 0.02270 0.02981 0.07686 0.01353 0.02151
|
|
164 20G+1 0.04044 -0.00563 0.00828 -0.12069 -0.11068
|
|
165 20G-1 -0.06284 -0.05675 -0.02851 0.00289 0.06129
|
|
166 20G+2 -0.03415 0.02625 -0.02104 0.04235 -0.04402
|
|
167 20G-2 -0.00423 0.02283 0.02029 -0.04969 -0.03505
|
|
168 20G+3 -0.01663 0.05725 -0.00749 0.01232 -0.04199
|
|
169 20G-3 -0.00500 -0.01996 0.00346 0.00240 -0.07881
|
|
170 20G+4 0.00643 -0.01064 -0.03269 0.08268 0.05027
|
|
171 20G-4 0.03258 0.00716 0.09976 0.03592 -0.02133
|
|
172 21H 0 0.01150 -0.01027 0.00782 -0.00379 -0.00492
|
|
173 21H+1 -0.00443 -0.00253 -0.00435 -0.00096 0.00222
|
|
174 21H-1 0.00000 0.00198 -0.00159 0.00256 0.00069
|
|
175 21H+2 -0.01178 0.01777 -0.00548 0.00571 0.00084
|
|
176 21H-2 -0.00326 0.00731 -0.00931 0.00496 0.00259
|
|
177 21H+3 0.00463 -0.00386 0.00610 0.00031 -0.00715
|
|
178 21H-3 0.00897 -0.00566 -0.00480 -0.00130 0.00584
|
|
179 21H+4 0.00878 -0.00319 -0.01257 0.00192 0.00828
|
|
180 21H-4 0.00035 -0.00021 0.01107 -0.00160 -0.00534
|
|
181 21H+5 -0.00842 0.00457 0.00180 -0.00065 -0.00560
|
|
182 21H-5 -0.00353 0.00356 -0.01629 0.00544 0.01014
|
|
183 3 H 1S -0.00186 0.00564 -0.00083 0.01483 -0.00633
|
|
184 2S 0.00086 -0.01962 -0.03024 -0.23278 0.19023
|
|
185 3S -0.84161 0.11014 -3.09808 0.50920 -1.03471
|
|
186 4S 0.43663 -0.47326 -0.00577 -0.26939 1.25844
|
|
187 5S -0.07519 0.06569 -0.02794 0.01569 -0.11302
|
|
188 6PX -0.00092 -0.00435 -0.00160 0.00780 -0.00399
|
|
189 6PY 0.00560 -0.00077 0.03072 -0.02143 0.00219
|
|
190 6PZ 0.00542 -0.00683 0.00501 -0.00614 0.00223
|
|
191 7PX -0.01529 0.05515 0.01616 0.02146 0.02002
|
|
192 7PY -0.04379 0.01748 -0.22005 0.18709 -0.00590
|
|
193 7PZ -0.05894 0.06519 -0.04983 0.06129 -0.00928
|
|
194 8PX 0.84441 0.07234 0.44154 -0.91535 0.21292
|
|
195 8PY -0.23040 0.03971 0.80998 -0.51444 0.00402
|
|
196 8PZ -0.06815 -0.68315 0.41212 -0.29450 0.02871
|
|
197 9PX 0.52309 0.66550 -0.01108 -0.37214 -0.40172
|
|
198 9PY -0.58286 0.13457 0.18204 0.29974 -0.91255
|
|
199 9PZ -0.71267 -0.70878 -0.31517 0.09708 -0.26275
|
|
200 10D 0 0.08650 0.08501 -0.02625 0.10032 -0.10487
|
|
201 10D+1 0.02526 0.02216 0.07343 -0.06280 0.04658
|
|
202 10D-1 0.01226 0.04261 -0.05524 -0.07453 0.03582
|
|
203 10D+2 -0.03216 -0.03967 -0.06980 0.05215 -0.10490
|
|
204 10D-2 0.03084 -0.02400 -0.07711 0.07533 0.02587
|
|
205 11D 0 -0.61402 -0.61232 0.13176 -0.65701 0.69660
|
|
206 11D+1 -0.20582 -0.20470 -0.53139 0.38347 -0.31734
|
|
207 11D-1 -0.11232 -0.30483 0.38155 0.46980 -0.26250
|
|
208 11D+2 0.25202 0.27972 0.41937 -0.32816 0.67977
|
|
209 11D-2 -0.20313 0.13114 0.55217 -0.47564 -0.21958
|
|
210 12D 0 1.05241 1.36334 -0.26947 0.18057 -0.48798
|
|
211 12D+1 0.24988 0.67553 0.89721 0.18693 0.32362
|
|
212 12D-1 0.37931 0.37874 -0.18948 -0.17328 0.58620
|
|
213 12D+2 -1.11690 -0.41238 -0.25047 1.22825 -0.64675
|
|
214 12D-2 0.37597 -0.07861 -0.70801 0.70650 0.78562
|
|
215 13F 0 0.01097 0.01676 -0.02993 0.00543 -0.00180
|
|
216 13F+1 0.04826 0.05214 0.01805 -0.00609 0.00156
|
|
217 13F-1 0.00990 0.01943 -0.00004 0.01796 -0.01225
|
|
218 13F+2 -0.00572 0.00521 0.01955 0.02250 -0.00079
|
|
219 13F-2 0.00612 0.02141 0.01080 -0.00025 0.03351
|
|
220 13F+3 -0.04449 -0.01176 0.00177 0.02216 -0.00794
|
|
221 13F-3 0.00177 0.01245 -0.04045 0.02434 0.01667
|
|
222 14F 0 -0.14741 -0.16834 0.38422 0.06804 0.05630
|
|
223 14F+1 -0.48974 -0.62657 -0.09839 0.21185 -0.03614
|
|
224 14F-1 -0.08761 -0.21584 -0.03181 -0.14918 0.12132
|
|
225 14F+2 0.15054 -0.07782 -0.22068 -0.36184 0.07931
|
|
226 14F-2 -0.04838 -0.26283 -0.16272 -0.15274 -0.44725
|
|
227 14F+3 0.54446 0.12184 -0.08175 -0.37183 0.17134
|
|
228 14F-3 0.00422 -0.11630 0.32363 -0.50682 -0.14410
|
|
229 15G 0 -0.00666 -0.00978 -0.00705 0.00581 -0.00741
|
|
230 15G+1 0.01479 0.01661 -0.01161 -0.01016 -0.00335
|
|
231 15G-1 -0.00009 0.00336 0.00198 -0.00516 -0.00139
|
|
232 15G+2 0.00958 0.01433 0.00350 -0.00406 -0.00508
|
|
233 15G-2 0.00547 0.01145 0.00290 -0.00074 0.00624
|
|
234 15G+3 -0.01302 -0.00132 0.00476 0.00888 -0.00647
|
|
235 15G-3 0.00163 0.00756 0.00188 0.01665 0.01120
|
|
236 15G+4 -0.01444 -0.00463 0.00133 0.01071 -0.01226
|
|
237 15G-4 -0.00482 -0.00086 -0.00229 0.02033 0.00105
|
|
238 4 H 1S -0.00186 -0.00564 -0.00083 -0.01483 -0.00633
|
|
239 2S 0.00086 0.01962 -0.03024 0.23278 0.19023
|
|
240 3S -0.84161 -0.11014 -3.09808 -0.50920 -1.03471
|
|
241 4S 0.43663 0.47326 -0.00577 0.26939 1.25844
|
|
242 5S -0.07519 -0.06569 -0.02794 -0.01569 -0.11302
|
|
243 6PX 0.00092 -0.00435 0.00160 0.00780 0.00399
|
|
244 6PY -0.00560 -0.00077 -0.03072 -0.02143 -0.00219
|
|
245 6PZ 0.00542 0.00683 0.00501 0.00614 0.00223
|
|
246 7PX 0.01529 0.05515 -0.01616 0.02146 -0.02002
|
|
247 7PY 0.04379 0.01748 0.22005 0.18709 0.00590
|
|
248 7PZ -0.05894 -0.06519 -0.04983 -0.06129 -0.00928
|
|
249 8PX -0.84441 0.07234 -0.44154 -0.91535 -0.21292
|
|
250 8PY 0.23040 0.03971 -0.80998 -0.51444 -0.00402
|
|
251 8PZ -0.06815 0.68315 0.41212 0.29450 0.02871
|
|
252 9PX -0.52309 0.66550 0.01108 -0.37214 0.40172
|
|
253 9PY 0.58286 0.13457 -0.18204 0.29974 0.91255
|
|
254 9PZ -0.71267 0.70878 -0.31517 -0.09708 -0.26275
|
|
255 10D 0 0.08650 -0.08501 -0.02625 -0.10032 -0.10487
|
|
256 10D+1 -0.02526 0.02216 -0.07343 -0.06280 -0.04658
|
|
257 10D-1 -0.01226 0.04261 0.05524 -0.07453 -0.03582
|
|
258 10D+2 -0.03216 0.03967 -0.06980 -0.05215 -0.10490
|
|
259 10D-2 0.03084 0.02400 -0.07711 -0.07533 0.02587
|
|
260 11D 0 -0.61402 0.61232 0.13176 0.65701 0.69660
|
|
261 11D+1 0.20582 -0.20470 0.53139 0.38347 0.31734
|
|
262 11D-1 0.11232 -0.30483 -0.38155 0.46980 0.26250
|
|
263 11D+2 0.25202 -0.27972 0.41937 0.32816 0.67977
|
|
264 11D-2 -0.20313 -0.13114 0.55217 0.47564 -0.21958
|
|
265 12D 0 1.05241 -1.36334 -0.26947 -0.18057 -0.48798
|
|
266 12D+1 -0.24988 0.67553 -0.89721 0.18693 -0.32362
|
|
267 12D-1 -0.37931 0.37874 0.18948 -0.17328 -0.58620
|
|
268 12D+2 -1.11690 0.41238 -0.25047 -1.22825 -0.64675
|
|
269 12D-2 0.37597 0.07861 -0.70801 -0.70650 0.78562
|
|
270 13F 0 0.01097 -0.01676 -0.02993 -0.00543 -0.00180
|
|
271 13F+1 -0.04826 0.05214 -0.01805 -0.00609 -0.00156
|
|
272 13F-1 -0.00990 0.01943 0.00004 0.01796 0.01225
|
|
273 13F+2 -0.00572 -0.00521 0.01955 -0.02250 -0.00079
|
|
274 13F-2 0.00612 -0.02141 0.01080 0.00025 0.03351
|
|
275 13F+3 0.04449 -0.01176 -0.00177 0.02216 0.00794
|
|
276 13F-3 -0.00177 0.01245 0.04045 0.02434 -0.01667
|
|
277 14F 0 -0.14741 0.16834 0.38422 -0.06804 0.05630
|
|
278 14F+1 0.48974 -0.62657 0.09839 0.21185 0.03614
|
|
279 14F-1 0.08761 -0.21584 0.03181 -0.14918 -0.12132
|
|
280 14F+2 0.15054 0.07782 -0.22068 0.36184 0.07931
|
|
281 14F-2 -0.04838 0.26283 -0.16272 0.15274 -0.44725
|
|
282 14F+3 -0.54446 0.12184 0.08175 -0.37183 -0.17134
|
|
283 14F-3 -0.00422 -0.11630 -0.32363 -0.50682 0.14410
|
|
284 15G 0 -0.00666 0.00978 -0.00705 -0.00581 -0.00741
|
|
285 15G+1 -0.01479 0.01661 0.01161 -0.01016 0.00335
|
|
286 15G-1 0.00009 0.00336 -0.00198 -0.00516 0.00139
|
|
287 15G+2 0.00958 -0.01433 0.00350 0.00406 -0.00508
|
|
288 15G-2 0.00547 -0.01145 0.00290 0.00074 0.00624
|
|
289 15G+3 0.01302 -0.00132 -0.00476 0.00888 0.00647
|
|
290 15G-3 -0.00163 0.00756 -0.00188 0.01665 -0.01120
|
|
291 15G+4 -0.01444 0.00463 0.00133 -0.01071 -0.01226
|
|
292 15G-4 -0.00482 0.00086 -0.00229 -0.02033 0.00105
|
|
111 112 113 114 115
|
|
V V V V V
|
|
Eigenvalues -- 5.40359 5.51196 5.61393 5.70066 5.71282
|
|
1 1 O 1S 0.03228 -0.00410 0.00116 0.02724 0.00619
|
|
2 2S -0.00325 0.00402 -0.01335 -0.04491 -0.01960
|
|
3 3S 0.39113 -0.02911 -0.04992 0.09598 -0.02957
|
|
4 4S -2.37908 0.32898 -0.03213 -1.20958 -0.21038
|
|
5 5S 0.94742 -1.01099 1.74982 4.70693 2.41026
|
|
6 6S 2.87659 0.21142 1.04430 3.53514 1.34328
|
|
7 7PX 0.03384 -0.01782 -0.01959 -0.06815 -0.01611
|
|
8 7PY 0.02141 -0.07800 0.01444 -0.03904 -0.00718
|
|
9 7PZ 0.01417 -0.01806 0.02210 -0.04711 -0.03492
|
|
10 8PX 0.10365 -0.14382 -0.28540 -0.42300 -0.11975
|
|
11 8PY -0.13637 -0.47300 0.13801 -0.22624 -0.05443
|
|
12 8PZ 0.12895 -0.00084 0.21953 -0.33277 -0.33215
|
|
13 9PX -0.88246 0.12694 1.05081 1.21398 0.76527
|
|
14 9PY 0.89932 0.75082 -0.22968 0.59058 0.17905
|
|
15 9PZ -1.07285 -0.32352 -0.11630 0.95528 0.94823
|
|
16 10PX 1.44541 1.52295 -0.14801 1.11986 1.58312
|
|
17 10PY -1.02398 2.68154 -0.53637 -2.68670 -0.17370
|
|
18 10PZ 1.80636 1.34058 1.14412 0.75464 -0.22057
|
|
19 11PX -0.07063 0.15761 0.24039 0.43460 0.18614
|
|
20 11PY -0.57516 0.30228 -0.00802 0.00223 0.05513
|
|
21 11PZ 0.04550 0.16471 -0.12391 0.33764 0.13298
|
|
22 12D 0 -0.01583 0.00209 -0.00916 -0.00404 0.00780
|
|
23 12D+1 0.00757 -0.00072 -0.00636 -0.01290 -0.00253
|
|
24 12D-1 0.00799 -0.00566 -0.00378 -0.00062 0.00204
|
|
25 12D+2 -0.00441 0.01120 0.00575 -0.01477 -0.00990
|
|
26 12D-2 0.02539 -0.00949 -0.00274 0.00152 -0.00473
|
|
27 13D 0 0.04884 0.03436 0.01906 0.01957 -0.04477
|
|
28 13D+1 -0.06071 0.01887 0.02755 0.13326 0.03955
|
|
29 13D-1 -0.07705 0.01485 0.02331 0.02933 0.00112
|
|
30 13D+2 -0.03518 0.05452 -0.03664 0.13130 0.05728
|
|
31 13D-2 -0.11508 0.08245 0.02625 0.01538 0.04453
|
|
32 14D 0 -0.58683 0.10990 -0.16235 -0.07088 0.05615
|
|
33 14D+1 -0.12164 -0.10966 0.14587 0.07700 0.24005
|
|
34 14D-1 0.48898 -0.15456 -0.05383 -0.02046 0.03122
|
|
35 14D+2 -0.33524 0.48515 0.24938 -0.01406 0.15161
|
|
36 14D-2 1.11439 -0.24324 -0.12176 0.03435 -0.08125
|
|
37 15D 0 -0.40006 0.39984 0.36375 -0.25352 -0.59859
|
|
38 15D+1 0.72787 0.56609 0.16893 0.42488 -0.05786
|
|
39 15D-1 -0.52333 -0.13352 -0.02576 -0.29688 0.09576
|
|
40 15D+2 -0.15105 1.69746 -0.30037 -0.46579 0.50796
|
|
41 15D-2 0.26388 0.39131 -0.09216 -0.54322 -0.20708
|
|
42 16F 0 0.00089 -0.00725 -0.00525 -0.00412 0.00359
|
|
43 16F+1 0.00012 0.00670 -0.02763 -0.00221 0.02151
|
|
44 16F-1 -0.00228 -0.01195 -0.00177 -0.00338 0.01571
|
|
45 16F+2 -0.00589 0.00053 0.00089 0.00518 -0.00338
|
|
46 16F-2 -0.01410 0.01154 -0.00437 0.01483 0.01135
|
|
47 16F+3 -0.00619 0.01782 0.01215 -0.00888 -0.00803
|
|
48 16F-3 -0.01432 -0.01451 0.01049 0.00890 -0.00039
|
|
49 17F 0 0.02214 0.03354 0.03794 0.00151 -0.05213
|
|
50 17F+1 -0.01060 -0.04104 0.24277 0.04112 -0.16677
|
|
51 17F-1 -0.00200 0.07826 0.02727 0.01845 -0.11245
|
|
52 17F+2 0.00258 -0.01786 0.01004 0.03053 0.06890
|
|
53 17F-2 0.06130 -0.03630 0.04574 -0.10852 -0.07483
|
|
54 17F+3 0.01123 -0.13071 -0.08925 0.10621 0.09514
|
|
55 17F-3 0.06165 0.11551 -0.07685 -0.06170 0.01068
|
|
56 18F 0 -0.51931 -0.13660 0.00757 0.08778 -0.10646
|
|
57 18F+1 -0.05396 0.05242 -0.00131 0.00063 -0.03549
|
|
58 18F-1 0.11303 -0.31408 0.08779 0.05673 0.31099
|
|
59 18F+2 -0.23707 0.13738 0.01895 -0.02498 0.02052
|
|
60 18F-2 0.25582 -0.05322 0.02829 -0.22700 0.19059
|
|
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292 15G-4 -0.02596 -0.00033 0.00934 0.01369 0.00002
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|
116 117 118 119 120
|
|
V V V V V
|
|
Eigenvalues -- 5.76155 5.86324 5.98559 6.10368 6.19816
|
|
1 1 O 1S 0.03484 -0.03196 0.01110 -0.00071 -0.01276
|
|
2 2S -0.06610 0.06442 -0.03567 -0.01337 -0.00582
|
|
3 3S 0.09027 -0.08858 -0.02738 -0.10818 -0.15327
|
|
4 4S -1.37355 1.81110 -0.30111 0.86151 0.63367
|
|
5 5S 5.01987 -6.53429 1.58390 -2.48808 -0.67768
|
|
6 6S 3.45531 -3.35649 0.89658 -1.53755 -0.52012
|
|
7 7PX -0.08862 0.03408 -0.01427 -0.01445 0.02577
|
|
8 7PY -0.00703 -0.06663 0.01244 -0.01652 0.00365
|
|
9 7PZ -0.04210 0.03162 -0.01681 -0.01519 0.02625
|
|
10 8PX -0.59273 0.45208 -0.02801 0.06285 -0.04154
|
|
11 8PY 0.05545 -0.35187 0.14899 -0.25603 0.24953
|
|
12 8PZ -0.21744 0.34218 -0.17354 0.10177 0.14989
|
|
13 9PX 1.37126 -1.65192 0.10767 -0.12322 0.58953
|
|
14 9PY -0.26566 0.32598 -0.48640 0.78397 -0.84390
|
|
15 9PZ 0.54757 -1.14344 0.43724 -0.39041 -0.14386
|
|
16 10PX 1.86470 -3.69712 1.03031 -1.51893 0.81656
|
|
17 10PY 0.94692 -2.41449 0.40083 -0.59611 -1.09012
|
|
18 10PZ 2.12207 -2.02472 0.25408 -1.84054 0.28287
|
|
19 11PX 0.61458 -0.37575 0.13209 -0.24128 0.02748
|
|
20 11PY 0.11768 -0.00047 0.06978 -0.03889 0.08108
|
|
21 11PZ 0.33025 -0.26260 0.07519 -0.10627 -0.00287
|
|
22 12D 0 -0.00084 -0.00218 0.01118 -0.00249 0.00215
|
|
23 12D+1 -0.00942 0.00301 0.00078 -0.01202 0.00458
|
|
24 12D-1 -0.00341 -0.00303 -0.00108 -0.01215 -0.00915
|
|
25 12D+2 -0.00080 0.00026 0.00467 -0.00438 0.01474
|
|
26 12D-2 -0.00346 -0.00241 -0.00531 -0.00097 -0.00858
|
|
27 13D 0 -0.00655 0.05331 -0.01747 0.00294 0.01925
|
|
28 13D+1 0.13436 -0.06888 0.02741 0.06487 -0.05691
|
|
29 13D-1 0.04333 0.00567 0.02368 0.01545 0.05776
|
|
30 13D+2 0.08343 0.04346 -0.02347 0.01283 -0.03947
|
|
31 13D-2 0.04896 -0.02193 0.01644 0.00049 0.04655
|
|
32 14D 0 -0.05409 0.15615 0.25153 -0.24673 0.02999
|
|
33 14D+1 0.07720 -0.59628 0.10349 -0.55911 0.33743
|
|
34 14D-1 -0.05619 -0.33278 -0.11006 -0.21150 -0.57967
|
|
35 14D+2 0.09644 -0.26092 0.01331 -0.09860 1.00441
|
|
36 14D-2 -0.08226 -0.46130 -0.24676 0.01932 -0.86998
|
|
37 15D 0 0.25853 0.15065 -0.13500 -0.57548 0.18268
|
|
38 15D+1 1.00008 -1.06438 0.27179 -1.01941 0.36006
|
|
39 15D-1 0.25536 -0.68793 0.11288 -0.09918 -0.82027
|
|
40 15D+2 0.57039 -1.11731 0.42047 -0.81202 1.31519
|
|
41 15D-2 0.63479 -0.87547 0.10003 -0.03649 -1.11176
|
|
42 16F 0 -0.00531 -0.00375 0.00982 -0.03430 0.00889
|
|
43 16F+1 -0.00809 -0.01268 0.01348 0.01944 0.00941
|
|
44 16F-1 0.00035 -0.01490 -0.02526 -0.00634 0.00263
|
|
45 16F+2 0.01777 -0.00028 0.01047 -0.03151 -0.01865
|
|
46 16F-2 0.00083 0.02846 0.00445 -0.00386 0.00710
|
|
47 16F+3 0.00941 -0.01976 -0.00316 0.00039 0.01129
|
|
48 16F-3 0.00030 -0.00349 0.00166 0.00279 0.01912
|
|
49 17F 0 0.00426 0.06367 -0.08731 0.25637 -0.06788
|
|
50 17F+1 0.09447 0.07940 -0.12286 -0.12399 -0.07392
|
|
51 17F-1 0.01241 0.10027 0.19136 0.05919 -0.01178
|
|
52 17F+2 -0.06950 -0.03744 -0.06910 0.29074 0.11068
|
|
53 17F-2 0.03726 -0.22940 -0.02006 0.04674 -0.03248
|
|
54 17F+3 -0.04974 0.12790 0.02429 0.02222 -0.12599
|
|
55 17F-3 0.03163 -0.00122 0.03117 -0.00669 -0.12616
|
|
56 18F 0 -0.02036 0.09082 0.11761 -0.13179 0.14315
|
|
57 18F+1 0.07291 -0.09811 0.15878 -0.47336 0.08832
|
|
58 18F-1 -0.09488 -0.21994 -0.11296 -0.12099 -0.21624
|
|
59 18F+2 0.11333 -0.33064 0.19851 -0.56227 0.64961
|
|
60 18F-2 -0.06643 -0.28641 -0.11465 0.00108 -0.75576
|
|
61 18F+3 0.16686 -0.32645 0.01846 -0.39244 0.90920
|
|
62 18F-3 -0.08179 -0.36956 -0.14022 0.21831 -0.78501
|
|
63 19G 0 0.00486 0.00345 -0.04293 -0.01878 -0.00400
|
|
64 19G+1 -0.00561 0.00889 0.01786 0.00349 -0.01043
|
|
65 19G-1 0.00187 -0.01167 -0.01667 0.04768 -0.00663
|
|
66 19G+2 0.00490 -0.01731 -0.02408 -0.00158 0.00949
|
|
67 19G-2 0.00910 0.01651 -0.00311 -0.01654 -0.01482
|
|
68 19G+3 0.01077 0.01268 -0.00553 0.00018 -0.05107
|
|
69 19G-3 -0.00272 0.00207 -0.00085 0.01126 0.01250
|
|
70 19G+4 0.00252 -0.01172 0.02503 0.01295 0.00232
|
|
71 19G-4 0.01452 0.01061 0.00771 0.00424 -0.01228
|
|
72 20G 0 -0.02966 -0.00632 0.40601 0.21506 0.02848
|
|
73 20G+1 0.07328 -0.03604 -0.14394 -0.06220 0.06756
|
|
74 20G-1 -0.00132 0.11924 0.17479 -0.49713 0.08618
|
|
75 20G+2 -0.04138 0.15474 0.23993 -0.04478 -0.03610
|
|
76 20G-2 -0.07899 -0.18375 0.01680 0.11919 0.08406
|
|
77 20G+3 -0.10901 -0.11262 0.04940 -0.02573 0.63846
|
|
78 20G-3 0.00793 -0.10803 0.00264 -0.16674 -0.23824
|
|
79 20G+4 -0.02773 0.12599 -0.21229 -0.13374 0.11474
|
|
80 20G-4 -0.13464 -0.18361 -0.07947 -0.03395 0.09938
|
|
81 21H 0 0.00112 -0.00072 -0.00369 0.00629 -0.00029
|
|
82 21H+1 0.01175 -0.00556 0.00267 0.00675 -0.00143
|
|
83 21H-1 0.00595 0.00305 -0.00242 -0.00523 0.00887
|
|
84 21H+2 0.00064 0.00215 0.00928 -0.01176 -0.00519
|
|
85 21H-2 0.00129 0.00211 0.00316 -0.00533 -0.00226
|
|
86 21H+3 -0.01276 0.00352 0.00371 -0.01495 0.02442
|
|
87 21H-3 -0.00966 -0.00323 -0.00581 -0.01171 -0.01698
|
|
88 21H+4 -0.00543 0.00613 0.00088 -0.00955 0.03922
|
|
89 21H-4 -0.01305 -0.00218 -0.00984 -0.00092 -0.02784
|
|
90 21H+5 -0.00655 0.00275 -0.00125 -0.00490 0.03393
|
|
91 21H-5 -0.00715 -0.00254 0.00120 0.00015 -0.00436
|
|
92 2 O 1S 0.03484 0.03196 0.01110 -0.00071 0.01276
|
|
93 2S -0.06610 -0.06442 -0.03567 -0.01337 0.00582
|
|
94 3S 0.09027 0.08858 -0.02738 -0.10818 0.15327
|
|
95 4S -1.37355 -1.81110 -0.30111 0.86151 -0.63367
|
|
96 5S 5.01987 6.53429 1.58390 -2.48808 0.67768
|
|
97 6S 3.45531 3.35649 0.89658 -1.53755 0.52012
|
|
98 7PX 0.08862 0.03408 0.01427 0.01445 0.02577
|
|
99 7PY 0.00703 -0.06663 -0.01244 0.01652 0.00365
|
|
100 7PZ -0.04210 -0.03162 -0.01681 -0.01519 -0.02625
|
|
101 8PX 0.59273 0.45208 0.02801 -0.06285 -0.04154
|
|
102 8PY -0.05545 -0.35187 -0.14899 0.25603 0.24953
|
|
103 8PZ -0.21744 -0.34218 -0.17354 0.10177 -0.14989
|
|
104 9PX -1.37126 -1.65192 -0.10767 0.12322 0.58953
|
|
105 9PY 0.26566 0.32598 0.48640 -0.78397 -0.84390
|
|
106 9PZ 0.54757 1.14344 0.43724 -0.39041 0.14386
|
|
107 10PX -1.86470 -3.69712 -1.03031 1.51893 0.81656
|
|
108 10PY -0.94692 -2.41449 -0.40083 0.59611 -1.09012
|
|
109 10PZ 2.12207 2.02472 0.25408 -1.84054 -0.28287
|
|
110 11PX -0.61458 -0.37575 -0.13209 0.24128 0.02748
|
|
111 11PY -0.11768 -0.00047 -0.06978 0.03889 0.08108
|
|
112 11PZ 0.33025 0.26260 0.07519 -0.10627 0.00287
|
|
113 12D 0 -0.00084 0.00218 0.01118 -0.00249 -0.00215
|
|
114 12D+1 0.00942 0.00301 -0.00078 0.01202 0.00458
|
|
115 12D-1 0.00341 -0.00303 0.00108 0.01215 -0.00915
|
|
116 12D+2 -0.00080 -0.00026 0.00467 -0.00438 -0.01474
|
|
117 12D-2 -0.00346 0.00241 -0.00531 -0.00097 0.00858
|
|
118 13D 0 -0.00655 -0.05331 -0.01747 0.00294 -0.01925
|
|
119 13D+1 -0.13436 -0.06888 -0.02741 -0.06487 -0.05691
|
|
120 13D-1 -0.04333 0.00567 -0.02368 -0.01545 0.05776
|
|
121 13D+2 0.08343 -0.04346 -0.02347 0.01283 0.03947
|
|
122 13D-2 0.04896 0.02193 0.01644 0.00049 -0.04655
|
|
123 14D 0 -0.05409 -0.15615 0.25153 -0.24673 -0.02999
|
|
124 14D+1 -0.07720 -0.59628 -0.10349 0.55911 0.33743
|
|
125 14D-1 0.05619 -0.33278 0.11006 0.21150 -0.57967
|
|
126 14D+2 0.09644 0.26092 0.01331 -0.09860 -1.00441
|
|
127 14D-2 -0.08226 0.46130 -0.24676 0.01932 0.86998
|
|
128 15D 0 0.25853 -0.15065 -0.13500 -0.57548 -0.18268
|
|
129 15D+1 -1.00008 -1.06438 -0.27179 1.01941 0.36006
|
|
130 15D-1 -0.25536 -0.68793 -0.11288 0.09918 -0.82027
|
|
131 15D+2 0.57039 1.11731 0.42047 -0.81202 -1.31519
|
|
132 15D-2 0.63479 0.87547 0.10003 -0.03649 1.11176
|
|
133 16F 0 -0.00531 0.00375 0.00982 -0.03430 -0.00889
|
|
134 16F+1 0.00809 -0.01268 -0.01348 -0.01944 0.00941
|
|
135 16F-1 -0.00035 -0.01490 0.02526 0.00634 0.00263
|
|
136 16F+2 0.01777 0.00028 0.01047 -0.03151 0.01865
|
|
137 16F-2 0.00083 -0.02846 0.00445 -0.00386 -0.00710
|
|
138 16F+3 -0.00941 -0.01976 0.00316 -0.00039 0.01129
|
|
139 16F-3 -0.00030 -0.00349 -0.00166 -0.00279 0.01912
|
|
140 17F 0 0.00426 -0.06367 -0.08731 0.25637 0.06788
|
|
141 17F+1 -0.09447 0.07940 0.12286 0.12399 -0.07392
|
|
142 17F-1 -0.01241 0.10027 -0.19136 -0.05919 -0.01178
|
|
143 17F+2 -0.06950 0.03744 -0.06910 0.29074 -0.11068
|
|
144 17F-2 0.03726 0.22940 -0.02006 0.04674 0.03248
|
|
145 17F+3 0.04974 0.12790 -0.02429 -0.02222 -0.12599
|
|
146 17F-3 -0.03163 -0.00122 -0.03117 0.00669 -0.12616
|
|
147 18F 0 -0.02036 -0.09082 0.11761 -0.13179 -0.14315
|
|
148 18F+1 -0.07291 -0.09811 -0.15878 0.47336 0.08832
|
|
149 18F-1 0.09488 -0.21994 0.11296 0.12099 -0.21624
|
|
150 18F+2 0.11333 0.33064 0.19851 -0.56227 -0.64961
|
|
151 18F-2 -0.06643 0.28641 -0.11465 0.00108 0.75576
|
|
152 18F+3 -0.16686 -0.32645 -0.01846 0.39244 0.90920
|
|
153 18F-3 0.08179 -0.36956 0.14022 -0.21831 -0.78501
|
|
154 19G 0 0.00486 -0.00345 -0.04293 -0.01878 0.00400
|
|
155 19G+1 0.00561 0.00889 -0.01786 -0.00349 -0.01043
|
|
156 19G-1 -0.00187 -0.01167 0.01667 -0.04768 -0.00663
|
|
157 19G+2 0.00490 0.01731 -0.02408 -0.00158 -0.00949
|
|
158 19G-2 0.00910 -0.01651 -0.00311 -0.01654 0.01482
|
|
159 19G+3 -0.01077 0.01268 0.00553 -0.00018 -0.05107
|
|
160 19G-3 0.00272 0.00207 0.00085 -0.01126 0.01250
|
|
161 19G+4 0.00252 0.01172 0.02503 0.01295 -0.00232
|
|
162 19G-4 0.01452 -0.01061 0.00771 0.00424 0.01228
|
|
163 20G 0 -0.02966 0.00632 0.40601 0.21506 -0.02848
|
|
164 20G+1 -0.07328 -0.03604 0.14394 0.06220 0.06756
|
|
165 20G-1 0.00132 0.11924 -0.17479 0.49713 0.08618
|
|
166 20G+2 -0.04138 -0.15474 0.23993 -0.04478 0.03610
|
|
167 20G-2 -0.07899 0.18375 0.01680 0.11919 -0.08406
|
|
168 20G+3 0.10901 -0.11262 -0.04940 0.02573 0.63846
|
|
169 20G-3 -0.00793 -0.10803 -0.00264 0.16674 -0.23824
|
|
170 20G+4 -0.02773 -0.12599 -0.21229 -0.13374 -0.11474
|
|
171 20G-4 -0.13464 0.18361 -0.07947 -0.03395 -0.09938
|
|
172 21H 0 0.00112 0.00072 -0.00369 0.00629 0.00029
|
|
173 21H+1 -0.01175 -0.00556 -0.00267 -0.00675 -0.00143
|
|
174 21H-1 -0.00595 0.00305 0.00242 0.00523 0.00887
|
|
175 21H+2 0.00064 -0.00215 0.00928 -0.01176 0.00519
|
|
176 21H-2 0.00129 -0.00211 0.00316 -0.00533 0.00226
|
|
177 21H+3 0.01276 0.00352 -0.00371 0.01495 0.02442
|
|
178 21H-3 0.00966 -0.00323 0.00581 0.01171 -0.01698
|
|
179 21H+4 -0.00543 -0.00613 0.00088 -0.00955 -0.03922
|
|
180 21H-4 -0.01305 0.00218 -0.00984 -0.00092 0.02784
|
|
181 21H+5 0.00655 0.00275 0.00125 0.00490 0.03393
|
|
182 21H-5 0.00715 -0.00254 -0.00120 -0.00015 -0.00436
|
|
183 3 H 1S -0.01153 -0.00693 -0.00779 -0.00516 0.01404
|
|
184 2S 0.65937 -0.31278 0.17602 0.34243 -0.37159
|
|
185 3S -4.38706 6.99992 -1.37290 2.97185 -1.16466
|
|
186 4S -3.97149 3.34931 -1.03104 0.95293 0.70006
|
|
187 5S 0.21577 -0.13254 0.03846 0.04085 -0.10560
|
|
188 6PX 0.11246 -0.03104 -0.00453 0.02249 -0.04795
|
|
189 6PY -0.00539 0.06324 -0.01358 0.01498 0.08562
|
|
190 6PZ 0.02356 -0.04431 0.04889 0.04818 -0.01117
|
|
191 7PX -0.98614 0.36305 0.01572 -0.18654 0.44192
|
|
192 7PY 0.00704 -0.52493 0.09069 -0.10201 -0.82051
|
|
193 7PZ -0.25198 0.43832 -0.40603 -0.43179 0.09264
|
|
194 8PX 2.47620 -3.01385 0.41004 -1.09768 -0.54216
|
|
195 8PY 0.38108 0.55731 0.28736 -0.58496 3.51626
|
|
196 8PZ 1.10860 -2.38567 0.51292 0.43777 0.38590
|
|
197 9PX 1.76530 -1.60631 0.43553 -0.55586 -0.53632
|
|
198 9PY 0.31449 -0.16258 0.03540 -0.20706 0.53078
|
|
199 9PZ 0.97657 -1.14431 0.48272 -0.10076 -0.10867
|
|
200 10D 0 0.02640 0.00865 -0.04494 0.02663 0.00837
|
|
201 10D+1 -0.02401 -0.00105 -0.03087 0.01450 -0.00302
|
|
202 10D-1 0.01320 -0.01258 0.00276 -0.01133 0.06388
|
|
203 10D+2 -0.03292 0.00124 0.00427 -0.01187 -0.03056
|
|
204 10D-2 0.00657 0.00219 0.03675 -0.01233 0.09237
|
|
205 11D 0 -0.20024 -0.05515 0.35133 -0.25601 -0.04942
|
|
206 11D+1 0.32717 0.17374 0.29960 0.05285 -0.17041
|
|
207 11D-1 -0.07782 0.10536 -0.03871 0.15145 -0.60683
|
|
208 11D+2 0.35673 0.12637 0.01348 0.20489 0.14443
|
|
209 11D-2 -0.02051 0.00251 -0.27015 0.20468 -0.88961
|
|
210 12D 0 0.33051 0.24338 -0.28506 -0.21331 -0.34558
|
|
211 12D+1 -0.79829 0.82704 -0.37251 -0.37965 0.38381
|
|
212 12D-1 -0.03727 -0.16609 -0.16379 0.10820 -0.85650
|
|
213 12D+2 -0.77405 0.77352 -0.13514 0.27742 0.46201
|
|
214 12D-2 -0.27916 -0.20076 -0.00121 0.16355 -1.04339
|
|
215 13F 0 -0.02221 0.02000 0.00779 0.00871 -0.00083
|
|
216 13F+1 0.00412 -0.02209 -0.00204 0.00906 -0.00526
|
|
217 13F-1 0.00060 -0.00219 -0.00427 0.00201 0.00546
|
|
218 13F+2 0.02793 -0.04408 0.01928 -0.00096 -0.01691
|
|
219 13F-2 0.01186 -0.00287 -0.00369 0.00075 0.03278
|
|
220 13F+3 0.02092 -0.02813 -0.01699 -0.00161 -0.03353
|
|
221 13F-3 0.00810 -0.00205 0.00211 -0.01969 0.02732
|
|
222 14F 0 0.06433 -0.12468 -0.11807 -0.04049 0.11324
|
|
223 14F+1 -0.07448 -0.06388 0.05530 0.20311 0.16685
|
|
224 14F-1 -0.02974 -0.02592 0.05170 -0.03040 0.18493
|
|
225 14F+2 -0.11875 -0.09632 -0.22621 0.08617 -0.11307
|
|
226 14F-2 -0.03982 0.09186 0.10726 -0.15446 0.58268
|
|
227 14F+3 -0.11369 -0.17536 0.13704 -0.17414 -0.00942
|
|
228 14F-3 0.01644 0.09337 0.08443 0.00062 0.49663
|
|
229 15G 0 0.00544 -0.00323 0.00021 0.00936 -0.00768
|
|
230 15G+1 0.01269 0.00326 -0.00224 -0.00422 -0.01440
|
|
231 15G-1 0.00297 0.00450 -0.00206 -0.00034 0.00334
|
|
232 15G+2 -0.00185 0.01740 -0.00391 -0.01861 0.00351
|
|
233 15G-2 -0.00021 0.00040 0.00444 0.00210 -0.02419
|
|
234 15G+3 -0.00836 0.02190 -0.00357 0.00024 0.02793
|
|
235 15G-3 -0.00384 -0.00338 -0.00547 0.00184 -0.04684
|
|
236 15G+4 -0.00383 0.02233 0.01041 0.00686 0.01947
|
|
237 15G-4 -0.00486 -0.00419 -0.00259 0.01279 -0.02842
|
|
238 4 H 1S -0.01153 0.00693 -0.00779 -0.00516 -0.01404
|
|
239 2S 0.65937 0.31278 0.17602 0.34243 0.37159
|
|
240 3S -4.38706 -6.99992 -1.37290 2.97185 1.16466
|
|
241 4S -3.97149 -3.34931 -1.03104 0.95293 -0.70006
|
|
242 5S 0.21577 0.13254 0.03846 0.04085 0.10560
|
|
243 6PX -0.11246 -0.03104 0.00453 -0.02249 -0.04795
|
|
244 6PY 0.00539 0.06324 0.01358 -0.01498 0.08562
|
|
245 6PZ 0.02356 0.04431 0.04889 0.04818 0.01117
|
|
246 7PX 0.98614 0.36305 -0.01572 0.18654 0.44192
|
|
247 7PY -0.00704 -0.52493 -0.09069 0.10201 -0.82051
|
|
248 7PZ -0.25198 -0.43832 -0.40603 -0.43179 -0.09264
|
|
249 8PX -2.47620 -3.01385 -0.41004 1.09768 -0.54216
|
|
250 8PY -0.38108 0.55731 -0.28736 0.58496 3.51626
|
|
251 8PZ 1.10860 2.38567 0.51292 0.43777 -0.38590
|
|
252 9PX -1.76530 -1.60631 -0.43553 0.55586 -0.53632
|
|
253 9PY -0.31449 -0.16258 -0.03540 0.20706 0.53078
|
|
254 9PZ 0.97657 1.14431 0.48272 -0.10076 0.10867
|
|
255 10D 0 0.02640 -0.00865 -0.04494 0.02663 -0.00837
|
|
256 10D+1 0.02401 -0.00105 0.03087 -0.01450 -0.00302
|
|
257 10D-1 -0.01320 -0.01258 -0.00276 0.01133 0.06388
|
|
258 10D+2 -0.03292 -0.00124 0.00427 -0.01187 0.03056
|
|
259 10D-2 0.00657 -0.00219 0.03675 -0.01233 -0.09237
|
|
260 11D 0 -0.20024 0.05515 0.35133 -0.25601 0.04942
|
|
261 11D+1 -0.32717 0.17374 -0.29960 -0.05285 -0.17041
|
|
262 11D-1 0.07782 0.10536 0.03871 -0.15145 -0.60683
|
|
263 11D+2 0.35673 -0.12637 0.01348 0.20489 -0.14443
|
|
264 11D-2 -0.02051 -0.00251 -0.27015 0.20468 0.88961
|
|
265 12D 0 0.33051 -0.24338 -0.28506 -0.21331 0.34558
|
|
266 12D+1 0.79829 0.82704 0.37251 0.37965 0.38381
|
|
267 12D-1 0.03727 -0.16609 0.16379 -0.10820 -0.85650
|
|
268 12D+2 -0.77405 -0.77352 -0.13514 0.27742 -0.46201
|
|
269 12D-2 -0.27916 0.20076 -0.00121 0.16355 1.04339
|
|
270 13F 0 -0.02221 -0.02000 0.00779 0.00871 0.00083
|
|
271 13F+1 -0.00412 -0.02209 0.00204 -0.00906 -0.00526
|
|
272 13F-1 -0.00060 -0.00219 0.00427 -0.00201 0.00546
|
|
273 13F+2 0.02793 0.04408 0.01928 -0.00096 0.01691
|
|
274 13F-2 0.01186 0.00287 -0.00369 0.00075 -0.03278
|
|
275 13F+3 -0.02092 -0.02813 0.01699 0.00161 -0.03353
|
|
276 13F-3 -0.00810 -0.00205 -0.00211 0.01969 0.02732
|
|
277 14F 0 0.06433 0.12468 -0.11807 -0.04049 -0.11324
|
|
278 14F+1 0.07448 -0.06388 -0.05530 -0.20311 0.16685
|
|
279 14F-1 0.02974 -0.02592 -0.05170 0.03040 0.18493
|
|
280 14F+2 -0.11875 0.09632 -0.22621 0.08617 0.11307
|
|
281 14F-2 -0.03982 -0.09186 0.10726 -0.15446 -0.58268
|
|
282 14F+3 0.11369 -0.17536 -0.13704 0.17414 -0.00942
|
|
283 14F-3 -0.01644 0.09337 -0.08443 -0.00062 0.49663
|
|
284 15G 0 0.00544 0.00323 0.00021 0.00936 0.00768
|
|
285 15G+1 -0.01269 0.00326 0.00224 0.00422 -0.01440
|
|
286 15G-1 -0.00297 0.00450 0.00206 0.00034 0.00334
|
|
287 15G+2 -0.00185 -0.01740 -0.00391 -0.01861 -0.00351
|
|
288 15G-2 -0.00021 -0.00040 0.00444 0.00210 0.02419
|
|
289 15G+3 0.00836 0.02190 0.00357 -0.00024 0.02793
|
|
290 15G-3 0.00384 -0.00338 0.00547 -0.00184 -0.04684
|
|
291 15G+4 -0.00383 -0.02233 0.01041 0.00686 -0.01947
|
|
292 15G-4 -0.00486 0.00419 -0.00259 0.01279 0.02842
|
|
121 122 123 124 125
|
|
V V V V V
|
|
Eigenvalues -- 6.23750 6.27064 6.42641 6.51987 6.53573
|
|
1 1 O 1S 0.02107 -0.01732 0.00629 -0.00277 -0.00205
|
|
2 2S 0.01395 -0.02405 -0.03919 -0.00283 0.01902
|
|
3 3S 0.35022 -0.31270 -0.14401 -0.06390 0.08807
|
|
4 4S -1.86981 0.81052 1.14974 0.32058 -0.71387
|
|
5 5S 1.34761 3.30571 -5.17076 0.15318 2.86074
|
|
6 6S 1.90528 0.50325 -1.27773 -0.35326 0.16187
|
|
7 7PX -0.00698 0.02279 -0.00216 -0.02197 0.01822
|
|
8 7PY 0.01350 0.04390 -0.01171 0.00254 0.01445
|
|
9 7PZ -0.00495 0.01176 -0.00755 0.02019 -0.03131
|
|
10 8PX -0.21767 0.09197 0.46664 -0.39930 0.21649
|
|
11 8PY 0.16763 0.68074 -0.22800 -0.00894 0.27159
|
|
12 8PZ -0.10659 0.08610 -0.06579 0.60849 -0.73305
|
|
13 9PX -0.28735 1.08609 -1.89892 1.52715 -0.56442
|
|
14 9PY -0.67133 -2.01264 0.62907 0.13092 -0.88876
|
|
15 9PZ -0.36611 0.57850 0.06724 -1.79507 2.29721
|
|
16 10PX 2.16734 1.66254 -2.58563 0.70070 -0.19704
|
|
17 10PY 0.75147 -0.43324 -2.47806 -0.25699 1.38344
|
|
18 10PZ 0.61298 0.65267 -0.24628 -2.05157 2.33805
|
|
19 11PX 0.12202 0.12847 -0.14871 -0.05998 -0.00278
|
|
20 11PY -0.14021 0.12303 -0.23563 -0.02513 0.20285
|
|
21 11PZ 0.12675 0.07847 0.00855 -0.03989 0.04421
|
|
22 12D 0 -0.00741 0.00756 0.02006 -0.01724 0.01105
|
|
23 12D+1 0.01395 -0.01236 -0.00419 -0.01459 0.01346
|
|
24 12D-1 0.00183 -0.01458 -0.00177 -0.00632 0.00138
|
|
25 12D+2 0.00910 0.01342 0.00080 0.00768 -0.01133
|
|
26 12D-2 0.01739 -0.01575 -0.00823 -0.00002 -0.00213
|
|
27 13D 0 0.00863 -0.02860 -0.10010 0.03104 0.00297
|
|
28 13D+1 -0.04830 0.04227 0.07107 0.04634 -0.07254
|
|
29 13D-1 0.02835 0.04720 0.03257 -0.00971 -0.01073
|
|
30 13D+2 -0.06080 -0.04171 -0.02888 -0.03292 0.05484
|
|
31 13D-2 -0.03617 0.07701 -0.01214 0.00177 0.03110
|
|
32 14D 0 -0.40700 -0.12268 1.14371 -1.61840 1.27781
|
|
33 14D+1 0.00136 0.39539 -0.20252 -0.81607 0.97488
|
|
34 14D-1 -0.03175 -0.71586 -0.07308 -0.36392 0.20680
|
|
35 14D+2 0.05469 0.80371 -0.73541 0.87639 -0.68900
|
|
36 14D-2 0.23848 -0.72533 -0.70752 0.22206 -0.06800
|
|
37 15D 0 -0.31875 0.35079 0.64688 -1.56308 1.56152
|
|
38 15D+1 0.73826 0.62808 -0.50355 -1.00644 1.21937
|
|
39 15D-1 0.43951 -0.44063 -0.70630 -0.62884 0.77865
|
|
40 15D+2 0.60148 1.15900 -1.57559 0.49088 0.04801
|
|
41 15D-2 0.27788 -0.81651 -1.67759 0.31827 0.55329
|
|
42 16F 0 0.00227 0.01294 -0.00593 0.00826 -0.02019
|
|
43 16F+1 0.01667 -0.00520 -0.01612 0.01934 -0.01723
|
|
44 16F-1 0.00098 -0.00815 -0.01835 0.00371 0.01389
|
|
45 16F+2 -0.00340 -0.01525 -0.00606 0.00345 -0.00594
|
|
46 16F-2 0.02595 0.01424 0.01855 -0.00534 -0.01054
|
|
47 16F+3 0.02921 -0.00727 0.00120 -0.02034 0.01379
|
|
48 16F-3 0.00669 -0.02624 0.00069 -0.00419 -0.00484
|
|
49 17F 0 0.03012 -0.13881 0.01972 -0.05240 0.15921
|
|
50 17F+1 -0.13785 0.06771 0.08175 -0.04716 0.04791
|
|
51 17F-1 -0.01402 0.09564 0.16719 0.00888 -0.15443
|
|
52 17F+2 -0.01913 0.17154 0.05815 -0.00155 0.04702
|
|
53 17F-2 -0.23301 -0.04231 -0.13292 0.07113 0.06430
|
|
54 17F+3 -0.27563 0.04162 0.01741 0.14537 -0.08994
|
|
55 17F-3 -0.08961 0.28792 0.05371 0.02547 0.03786
|
|
56 18F 0 -0.28022 0.14811 0.37259 -0.46412 0.29629
|
|
57 18F+1 -0.09311 0.05129 0.59973 -1.49043 1.38915
|
|
58 18F-1 0.11050 -0.36688 0.19890 -0.45673 0.30880
|
|
59 18F+2 0.30290 0.43218 -0.33812 -0.32520 0.24461
|
|
60 18F-2 0.32394 -0.87569 -0.38287 -0.25450 0.32386
|
|
61 18F+3 0.21745 0.82382 -0.82846 0.39645 -0.10543
|
|
62 18F-3 0.47809 -0.80180 -0.50091 0.36821 -0.23027
|
|
63 19G 0 0.00277 0.00447 0.01355 -0.00288 0.00307
|
|
64 19G+1 0.01728 0.00022 0.00080 0.01188 -0.01542
|
|
65 19G-1 -0.02032 0.01238 -0.02088 -0.00832 0.01636
|
|
66 19G+2 -0.00343 -0.00327 -0.02208 0.00882 0.00274
|
|
67 19G-2 -0.00923 0.00465 -0.00930 0.03140 -0.01162
|
|
68 19G+3 0.03048 0.00937 -0.00310 -0.00082 0.00659
|
|
69 19G-3 0.02607 -0.01007 0.03966 -0.00577 -0.01733
|
|
70 19G+4 -0.00105 -0.02327 -0.01252 -0.00162 0.00675
|
|
71 19G-4 -0.02486 0.01177 -0.01488 -0.00592 0.01203
|
|
72 20G 0 0.00198 -0.02686 -0.15951 0.14379 -0.14239
|
|
73 20G+1 -0.20302 -0.03976 0.15869 -0.33247 0.31251
|
|
74 20G-1 0.18130 -0.07831 0.23548 0.02518 -0.13204
|
|
75 20G+2 -0.01004 0.11385 0.30084 -0.26757 0.14830
|
|
76 20G-2 0.07945 -0.09665 0.10463 -0.40084 0.22033
|
|
77 20G+3 -0.29364 0.06092 -0.00312 0.05383 -0.08783
|
|
78 20G-3 -0.24143 -0.00012 -0.47650 0.05494 0.20433
|
|
79 20G+4 0.01252 0.39440 0.09957 0.08765 -0.12308
|
|
80 20G-4 0.28337 -0.14709 0.02215 0.11981 -0.14434
|
|
81 21H 0 0.00631 0.00289 -0.02000 0.04196 -0.03452
|
|
82 21H+1 -0.00728 0.00548 0.00589 0.00415 -0.00780
|
|
83 21H-1 -0.00302 0.01472 0.00196 0.00418 0.00171
|
|
84 21H+2 -0.01207 -0.00269 0.03141 -0.04468 0.03836
|
|
85 21H-2 -0.00056 0.00299 0.01609 -0.02583 0.01678
|
|
86 21H+3 0.00120 0.00462 0.01250 -0.02757 0.01737
|
|
87 21H-3 0.00363 -0.02148 -0.00433 -0.02435 0.02826
|
|
88 21H+4 0.00610 0.02840 -0.00631 0.01169 -0.00619
|
|
89 21H-4 0.02052 -0.02704 -0.02154 0.00137 0.00069
|
|
90 21H+5 0.00489 0.01587 0.00217 0.01083 -0.01060
|
|
91 21H-5 0.00560 -0.01523 -0.02376 0.01448 -0.00969
|
|
92 2 O 1S -0.02107 -0.01732 0.00629 0.00277 -0.00205
|
|
93 2S -0.01395 -0.02405 -0.03919 0.00283 0.01902
|
|
94 3S -0.35022 -0.31270 -0.14401 0.06390 0.08807
|
|
95 4S 1.86981 0.81052 1.14974 -0.32058 -0.71387
|
|
96 5S -1.34761 3.30571 -5.17076 -0.15318 2.86074
|
|
97 6S -1.90528 0.50325 -1.27773 0.35326 0.16187
|
|
98 7PX -0.00698 -0.02279 0.00216 -0.02197 -0.01822
|
|
99 7PY 0.01350 -0.04390 0.01171 0.00254 -0.01445
|
|
100 7PZ 0.00495 0.01176 -0.00755 -0.02019 -0.03131
|
|
101 8PX -0.21767 -0.09197 -0.46664 -0.39930 -0.21649
|
|
102 8PY 0.16763 -0.68074 0.22800 -0.00894 -0.27159
|
|
103 8PZ 0.10659 0.08610 -0.06579 -0.60849 -0.73305
|
|
104 9PX -0.28735 -1.08609 1.89892 1.52715 0.56442
|
|
105 9PY -0.67133 2.01264 -0.62907 0.13092 0.88876
|
|
106 9PZ 0.36611 0.57850 0.06724 1.79507 2.29721
|
|
107 10PX 2.16734 -1.66254 2.58563 0.70070 0.19704
|
|
108 10PY 0.75147 0.43324 2.47806 -0.25699 -1.38344
|
|
109 10PZ -0.61298 0.65267 -0.24628 2.05157 2.33805
|
|
110 11PX 0.12202 -0.12847 0.14871 -0.05998 0.00278
|
|
111 11PY -0.14021 -0.12303 0.23563 -0.02513 -0.20285
|
|
112 11PZ -0.12675 0.07847 0.00855 0.03989 0.04421
|
|
113 12D 0 0.00741 0.00756 0.02006 0.01724 0.01105
|
|
114 12D+1 0.01395 0.01236 0.00419 -0.01459 -0.01346
|
|
115 12D-1 0.00183 0.01458 0.00177 -0.00632 -0.00138
|
|
116 12D+2 -0.00910 0.01342 0.00080 -0.00768 -0.01133
|
|
117 12D-2 -0.01739 -0.01575 -0.00823 0.00002 -0.00213
|
|
118 13D 0 -0.00863 -0.02860 -0.10010 -0.03104 0.00297
|
|
119 13D+1 -0.04830 -0.04227 -0.07107 0.04634 0.07254
|
|
120 13D-1 0.02835 -0.04720 -0.03257 -0.00971 0.01073
|
|
121 13D+2 0.06080 -0.04171 -0.02888 0.03292 0.05484
|
|
122 13D-2 0.03617 0.07701 -0.01214 -0.00177 0.03110
|
|
123 14D 0 0.40700 -0.12268 1.14371 1.61840 1.27781
|
|
124 14D+1 0.00136 -0.39539 0.20252 -0.81607 -0.97488
|
|
125 14D-1 -0.03175 0.71586 0.07308 -0.36392 -0.20680
|
|
126 14D+2 -0.05469 0.80371 -0.73541 -0.87639 -0.68900
|
|
127 14D-2 -0.23848 -0.72533 -0.70752 -0.22206 -0.06800
|
|
128 15D 0 0.31875 0.35079 0.64688 1.56308 1.56152
|
|
129 15D+1 0.73826 -0.62808 0.50355 -1.00644 -1.21937
|
|
130 15D-1 0.43951 0.44063 0.70630 -0.62884 -0.77865
|
|
131 15D+2 -0.60148 1.15900 -1.57559 -0.49088 0.04801
|
|
132 15D-2 -0.27788 -0.81651 -1.67759 -0.31827 0.55329
|
|
133 16F 0 -0.00227 0.01294 -0.00593 -0.00826 -0.02019
|
|
134 16F+1 0.01667 0.00520 0.01612 0.01934 0.01723
|
|
135 16F-1 0.00098 0.00815 0.01835 0.00371 -0.01389
|
|
136 16F+2 0.00340 -0.01525 -0.00606 -0.00345 -0.00594
|
|
137 16F-2 -0.02595 0.01424 0.01855 0.00534 -0.01054
|
|
138 16F+3 0.02921 0.00727 -0.00120 -0.02034 -0.01379
|
|
139 16F-3 0.00669 0.02624 -0.00069 -0.00419 0.00484
|
|
140 17F 0 -0.03012 -0.13881 0.01972 0.05240 0.15921
|
|
141 17F+1 -0.13785 -0.06771 -0.08175 -0.04716 -0.04791
|
|
142 17F-1 -0.01402 -0.09564 -0.16719 0.00888 0.15443
|
|
143 17F+2 0.01913 0.17154 0.05815 0.00155 0.04702
|
|
144 17F-2 0.23301 -0.04231 -0.13292 -0.07113 0.06430
|
|
145 17F+3 -0.27563 -0.04162 -0.01741 0.14537 0.08994
|
|
146 17F-3 -0.08961 -0.28792 -0.05371 0.02547 -0.03786
|
|
147 18F 0 0.28022 0.14811 0.37259 0.46412 0.29629
|
|
148 18F+1 -0.09311 -0.05129 -0.59973 -1.49043 -1.38915
|
|
149 18F-1 0.11050 0.36688 -0.19890 -0.45673 -0.30880
|
|
150 18F+2 -0.30290 0.43218 -0.33812 0.32520 0.24461
|
|
151 18F-2 -0.32394 -0.87569 -0.38287 0.25450 0.32386
|
|
152 18F+3 0.21745 -0.82382 0.82846 0.39645 0.10543
|
|
153 18F-3 0.47809 0.80180 0.50091 0.36821 0.23027
|
|
154 19G 0 -0.00277 0.00447 0.01355 0.00288 0.00307
|
|
155 19G+1 0.01728 -0.00022 -0.00080 0.01188 0.01542
|
|
156 19G-1 -0.02032 -0.01238 0.02088 -0.00832 -0.01636
|
|
157 19G+2 0.00343 -0.00327 -0.02208 -0.00882 0.00274
|
|
158 19G-2 0.00923 0.00465 -0.00930 -0.03140 -0.01162
|
|
159 19G+3 0.03048 -0.00937 0.00310 -0.00082 -0.00659
|
|
160 19G-3 0.02607 0.01007 -0.03966 -0.00577 0.01733
|
|
161 19G+4 0.00105 -0.02327 -0.01252 0.00162 0.00675
|
|
162 19G-4 0.02486 0.01177 -0.01488 0.00592 0.01203
|
|
163 20G 0 -0.00198 -0.02686 -0.15951 -0.14379 -0.14239
|
|
164 20G+1 -0.20302 0.03976 -0.15869 -0.33247 -0.31251
|
|
165 20G-1 0.18130 0.07831 -0.23548 0.02518 0.13204
|
|
166 20G+2 0.01004 0.11385 0.30084 0.26757 0.14830
|
|
167 20G-2 -0.07945 -0.09665 0.10463 0.40084 0.22033
|
|
168 20G+3 -0.29364 -0.06092 0.00312 0.05383 0.08783
|
|
169 20G-3 -0.24143 0.00012 0.47650 0.05494 -0.20433
|
|
170 20G+4 -0.01252 0.39440 0.09957 -0.08765 -0.12308
|
|
171 20G-4 -0.28337 -0.14709 0.02215 -0.11981 -0.14434
|
|
172 21H 0 -0.00631 0.00289 -0.02000 -0.04196 -0.03452
|
|
173 21H+1 -0.00728 -0.00548 -0.00589 0.00415 0.00780
|
|
174 21H-1 -0.00302 -0.01472 -0.00196 0.00418 -0.00171
|
|
175 21H+2 0.01207 -0.00269 0.03141 0.04468 0.03836
|
|
176 21H-2 0.00056 0.00299 0.01609 0.02583 0.01678
|
|
177 21H+3 0.00120 -0.00462 -0.01250 -0.02757 -0.01737
|
|
178 21H-3 0.00363 0.02148 0.00433 -0.02435 -0.02826
|
|
179 21H+4 -0.00610 0.02840 -0.00631 -0.01169 -0.00619
|
|
180 21H-4 -0.02052 -0.02704 -0.02154 -0.00137 0.00069
|
|
181 21H+5 0.00489 -0.01587 -0.00217 0.01083 0.01060
|
|
182 21H-5 0.00560 0.01523 0.02376 0.01448 0.00969
|
|
183 3 H 1S -0.00906 0.00436 0.01935 0.00294 -0.01086
|
|
184 2S -0.27867 0.24564 0.12971 0.19238 -0.14454
|
|
185 3S -2.03425 -3.16618 5.30981 0.52048 -2.70861
|
|
186 4S -0.82034 -0.92142 0.68711 0.13956 0.11024
|
|
187 5S 0.00002 0.07298 0.13428 0.05746 -0.08583
|
|
188 6PX -0.05712 0.01158 0.07812 -0.03856 0.02820
|
|
189 6PY 0.02372 0.05245 0.04433 -0.01242 -0.01999
|
|
190 6PZ -0.01059 0.02197 -0.02498 0.10120 -0.09163
|
|
191 7PX 0.54502 -0.19156 -0.62892 0.38251 -0.35498
|
|
192 7PY -0.16349 -0.54998 -0.45566 0.09273 0.19537
|
|
193 7PZ 0.10274 -0.26778 0.35200 -1.02277 0.86449
|
|
194 8PX -0.61537 1.12699 -0.47846 -2.25458 2.98685
|
|
195 8PY -0.17704 3.12305 1.05004 -0.25422 -0.23255
|
|
196 8PZ 0.50175 1.38083 -3.40434 3.87785 -2.62851
|
|
197 9PX 0.23214 0.48068 -0.36871 -0.50660 0.66321
|
|
198 9PY 0.14137 0.43375 0.54046 -0.11204 -0.38997
|
|
199 9PZ 0.28339 0.33870 -1.07963 0.74091 -0.57450
|
|
200 10D 0 0.02008 0.00821 -0.07097 0.12853 -0.11079
|
|
201 10D+1 -0.00376 0.03692 -0.05961 0.07225 -0.04744
|
|
202 10D-1 -0.01725 0.07581 -0.00625 0.01708 -0.01659
|
|
203 10D+2 -0.02476 -0.02011 0.01931 -0.07278 0.07029
|
|
204 10D-2 -0.03421 0.11391 -0.01047 -0.01627 0.03946
|
|
205 11D 0 -0.18738 -0.07732 0.64255 -1.16340 0.98299
|
|
206 11D+1 -0.01934 -0.34274 0.71447 -0.61161 0.31764
|
|
207 11D-1 0.14336 -0.65998 0.04073 -0.18682 0.14583
|
|
208 11D+2 0.17642 0.14019 -0.00607 0.68078 -0.71913
|
|
209 11D-2 0.29170 -0.97447 0.03026 0.16892 -0.31076
|
|
210 12D 0 -0.21291 -0.22906 1.20537 -1.66534 1.29039
|
|
211 12D+1 0.30371 -0.32525 0.76944 -0.98987 0.68276
|
|
212 12D-1 -0.06485 -0.75264 -0.02897 -0.13539 0.26942
|
|
213 12D+2 0.55565 -0.27775 -0.01489 0.76230 -1.09742
|
|
214 12D-2 0.05661 -1.07447 -0.70806 0.15234 0.05786
|
|
215 13F 0 0.00357 -0.01245 0.00589 0.00990 -0.02072
|
|
216 13F+1 0.01513 -0.00226 -0.03326 0.03859 -0.02438
|
|
217 13F-1 0.01887 -0.00164 0.00615 0.00800 -0.01429
|
|
218 13F+2 0.01131 -0.01568 -0.03350 0.00227 0.01724
|
|
219 13F-2 -0.01055 0.02259 0.01605 0.00460 -0.00890
|
|
220 13F+3 0.01388 -0.02183 -0.01315 -0.01599 0.01761
|
|
221 13F-3 0.00424 -0.00462 0.03748 -0.00594 -0.02018
|
|
222 14F 0 0.19886 0.01535 -0.18365 0.27033 -0.20837
|
|
223 14F+1 -0.00090 0.19239 -0.68055 1.08144 -0.90009
|
|
224 14F-1 -0.11538 0.27374 -0.22581 0.17601 -0.07130
|
|
225 14F+2 -0.32018 0.19922 -0.09161 0.12728 -0.07575
|
|
226 14F-2 0.02458 0.58520 -0.03827 0.07535 -0.06321
|
|
227 14F+3 -0.38588 0.02016 0.03865 -0.40590 0.44630
|
|
228 14F-3 -0.23707 0.73611 0.02831 -0.11525 0.31243
|
|
229 15G 0 0.00052 0.00810 -0.02002 0.03159 -0.02642
|
|
230 15G+1 -0.01620 0.00129 0.03289 -0.05682 0.05174
|
|
231 15G-1 -0.01185 0.00690 0.00399 -0.00735 0.00805
|
|
232 15G+2 0.00341 -0.00244 0.04006 -0.05757 0.03670
|
|
233 15G-2 -0.00601 -0.02514 0.00779 -0.01778 0.02094
|
|
234 15G+3 0.01142 0.01397 0.01274 0.00741 -0.01613
|
|
235 15G-3 0.00796 -0.03921 -0.01638 -0.00290 0.00093
|
|
236 15G+4 0.01205 0.01337 0.00204 0.02347 -0.02501
|
|
237 15G-4 0.00778 -0.01771 -0.02433 0.01159 -0.00001
|
|
238 4 H 1S 0.00906 0.00436 0.01935 -0.00294 -0.01086
|
|
239 2S 0.27867 0.24564 0.12971 -0.19238 -0.14454
|
|
240 3S 2.03425 -3.16618 5.30981 -0.52048 -2.70861
|
|
241 4S 0.82034 -0.92142 0.68711 -0.13956 0.11024
|
|
242 5S -0.00002 0.07298 0.13428 -0.05746 -0.08583
|
|
243 6PX -0.05712 -0.01158 -0.07812 -0.03856 -0.02820
|
|
244 6PY 0.02372 -0.05245 -0.04433 -0.01242 0.01999
|
|
245 6PZ 0.01059 0.02197 -0.02498 -0.10120 -0.09163
|
|
246 7PX 0.54502 0.19156 0.62892 0.38251 0.35498
|
|
247 7PY -0.16349 0.54998 0.45566 0.09273 -0.19537
|
|
248 7PZ -0.10274 -0.26778 0.35200 1.02277 0.86449
|
|
249 8PX -0.61537 -1.12699 0.47846 -2.25458 -2.98685
|
|
250 8PY -0.17704 -3.12305 -1.05004 -0.25422 0.23255
|
|
251 8PZ -0.50175 1.38083 -3.40434 -3.87785 -2.62851
|
|
252 9PX 0.23214 -0.48068 0.36871 -0.50660 -0.66321
|
|
253 9PY 0.14137 -0.43375 -0.54046 -0.11204 0.38997
|
|
254 9PZ -0.28339 0.33870 -1.07963 -0.74091 -0.57450
|
|
255 10D 0 -0.02008 0.00821 -0.07097 -0.12853 -0.11079
|
|
256 10D+1 -0.00376 -0.03692 0.05961 0.07225 0.04744
|
|
257 10D-1 -0.01725 -0.07581 0.00625 0.01708 0.01659
|
|
258 10D+2 0.02476 -0.02011 0.01931 0.07278 0.07029
|
|
259 10D-2 0.03421 0.11391 -0.01047 0.01627 0.03946
|
|
260 11D 0 0.18738 -0.07732 0.64255 1.16340 0.98299
|
|
261 11D+1 -0.01934 0.34274 -0.71447 -0.61161 -0.31764
|
|
262 11D-1 0.14336 0.65998 -0.04073 -0.18682 -0.14583
|
|
263 11D+2 -0.17642 0.14019 -0.00607 -0.68078 -0.71913
|
|
264 11D-2 -0.29170 -0.97447 0.03026 -0.16892 -0.31076
|
|
265 12D 0 0.21291 -0.22906 1.20537 1.66534 1.29039
|
|
266 12D+1 0.30371 0.32525 -0.76944 -0.98987 -0.68276
|
|
267 12D-1 -0.06485 0.75264 0.02897 -0.13539 -0.26942
|
|
268 12D+2 -0.55565 -0.27775 -0.01489 -0.76230 -1.09742
|
|
269 12D-2 -0.05661 -1.07447 -0.70806 -0.15234 0.05786
|
|
270 13F 0 -0.00357 -0.01245 0.00589 -0.00990 -0.02072
|
|
271 13F+1 0.01513 0.00226 0.03326 0.03859 0.02438
|
|
272 13F-1 0.01887 0.00164 -0.00615 0.00800 0.01429
|
|
273 13F+2 -0.01131 -0.01568 -0.03350 -0.00227 0.01724
|
|
274 13F-2 0.01055 0.02259 0.01605 -0.00460 -0.00890
|
|
275 13F+3 0.01388 0.02183 0.01315 -0.01599 -0.01761
|
|
276 13F-3 0.00424 0.00462 -0.03748 -0.00594 0.02018
|
|
277 14F 0 -0.19886 0.01535 -0.18365 -0.27033 -0.20837
|
|
278 14F+1 -0.00090 -0.19239 0.68055 1.08144 0.90009
|
|
279 14F-1 -0.11538 -0.27374 0.22581 0.17601 0.07130
|
|
280 14F+2 0.32018 0.19922 -0.09161 -0.12728 -0.07575
|
|
281 14F-2 -0.02458 0.58520 -0.03827 -0.07535 -0.06321
|
|
282 14F+3 -0.38588 -0.02016 -0.03865 -0.40590 -0.44630
|
|
283 14F-3 -0.23707 -0.73611 -0.02831 -0.11525 -0.31243
|
|
284 15G 0 -0.00052 0.00810 -0.02002 -0.03159 -0.02642
|
|
285 15G+1 -0.01620 -0.00129 -0.03289 -0.05682 -0.05174
|
|
286 15G-1 -0.01185 -0.00690 -0.00399 -0.00735 -0.00805
|
|
287 15G+2 -0.00341 -0.00244 0.04006 0.05757 0.03670
|
|
288 15G-2 0.00601 -0.02514 0.00779 0.01778 0.02094
|
|
289 15G+3 0.01142 -0.01397 -0.01274 0.00741 0.01613
|
|
290 15G-3 0.00796 0.03921 0.01638 -0.00290 -0.00093
|
|
291 15G+4 -0.01205 0.01337 0.00204 -0.02347 -0.02501
|
|
292 15G-4 -0.00778 -0.01771 -0.02433 -0.01159 -0.00001
|
|
126 127 128 129 130
|
|
V V V V V
|
|
Eigenvalues -- 6.62065 6.62364 6.69078 6.79980 6.81227
|
|
1 1 O 1S -0.02911 -0.02761 0.00681 -0.01575 0.00862
|
|
2 2S 0.01514 0.00184 -0.04170 0.03916 -0.02354
|
|
3 3S -0.30045 -0.36281 -0.11272 -0.07939 0.00230
|
|
4 4S 0.64166 1.19787 0.23385 1.14494 -0.29363
|
|
5 5S 7.34903 4.70366 -0.39372 -1.59123 0.19601
|
|
6 6S 0.98859 1.51452 1.89424 -1.02437 0.11529
|
|
7 7PX 0.01128 0.02407 0.01813 0.01487 -0.00098
|
|
8 7PY 0.00135 -0.00780 -0.01619 -0.01017 0.02514
|
|
9 7PZ 0.00272 0.00876 0.00825 0.00542 -0.02603
|
|
10 8PX -0.03854 0.18896 0.01190 0.30353 0.03683
|
|
11 8PY -0.26715 -0.24453 -0.62309 0.26061 0.22382
|
|
12 8PZ -0.11167 -0.01613 -0.02462 0.19612 -0.23886
|
|
13 9PX 2.34812 1.63876 0.48585 -0.36367 -0.26356
|
|
14 9PY 1.57400 1.27088 2.15604 -0.83322 -0.62254
|
|
15 9PZ 1.88431 1.45907 0.40781 -0.15010 0.47676
|
|
16 10PX 2.24366 0.88143 -0.58823 -1.28079 0.64499
|
|
17 10PY 2.98146 0.33756 -0.78431 -1.06312 0.40814
|
|
18 10PZ 1.11765 1.09905 0.70255 -0.57918 1.50612
|
|
19 11PX 0.07520 0.09735 0.09887 -0.07813 0.06795
|
|
20 11PY 0.15782 -0.01037 -0.20531 -0.09737 0.06334
|
|
21 11PZ -0.00759 0.10485 0.17569 -0.06840 0.16773
|
|
22 12D 0 -0.00152 0.00372 0.00711 -0.00486 0.00284
|
|
23 12D+1 -0.02311 -0.02225 -0.00156 -0.00520 0.00078
|
|
24 12D-1 0.00414 -0.00218 0.00764 -0.00033 0.00676
|
|
25 12D+2 -0.02141 -0.01695 0.00620 -0.02196 0.00534
|
|
26 12D-2 0.00599 0.00584 -0.00218 -0.01748 -0.00566
|
|
27 13D 0 0.00735 -0.03698 -0.07224 0.04206 0.02697
|
|
28 13D+1 0.04513 0.05949 -0.01197 -0.01715 0.02121
|
|
29 13D-1 -0.01942 -0.00925 0.01571 -0.01098 -0.19103
|
|
30 13D+2 0.03583 0.00848 -0.13856 0.12398 -0.05765
|
|
31 13D-2 -0.06460 -0.02217 0.13482 0.11282 0.04033
|
|
32 14D 0 -0.20675 0.00682 0.35886 0.10141 0.44350
|
|
33 14D+1 0.72687 0.61485 0.29815 -0.16099 0.25389
|
|
34 14D-1 0.98556 0.47855 0.46739 -0.30584 -0.29629
|
|
35 14D+2 0.12903 0.11063 0.26484 -0.38080 0.04810
|
|
36 14D-2 1.42735 0.87128 0.44994 -0.71452 -0.36505
|
|
37 15D 0 0.08340 -0.02905 -0.29298 0.20552 0.63930
|
|
38 15D+1 0.29589 0.00324 -0.13023 -0.60615 0.62200
|
|
39 15D-1 1.06763 -0.10598 0.00367 -0.52209 -0.93989
|
|
40 15D+2 0.13538 -0.43044 -1.21142 -0.35901 0.49902
|
|
41 15D-2 0.78338 0.24449 0.78524 -0.74449 -0.23596
|
|
42 16F 0 0.01670 0.02699 0.01467 0.02080 0.00407
|
|
43 16F+1 -0.00545 -0.00649 -0.01077 -0.01286 -0.01100
|
|
44 16F-1 0.00040 -0.00894 -0.01242 0.02255 0.00798
|
|
45 16F+2 -0.02560 -0.03280 0.01586 -0.00301 -0.00429
|
|
46 16F-2 -0.02912 -0.00634 0.02052 -0.01708 0.00407
|
|
47 16F+3 0.00088 0.00955 -0.00461 -0.01054 0.00606
|
|
48 16F-3 -0.03435 -0.01447 0.00812 0.03408 0.00624
|
|
49 17F 0 -0.21379 -0.29241 -0.14057 -0.23303 -0.06867
|
|
50 17F+1 0.08993 0.08749 0.09154 0.13676 0.04725
|
|
51 17F-1 -0.01528 0.08659 0.11598 -0.20909 -0.07600
|
|
52 17F+2 0.33430 0.41511 -0.11768 0.08744 -0.00214
|
|
53 17F-2 0.24126 0.08117 -0.21487 0.22777 -0.01358
|
|
54 17F+3 0.08446 -0.02572 0.11515 0.15139 -0.05048
|
|
55 17F-3 0.28662 0.16089 -0.07235 -0.28210 -0.00626
|
|
56 18F 0 0.05463 -0.06805 0.00671 0.24701 -0.03418
|
|
57 18F+1 -0.12850 -0.02345 0.20355 -0.10927 0.50642
|
|
58 18F-1 0.11527 0.03830 0.24526 -0.01010 -0.46678
|
|
59 18F+2 -0.36395 -0.54349 -0.08699 -0.29024 0.04364
|
|
60 18F-2 0.69348 0.23652 0.80161 -0.39372 -0.49873
|
|
61 18F+3 -0.75334 -0.32264 -0.25909 -0.36359 0.02716
|
|
62 18F-3 0.43557 0.21943 0.81723 -0.23041 -0.14674
|
|
63 19G 0 0.00527 0.00685 -0.00855 -0.00584 0.02351
|
|
64 19G+1 0.00174 0.01590 -0.00174 0.00310 -0.02902
|
|
65 19G-1 -0.00956 -0.01949 0.02544 -0.00067 -0.02464
|
|
66 19G+2 0.00118 -0.00889 -0.02376 0.01679 -0.00822
|
|
67 19G-2 -0.00671 0.00054 0.00133 0.00600 0.06227
|
|
68 19G+3 0.00513 0.00510 0.01353 -0.01329 -0.00488
|
|
69 19G-3 -0.00332 0.01019 -0.04929 -0.00202 -0.00195
|
|
70 19G+4 0.00392 0.00614 0.00241 0.03124 0.00736
|
|
71 19G-4 -0.00562 -0.01614 0.00365 -0.00075 -0.01769
|
|
72 20G 0 -0.11638 -0.12734 0.03090 0.04942 -0.26674
|
|
73 20G+1 -0.09260 -0.18598 0.02235 0.01392 0.33209
|
|
74 20G-1 0.04182 0.16794 -0.23054 0.04226 0.24309
|
|
75 20G+2 0.02545 0.14295 0.24508 -0.16067 0.13524
|
|
76 20G-2 0.16855 0.07003 0.02691 -0.08503 -0.62067
|
|
77 20G+3 -0.05897 -0.01757 -0.14677 0.16593 0.07624
|
|
78 20G-3 0.28175 0.01315 0.54813 -0.04543 -0.04361
|
|
79 20G+4 -0.08264 -0.07380 -0.07709 -0.31693 -0.05338
|
|
80 20G-4 0.19747 0.26179 -0.00384 -0.05378 0.14655
|
|
81 21H 0 -0.00229 0.00127 -0.00993 -0.00250 -0.01620
|
|
82 21H+1 0.00965 0.00948 -0.00187 0.01470 -0.00324
|
|
83 21H-1 -0.00437 0.00102 -0.01270 0.00461 0.00171
|
|
84 21H+2 -0.00455 0.00771 0.00454 0.00620 0.01152
|
|
85 21H-2 -0.00304 0.00199 -0.00271 0.00765 -0.00009
|
|
86 21H+3 -0.01607 -0.01891 0.00125 -0.00475 0.00952
|
|
87 21H-3 0.01379 0.00657 0.00931 -0.01323 -0.01019
|
|
88 21H+4 -0.03980 -0.01629 -0.00833 -0.00240 0.00711
|
|
89 21H-4 0.01709 0.00204 0.01661 -0.00859 -0.01381
|
|
90 21H+5 -0.01158 -0.01935 -0.00607 0.00393 0.01277
|
|
91 21H-5 0.00421 0.00396 0.00802 -0.00970 -0.00170
|
|
92 2 O 1S -0.02911 0.02761 0.00681 -0.01575 -0.00862
|
|
93 2S 0.01514 -0.00184 -0.04170 0.03916 0.02354
|
|
94 3S -0.30045 0.36281 -0.11272 -0.07939 -0.00230
|
|
95 4S 0.64166 -1.19787 0.23385 1.14494 0.29363
|
|
96 5S 7.34903 -4.70366 -0.39372 -1.59123 -0.19601
|
|
97 6S 0.98859 -1.51452 1.89424 -1.02437 -0.11529
|
|
98 7PX -0.01128 0.02407 -0.01813 -0.01487 -0.00098
|
|
99 7PY -0.00135 -0.00780 0.01619 0.01017 0.02514
|
|
100 7PZ 0.00272 -0.00876 0.00825 0.00542 0.02603
|
|
101 8PX 0.03854 0.18896 -0.01190 -0.30353 0.03683
|
|
102 8PY 0.26715 -0.24453 0.62309 -0.26061 0.22382
|
|
103 8PZ -0.11167 0.01613 -0.02462 0.19612 0.23886
|
|
104 9PX -2.34812 1.63876 -0.48585 0.36367 -0.26356
|
|
105 9PY -1.57400 1.27088 -2.15604 0.83322 -0.62254
|
|
106 9PZ 1.88431 -1.45907 0.40781 -0.15010 -0.47676
|
|
107 10PX -2.24366 0.88143 0.58823 1.28079 0.64499
|
|
108 10PY -2.98146 0.33756 0.78431 1.06312 0.40814
|
|
109 10PZ 1.11765 -1.09905 0.70255 -0.57918 -1.50612
|
|
110 11PX -0.07520 0.09735 -0.09887 0.07813 0.06795
|
|
111 11PY -0.15782 -0.01037 0.20531 0.09737 0.06334
|
|
112 11PZ -0.00759 -0.10485 0.17569 -0.06840 -0.16773
|
|
113 12D 0 -0.00152 -0.00372 0.00711 -0.00486 -0.00284
|
|
114 12D+1 0.02311 -0.02225 0.00156 0.00520 0.00078
|
|
115 12D-1 -0.00414 -0.00218 -0.00764 0.00033 0.00676
|
|
116 12D+2 -0.02141 0.01695 0.00620 -0.02196 -0.00534
|
|
117 12D-2 0.00599 -0.00584 -0.00218 -0.01748 0.00566
|
|
118 13D 0 0.00735 0.03698 -0.07224 0.04206 -0.02697
|
|
119 13D+1 -0.04513 0.05949 0.01197 0.01715 0.02121
|
|
120 13D-1 0.01942 -0.00925 -0.01571 0.01098 -0.19103
|
|
121 13D+2 0.03583 -0.00848 -0.13856 0.12398 0.05765
|
|
122 13D-2 -0.06460 0.02217 0.13482 0.11282 -0.04033
|
|
123 14D 0 -0.20675 -0.00682 0.35886 0.10141 -0.44350
|
|
124 14D+1 -0.72687 0.61485 -0.29815 0.16099 0.25389
|
|
125 14D-1 -0.98556 0.47855 -0.46739 0.30584 -0.29629
|
|
126 14D+2 0.12903 -0.11063 0.26484 -0.38080 -0.04810
|
|
127 14D-2 1.42735 -0.87128 0.44994 -0.71452 0.36505
|
|
128 15D 0 0.08340 0.02905 -0.29298 0.20552 -0.63930
|
|
129 15D+1 -0.29589 0.00324 0.13023 0.60615 0.62200
|
|
130 15D-1 -1.06763 -0.10598 -0.00367 0.52209 -0.93989
|
|
131 15D+2 0.13538 0.43044 -1.21142 -0.35901 -0.49902
|
|
132 15D-2 0.78338 -0.24449 0.78524 -0.74449 0.23596
|
|
133 16F 0 0.01670 -0.02699 0.01467 0.02080 -0.00407
|
|
134 16F+1 0.00545 -0.00649 0.01077 0.01286 -0.01100
|
|
135 16F-1 -0.00040 -0.00894 0.01242 -0.02255 0.00798
|
|
136 16F+2 -0.02560 0.03280 0.01586 -0.00301 0.00429
|
|
137 16F-2 -0.02912 0.00634 0.02052 -0.01708 -0.00407
|
|
138 16F+3 -0.00088 0.00955 0.00461 0.01054 0.00606
|
|
139 16F-3 0.03435 -0.01447 -0.00812 -0.03408 0.00624
|
|
140 17F 0 -0.21379 0.29241 -0.14057 -0.23303 0.06867
|
|
141 17F+1 -0.08993 0.08749 -0.09154 -0.13676 0.04725
|
|
142 17F-1 0.01528 0.08659 -0.11598 0.20909 -0.07600
|
|
143 17F+2 0.33430 -0.41511 -0.11768 0.08744 0.00214
|
|
144 17F-2 0.24126 -0.08117 -0.21487 0.22777 0.01358
|
|
145 17F+3 -0.08446 -0.02572 -0.11515 -0.15139 -0.05048
|
|
146 17F-3 -0.28662 0.16089 0.07235 0.28210 -0.00626
|
|
147 18F 0 0.05463 0.06805 0.00671 0.24701 0.03418
|
|
148 18F+1 0.12850 -0.02345 -0.20355 0.10927 0.50642
|
|
149 18F-1 -0.11527 0.03830 -0.24526 0.01010 -0.46678
|
|
150 18F+2 -0.36395 0.54349 -0.08699 -0.29024 -0.04364
|
|
151 18F-2 0.69348 -0.23652 0.80161 -0.39372 0.49873
|
|
152 18F+3 0.75334 -0.32264 0.25909 0.36359 0.02716
|
|
153 18F-3 -0.43557 0.21943 -0.81723 0.23041 -0.14674
|
|
154 19G 0 0.00527 -0.00685 -0.00855 -0.00584 -0.02351
|
|
155 19G+1 -0.00174 0.01590 0.00174 -0.00310 -0.02902
|
|
156 19G-1 0.00956 -0.01949 -0.02544 0.00067 -0.02464
|
|
157 19G+2 0.00118 0.00889 -0.02376 0.01679 0.00822
|
|
158 19G-2 -0.00671 -0.00054 0.00133 0.00600 -0.06227
|
|
159 19G+3 -0.00513 0.00510 -0.01353 0.01329 -0.00488
|
|
160 19G-3 0.00332 0.01019 0.04929 0.00202 -0.00195
|
|
161 19G+4 0.00392 -0.00614 0.00241 0.03124 -0.00736
|
|
162 19G-4 -0.00562 0.01614 0.00365 -0.00075 0.01769
|
|
163 20G 0 -0.11638 0.12734 0.03090 0.04942 0.26674
|
|
164 20G+1 0.09260 -0.18598 -0.02235 -0.01392 0.33209
|
|
165 20G-1 -0.04182 0.16794 0.23054 -0.04226 0.24309
|
|
166 20G+2 0.02545 -0.14295 0.24508 -0.16067 -0.13524
|
|
167 20G-2 0.16855 -0.07003 0.02691 -0.08503 0.62067
|
|
168 20G+3 0.05897 -0.01757 0.14677 -0.16593 0.07624
|
|
169 20G-3 -0.28175 0.01315 -0.54813 0.04543 -0.04361
|
|
170 20G+4 -0.08264 0.07380 -0.07709 -0.31693 0.05338
|
|
171 20G-4 0.19747 -0.26179 -0.00384 -0.05378 -0.14655
|
|
172 21H 0 -0.00229 -0.00127 -0.00993 -0.00250 0.01620
|
|
173 21H+1 -0.00965 0.00948 0.00187 -0.01470 -0.00324
|
|
174 21H-1 0.00437 0.00102 0.01270 -0.00461 0.00171
|
|
175 21H+2 -0.00455 -0.00771 0.00454 0.00620 -0.01152
|
|
176 21H-2 -0.00304 -0.00199 -0.00271 0.00765 0.00009
|
|
177 21H+3 0.01607 -0.01891 -0.00125 0.00475 0.00952
|
|
178 21H-3 -0.01379 0.00657 -0.00931 0.01323 -0.01019
|
|
179 21H+4 -0.03980 0.01629 -0.00833 -0.00240 -0.00711
|
|
180 21H-4 0.01709 -0.00204 0.01661 -0.00859 0.01381
|
|
181 21H+5 0.01158 -0.01935 0.00607 -0.00393 0.01277
|
|
182 21H-5 -0.00421 0.00396 -0.00802 0.00970 -0.00170
|
|
183 3 H 1S 0.01575 0.03336 0.02936 0.02668 -0.00198
|
|
184 2S 0.95986 0.86373 -0.17657 0.54034 0.16112
|
|
185 3S -6.94687 -4.11945 -0.36825 2.24777 -1.41107
|
|
186 4S -1.68374 -2.10960 -1.69071 0.07568 -0.21287
|
|
187 5S 0.07943 0.17592 0.09423 0.13135 -0.02603
|
|
188 6PX 0.05892 0.07500 -0.00230 0.06885 0.00917
|
|
189 6PY -0.11128 -0.01446 0.06901 0.08058 0.01141
|
|
190 6PZ 0.04609 0.03199 -0.01493 0.01416 -0.00936
|
|
191 7PX -0.82091 -0.89014 -0.02671 -0.64068 -0.10564
|
|
192 7PY 1.01641 0.11796 -0.51234 -0.76185 -0.14215
|
|
193 7PZ -0.59684 -0.43039 0.15312 -0.14969 0.11995
|
|
194 8PX 4.86973 3.70027 1.16276 -0.07108 0.65254
|
|
195 8PY -2.52345 -0.52813 -0.74667 1.31634 1.33873
|
|
196 8PZ 3.06752 2.00954 -0.05719 -0.57245 -0.69457
|
|
197 9PX 1.39452 1.24478 0.72230 -0.15869 0.12922
|
|
198 9PY -0.76050 0.07723 0.41166 0.39588 0.17054
|
|
199 9PZ 0.97850 0.72920 0.16984 -0.20692 -0.11097
|
|
200 10D 0 -0.01822 -0.02128 0.00644 -0.01861 -0.03538
|
|
201 10D+1 0.09864 0.08531 -0.00075 0.01916 -0.01953
|
|
202 10D-1 -0.03362 -0.02799 -0.04714 0.01594 -0.01768
|
|
203 10D+2 0.07365 0.05974 0.04177 0.00529 -0.01719
|
|
204 10D-2 -0.03938 -0.02330 -0.07430 0.02304 0.08217
|
|
205 11D 0 0.16756 0.16817 -0.01593 0.12164 0.37393
|
|
206 11D+1 -1.04456 -0.85036 -0.18927 0.04053 0.18919
|
|
207 11D-1 0.27348 0.19235 0.44939 -0.07276 0.09681
|
|
208 11D+2 -0.81761 -0.60581 -0.58394 0.11407 0.12045
|
|
209 11D-2 0.28551 0.16781 0.66819 -0.09126 -0.73429
|
|
210 12D 0 -0.20150 0.19847 0.51511 0.34256 0.23510
|
|
211 12D+1 -1.61424 -1.23124 -0.29296 -0.00229 0.28621
|
|
212 12D-1 0.58033 0.05482 0.13853 -0.39190 0.11926
|
|
213 12D+2 -1.72819 -1.12240 -0.08419 0.08882 -0.01508
|
|
214 12D-2 1.14198 0.03244 -0.31966 -0.85087 -0.43320
|
|
215 13F 0 -0.01446 0.00323 -0.00309 0.02766 -0.01271
|
|
216 13F+1 0.00774 0.00480 -0.00580 -0.00173 -0.00914
|
|
217 13F-1 0.00150 0.01382 -0.00562 -0.00541 0.02137
|
|
218 13F+2 0.03377 0.01054 0.01281 -0.01529 -0.00601
|
|
219 13F-2 -0.00126 -0.00199 -0.01702 -0.01658 0.01980
|
|
220 13F+3 0.02559 0.01469 0.02691 -0.00716 0.02000
|
|
221 13F-3 -0.00170 0.01139 -0.00855 -0.01437 0.01283
|
|
222 14F 0 -0.33972 -0.45921 -0.16059 -0.29038 0.10844
|
|
223 14F+1 0.32057 0.15497 -0.05499 -0.11937 -0.21536
|
|
224 14F-1 0.00060 -0.11686 -0.11359 -0.06791 -0.43976
|
|
225 14F+2 0.87409 0.69300 0.21932 -0.04867 -0.02558
|
|
226 14F-2 -0.32515 -0.00810 -0.14046 0.36435 -0.05642
|
|
227 14F+3 0.71275 0.44258 0.05820 -0.17880 -0.19688
|
|
228 14F-3 -0.28164 -0.05424 0.05573 0.30910 0.35140
|
|
229 15G 0 0.01814 0.01364 0.00230 -0.00860 -0.00547
|
|
230 15G+1 0.01508 0.01606 0.00947 0.00354 0.00459
|
|
231 15G-1 -0.00417 -0.00913 0.00777 0.00782 0.01643
|
|
232 15G+2 -0.02882 -0.01517 0.00033 0.00025 0.01143
|
|
233 15G-2 0.00252 0.00482 0.01148 0.00155 0.01442
|
|
234 15G+3 -0.05593 -0.03587 -0.01313 0.01029 0.00869
|
|
235 15G-3 0.02219 0.00015 0.01188 -0.01103 -0.00831
|
|
236 15G+4 -0.03923 -0.01659 -0.01439 0.00718 0.00524
|
|
237 15G-4 0.01209 -0.00433 -0.00670 -0.00881 -0.03513
|
|
238 4 H 1S 0.01575 -0.03336 0.02936 0.02668 0.00198
|
|
239 2S 0.95986 -0.86373 -0.17657 0.54034 -0.16112
|
|
240 3S -6.94687 4.11945 -0.36825 2.24777 1.41107
|
|
241 4S -1.68374 2.10960 -1.69071 0.07568 0.21287
|
|
242 5S 0.07943 -0.17592 0.09423 0.13135 0.02603
|
|
243 6PX -0.05892 0.07500 0.00230 -0.06885 0.00917
|
|
244 6PY 0.11128 -0.01446 -0.06901 -0.08058 0.01141
|
|
245 6PZ 0.04609 -0.03199 -0.01493 0.01416 0.00936
|
|
246 7PX 0.82091 -0.89014 0.02671 0.64068 -0.10564
|
|
247 7PY -1.01641 0.11796 0.51234 0.76185 -0.14215
|
|
248 7PZ -0.59684 0.43039 0.15312 -0.14969 -0.11995
|
|
249 8PX -4.86973 3.70027 -1.16276 0.07108 0.65254
|
|
250 8PY 2.52345 -0.52813 0.74667 -1.31634 1.33873
|
|
251 8PZ 3.06752 -2.00954 -0.05719 -0.57245 0.69457
|
|
252 9PX -1.39452 1.24478 -0.72230 0.15869 0.12922
|
|
253 9PY 0.76050 0.07723 -0.41166 -0.39588 0.17054
|
|
254 9PZ 0.97850 -0.72920 0.16984 -0.20692 0.11097
|
|
255 10D 0 -0.01822 0.02128 0.00644 -0.01861 0.03538
|
|
256 10D+1 -0.09864 0.08531 0.00075 -0.01916 -0.01953
|
|
257 10D-1 0.03362 -0.02799 0.04714 -0.01594 -0.01768
|
|
258 10D+2 0.07365 -0.05974 0.04177 0.00529 0.01719
|
|
259 10D-2 -0.03938 0.02330 -0.07430 0.02304 -0.08217
|
|
260 11D 0 0.16756 -0.16817 -0.01593 0.12164 -0.37393
|
|
261 11D+1 1.04456 -0.85036 0.18927 -0.04053 0.18919
|
|
262 11D-1 -0.27348 0.19235 -0.44939 0.07276 0.09681
|
|
263 11D+2 -0.81761 0.60581 -0.58394 0.11407 -0.12045
|
|
264 11D-2 0.28551 -0.16781 0.66819 -0.09126 0.73429
|
|
265 12D 0 -0.20150 -0.19847 0.51511 0.34256 -0.23510
|
|
266 12D+1 1.61424 -1.23124 0.29296 0.00229 0.28621
|
|
267 12D-1 -0.58033 0.05482 -0.13853 0.39190 0.11926
|
|
268 12D+2 -1.72819 1.12240 -0.08419 0.08882 0.01508
|
|
269 12D-2 1.14198 -0.03244 -0.31966 -0.85087 0.43320
|
|
270 13F 0 -0.01446 -0.00323 -0.00309 0.02766 0.01271
|
|
271 13F+1 -0.00774 0.00480 0.00580 0.00173 -0.00914
|
|
272 13F-1 -0.00150 0.01382 0.00562 0.00541 0.02137
|
|
273 13F+2 0.03377 -0.01054 0.01281 -0.01529 0.00601
|
|
274 13F-2 -0.00126 0.00199 -0.01702 -0.01658 -0.01980
|
|
275 13F+3 -0.02559 0.01469 -0.02691 0.00716 0.02000
|
|
276 13F-3 0.00170 0.01139 0.00855 0.01437 0.01283
|
|
277 14F 0 -0.33972 0.45921 -0.16059 -0.29038 -0.10844
|
|
278 14F+1 -0.32057 0.15497 0.05499 0.11937 -0.21536
|
|
279 14F-1 -0.00060 -0.11686 0.11359 0.06791 -0.43976
|
|
280 14F+2 0.87409 -0.69300 0.21932 -0.04867 0.02558
|
|
281 14F-2 -0.32515 0.00810 -0.14046 0.36435 0.05642
|
|
282 14F+3 -0.71275 0.44258 -0.05820 0.17880 -0.19688
|
|
283 14F-3 0.28164 -0.05424 -0.05573 -0.30910 0.35140
|
|
284 15G 0 0.01814 -0.01364 0.00230 -0.00860 0.00547
|
|
285 15G+1 -0.01508 0.01606 -0.00947 -0.00354 0.00459
|
|
286 15G-1 0.00417 -0.00913 -0.00777 -0.00782 0.01643
|
|
287 15G+2 -0.02882 0.01517 0.00033 0.00025 -0.01143
|
|
288 15G-2 0.00252 -0.00482 0.01148 0.00155 -0.01442
|
|
289 15G+3 0.05593 -0.03587 0.01313 -0.01029 0.00869
|
|
290 15G-3 -0.02219 0.00015 -0.01188 0.01103 -0.00831
|
|
291 15G+4 -0.03923 0.01659 -0.01439 0.00718 -0.00524
|
|
292 15G-4 0.01209 0.00433 -0.00670 -0.00881 0.03513
|
|
131 132 133 134 135
|
|
V V V V V
|
|
Eigenvalues -- 6.99076 7.11076 7.17168 7.18397 7.23521
|
|
1 1 O 1S 0.00586 0.01267 0.01330 0.01928 0.00524
|
|
2 2S -0.02076 -0.01181 0.01100 -0.02602 0.01151
|
|
3 3S -0.07363 0.00244 0.12563 0.05438 0.08141
|
|
4 4S 0.50231 1.96370 1.24241 0.56657 0.42045
|
|
5 5S -1.25009 -11.79741 -10.30735 -6.06611 -4.00585
|
|
6 6S -0.66255 -6.40962 -6.05687 -2.39913 -2.42631
|
|
7 7PX 0.00209 -0.00067 0.00075 -0.00505 0.00460
|
|
8 7PY 0.03258 -0.02587 -0.00834 0.03273 -0.00021
|
|
9 7PZ -0.00142 0.00160 -0.00204 -0.00614 -0.01193
|
|
10 8PX 0.20683 0.75158 0.76183 0.43698 0.36997
|
|
11 8PY 0.33630 -0.26182 0.07627 0.35229 0.17092
|
|
12 8PZ 0.12636 0.53547 0.49417 0.25260 0.11900
|
|
13 9PX -0.41802 -4.08012 -4.12338 -2.55981 -1.80304
|
|
14 9PY -0.98053 0.28492 -0.71939 -1.27506 -0.81683
|
|
15 9PZ -0.42062 -2.84169 -2.69716 -1.46098 -1.10721
|
|
16 10PX -0.77108 -6.05129 -5.97753 -2.55308 -2.32914
|
|
17 10PY -1.35232 0.00861 -0.56071 -1.17876 0.05828
|
|
18 10PZ -0.54292 -4.10848 -4.00829 -1.24862 -1.08991
|
|
19 11PX -0.03011 -0.61251 -0.76853 -0.19956 -0.24268
|
|
20 11PY -0.04549 0.17816 -0.00316 -0.09866 0.06921
|
|
21 11PZ -0.02884 -0.38813 -0.51147 -0.13077 -0.14707
|
|
22 12D 0 -0.00015 0.00009 -0.00053 0.01368 -0.00895
|
|
23 12D+1 -0.01044 -0.00101 -0.00349 -0.00476 -0.00348
|
|
24 12D-1 -0.00740 0.00103 0.00155 0.00062 -0.00141
|
|
25 12D+2 0.00641 -0.00131 -0.00254 0.00165 -0.00358
|
|
26 12D-2 -0.00591 0.00019 -0.00165 -0.00378 -0.00073
|
|
27 13D 0 -0.00509 0.06160 0.03003 -0.19516 0.16462
|
|
28 13D+1 0.06183 0.02573 0.02684 0.04346 0.07218
|
|
29 13D-1 0.03954 0.04058 0.00288 -0.09337 0.02101
|
|
30 13D+2 -0.10624 0.10524 0.10220 -0.00222 0.01508
|
|
31 13D-2 -0.03303 0.03977 0.10000 -0.03893 -0.00746
|
|
32 14D 0 -0.02707 0.22535 0.07580 0.32917 0.02191
|
|
33 14D+1 -0.36249 -2.13020 -2.13665 -1.11718 -0.87644
|
|
34 14D-1 -0.50020 -0.12730 -0.23622 -0.56489 -0.21690
|
|
35 14D+2 0.12987 -1.36273 -1.56765 -0.66123 -0.77766
|
|
36 14D-2 -0.71164 -0.24269 -0.32874 -0.89914 -0.30530
|
|
37 15D 0 0.10284 0.48591 0.23050 -0.16684 0.69311
|
|
38 15D+1 -0.23105 -2.36028 -2.34585 -0.86627 -0.44256
|
|
39 15D-1 -0.39102 0.00922 -0.21127 -1.01508 0.07929
|
|
40 15D+2 -0.23985 -1.28896 -1.14225 -0.33508 -0.56386
|
|
41 15D-2 -1.01618 -0.16321 0.01824 -0.85634 -0.23397
|
|
42 16F 0 0.00596 -0.00091 -0.00127 0.00050 0.00508
|
|
43 16F+1 -0.00243 0.00786 -0.00179 -0.00794 0.02018
|
|
44 16F-1 0.03121 -0.00773 0.00030 0.01022 -0.01326
|
|
45 16F+2 -0.01027 0.02082 0.01225 -0.00552 0.00140
|
|
46 16F-2 0.02223 0.00158 0.01939 0.01895 -0.00844
|
|
47 16F+3 -0.00365 0.00920 0.02276 0.01249 -0.00002
|
|
48 16F-3 -0.00552 0.00282 -0.02136 0.00886 0.01779
|
|
49 17F 0 -0.07899 -0.01182 -0.00625 -0.02184 -0.07173
|
|
50 17F+1 0.02734 -0.06787 0.04379 0.10505 -0.23201
|
|
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|
|
283 14F-3 0.05199 -0.31579 0.17821 0.03354 0.05043
|
|
284 15G 0 -0.00501 0.02719 -0.03002 0.01160 -0.02279
|
|
285 15G+1 0.01502 -0.02647 0.03700 -0.01683 -0.00976
|
|
286 15G-1 0.00064 -0.01746 0.01000 -0.00668 -0.00380
|
|
287 15G+2 -0.02412 -0.02123 0.01892 -0.00967 0.02325
|
|
288 15G-2 0.02714 -0.01493 0.00414 0.01619 0.02912
|
|
289 15G+3 0.02427 0.02039 -0.02081 0.02156 -0.00148
|
|
290 15G-3 -0.01365 0.03265 -0.02921 0.00178 -0.01580
|
|
291 15G+4 0.00416 0.00761 -0.00437 -0.01971 -0.00862
|
|
292 15G-4 -0.00444 -0.01326 0.01630 -0.00837 -0.00128
|
|
136 137 138 139 140
|
|
V V V V V
|
|
Eigenvalues -- 7.32022 7.37501 7.42135 7.47849 7.50346
|
|
1 1 O 1S -0.00230 0.02543 -0.01109 0.00722 0.00731
|
|
2 2S 0.02484 -0.03132 0.02953 -0.00449 -0.01183
|
|
3 3S 0.04636 0.19557 0.00454 0.05831 0.03795
|
|
4 4S 0.29981 -0.42287 -0.27854 0.39778 0.38350
|
|
5 5S -1.05357 -5.33206 3.61180 -4.94824 -4.02314
|
|
6 6S -0.39560 -0.45808 0.75246 -1.29020 -1.19272
|
|
7 7PX -0.00536 0.00340 0.00973 0.01062 0.00167
|
|
8 7PY -0.00621 -0.00723 0.01206 -0.01010 -0.02726
|
|
9 7PZ 0.00946 -0.00060 0.00396 0.00798 0.01410
|
|
10 8PX 0.09199 0.49598 -0.05539 0.30538 0.27722
|
|
11 8PY -0.00235 0.42528 0.16515 0.03651 -0.04677
|
|
12 8PZ 0.12697 0.29663 -0.09310 0.22203 0.24879
|
|
13 9PX -0.34547 -2.98829 0.77209 -1.93128 -1.71177
|
|
14 9PY -0.18885 -1.21625 -0.56288 -0.37319 -0.08793
|
|
15 9PZ -0.36950 -1.95646 0.75665 -1.39485 -1.22759
|
|
16 10PX -0.97347 -4.19755 0.90919 -1.61256 -2.10962
|
|
17 10PY -0.57054 -5.52254 0.81630 -0.84969 -1.40223
|
|
18 10PZ -1.19003 -2.47192 1.26148 -1.10468 -1.86289
|
|
19 11PX -0.10248 -0.41615 0.11781 -0.18701 -0.22924
|
|
20 11PY -0.05498 -0.74289 0.20693 -0.13805 -0.13622
|
|
21 11PZ -0.04492 -0.29178 0.09805 -0.00245 -0.09640
|
|
22 12D 0 0.00249 -0.00971 0.00269 -0.00769 -0.01275
|
|
23 12D+1 -0.00561 0.00233 0.00349 -0.00192 0.00732
|
|
24 12D-1 -0.01033 -0.00214 -0.00239 0.01127 -0.00737
|
|
25 12D+2 0.00356 -0.01784 -0.00784 0.00152 -0.00625
|
|
26 12D-2 0.00194 0.00079 -0.00479 -0.00591 -0.00533
|
|
27 13D 0 -0.03197 0.04546 -0.00919 0.10903 0.12513
|
|
28 13D+1 0.04104 0.02240 -0.06125 0.10152 -0.06251
|
|
29 13D-1 0.13760 0.02438 0.00571 -0.15925 0.11392
|
|
30 13D+2 -0.07684 0.10157 0.11926 0.02397 0.09228
|
|
31 13D-2 0.02452 -0.00873 0.09057 0.10333 0.15541
|
|
32 14D 0 -0.04294 -0.11556 0.04435 -0.02813 -0.16415
|
|
33 14D+1 -0.36115 -1.37070 0.51805 -0.78838 -0.82007
|
|
34 14D-1 -0.21068 -0.41409 0.08645 -0.14173 -0.18160
|
|
35 14D+2 -0.15534 -1.45224 0.02380 -0.61673 -0.74065
|
|
36 14D-2 -0.05631 -0.58802 0.13252 -0.32735 -0.11413
|
|
37 15D 0 -0.02997 -0.64155 0.58358 0.06299 -0.58899
|
|
38 15D+1 -0.62335 -1.22965 0.70352 -0.29461 -1.01112
|
|
39 15D-1 0.21380 -0.60570 -0.06469 -0.58989 -0.17372
|
|
40 15D+2 -0.76184 -2.67699 0.77846 -0.35841 -0.83347
|
|
41 15D-2 0.15492 -0.83448 0.52787 -0.34648 0.13660
|
|
42 16F 0 0.02236 -0.01394 -0.02371 -0.04382 -0.04220
|
|
43 16F+1 0.01687 0.02503 0.02462 -0.00361 -0.01105
|
|
44 16F-1 -0.02558 0.01568 -0.07115 0.03174 0.05667
|
|
45 16F+2 -0.02412 0.00415 -0.02245 0.00336 0.00369
|
|
46 16F-2 0.01915 -0.04195 -0.02831 0.01137 0.00115
|
|
47 16F+3 0.03945 0.01681 -0.00522 -0.00278 0.01423
|
|
48 16F-3 0.01365 0.04233 0.01691 -0.02655 -0.02363
|
|
49 17F 0 -0.20586 0.12759 0.20379 0.43129 0.45972
|
|
50 17F+1 -0.13833 -0.26259 -0.22893 0.03502 0.13925
|
|
51 17F-1 0.25828 -0.20763 0.68363 -0.31126 -0.59504
|
|
52 17F+2 0.26918 -0.05768 0.20979 -0.06975 -0.00648
|
|
53 17F-2 -0.18594 0.40109 0.30495 -0.11407 -0.03100
|
|
54 17F+3 -0.33964 -0.16575 0.06876 0.02764 -0.15520
|
|
55 17F-3 -0.13308 -0.48262 -0.16169 0.26592 0.19610
|
|
56 18F 0 0.49296 0.30698 -0.02130 -0.21812 -0.16671
|
|
57 18F+1 -0.08178 0.14507 0.44849 0.10454 -0.51623
|
|
58 18F-1 -0.35554 0.61531 -0.67505 -0.19206 0.34915
|
|
59 18F+2 -0.38332 -0.49058 0.10193 -0.03459 -0.41177
|
|
60 18F-2 0.13249 -0.63354 -0.35037 -0.34996 0.08384
|
|
61 18F+3 -0.04310 -0.19673 0.32735 -0.24665 0.03239
|
|
62 18F-3 0.56844 0.56115 0.04918 -0.21472 0.34346
|
|
63 19G 0 -0.01255 -0.01529 -0.00020 0.01835 -0.00654
|
|
64 19G+1 -0.02346 -0.00714 -0.00894 0.00180 0.01572
|
|
65 19G-1 0.04516 -0.00731 -0.00197 0.00171 0.01350
|
|
66 19G+2 0.00358 -0.05075 0.01122 -0.03353 0.00958
|
|
67 19G-2 0.01810 -0.00289 0.04632 0.05035 0.00795
|
|
68 19G+3 0.02148 -0.00360 -0.00791 -0.01764 -0.00662
|
|
69 19G-3 -0.03281 -0.00290 -0.00333 -0.00422 -0.02114
|
|
70 19G+4 0.00699 -0.03852 0.00449 0.01985 -0.01924
|
|
71 19G-4 -0.01122 -0.00029 -0.00335 -0.00620 -0.02619
|
|
72 20G 0 0.16302 0.25402 -0.01879 -0.13065 0.15513
|
|
73 20G+1 0.25538 0.17729 0.09561 0.04155 -0.12819
|
|
74 20G-1 -0.48052 0.10234 0.02613 -0.02939 -0.16501
|
|
75 20G+2 -0.06475 0.46491 -0.04805 0.34121 -0.19932
|
|
76 20G-2 -0.19466 -0.02154 -0.46563 -0.62134 -0.12781
|
|
77 20G+3 -0.26832 -0.07820 0.13157 0.12303 -0.01095
|
|
78 20G-3 0.35289 -0.11542 0.07948 -0.05076 0.19221
|
|
79 20G+4 -0.10042 0.36709 0.01833 -0.25118 0.19119
|
|
80 20G-4 0.13989 -0.12026 0.06267 0.04953 0.32598
|
|
81 21H 0 0.01204 -0.00300 -0.00756 -0.00656 0.01742
|
|
82 21H+1 0.00747 0.01206 0.00245 0.00437 0.00285
|
|
83 21H-1 0.00428 0.00502 -0.00935 0.00346 -0.01095
|
|
84 21H+2 0.00636 0.01260 -0.00463 -0.00781 -0.00189
|
|
85 21H-2 0.00072 -0.00412 -0.00142 0.00162 0.00033
|
|
86 21H+3 -0.00666 0.00536 0.01152 0.01002 -0.01561
|
|
87 21H-3 0.00212 -0.00954 -0.00813 -0.00247 -0.00691
|
|
88 21H+4 -0.01659 0.00523 -0.00816 -0.00542 0.00110
|
|
89 21H-4 0.00874 -0.02455 0.00161 -0.00546 -0.00053
|
|
90 21H+5 0.00818 0.01020 -0.00591 0.00149 -0.00306
|
|
91 21H-5 0.00663 -0.01603 0.00468 -0.00643 0.00534
|
|
92 2 O 1S 0.00230 -0.02543 -0.01109 0.00722 -0.00731
|
|
93 2S -0.02484 0.03132 0.02953 -0.00449 0.01183
|
|
94 3S -0.04636 -0.19557 0.00454 0.05831 -0.03795
|
|
95 4S -0.29981 0.42287 -0.27854 0.39778 -0.38350
|
|
96 5S 1.05357 5.33206 3.61180 -4.94824 4.02314
|
|
97 6S 0.39560 0.45808 0.75246 -1.29020 1.19272
|
|
98 7PX -0.00536 0.00340 -0.00973 -0.01062 0.00167
|
|
99 7PY -0.00621 -0.00723 -0.01206 0.01010 -0.02726
|
|
100 7PZ -0.00946 0.00060 0.00396 0.00798 -0.01410
|
|
101 8PX 0.09199 0.49598 0.05539 -0.30538 0.27722
|
|
102 8PY -0.00235 0.42528 -0.16515 -0.03651 -0.04677
|
|
103 8PZ -0.12697 -0.29663 -0.09310 0.22203 -0.24879
|
|
104 9PX -0.34547 -2.98829 -0.77209 1.93128 -1.71177
|
|
105 9PY -0.18885 -1.21625 0.56288 0.37319 -0.08793
|
|
106 9PZ 0.36950 1.95646 0.75665 -1.39485 1.22759
|
|
107 10PX -0.97347 -4.19755 -0.90919 1.61256 -2.10962
|
|
108 10PY -0.57054 -5.52254 -0.81630 0.84969 -1.40223
|
|
109 10PZ 1.19003 2.47192 1.26148 -1.10468 1.86289
|
|
110 11PX -0.10248 -0.41615 -0.11781 0.18701 -0.22924
|
|
111 11PY -0.05498 -0.74289 -0.20693 0.13805 -0.13622
|
|
112 11PZ 0.04492 0.29178 0.09805 -0.00245 0.09640
|
|
113 12D 0 -0.00249 0.00971 0.00269 -0.00769 0.01275
|
|
114 12D+1 -0.00561 0.00233 -0.00349 0.00192 0.00732
|
|
115 12D-1 -0.01033 -0.00214 0.00239 -0.01127 -0.00737
|
|
116 12D+2 -0.00356 0.01784 -0.00784 0.00152 0.00625
|
|
117 12D-2 -0.00194 -0.00079 -0.00479 -0.00591 0.00533
|
|
118 13D 0 0.03197 -0.04546 -0.00919 0.10903 -0.12513
|
|
119 13D+1 0.04104 0.02240 0.06125 -0.10152 -0.06251
|
|
120 13D-1 0.13760 0.02438 -0.00571 0.15925 0.11392
|
|
121 13D+2 0.07684 -0.10157 0.11926 0.02397 -0.09228
|
|
122 13D-2 -0.02452 0.00873 0.09057 0.10333 -0.15541
|
|
123 14D 0 0.04294 0.11556 0.04435 -0.02813 0.16415
|
|
124 14D+1 -0.36115 -1.37070 -0.51805 0.78838 -0.82007
|
|
125 14D-1 -0.21068 -0.41409 -0.08645 0.14173 -0.18160
|
|
126 14D+2 0.15534 1.45224 0.02380 -0.61673 0.74065
|
|
127 14D-2 0.05631 0.58802 0.13252 -0.32735 0.11413
|
|
128 15D 0 0.02997 0.64155 0.58358 0.06299 0.58899
|
|
129 15D+1 -0.62335 -1.22965 -0.70352 0.29461 -1.01112
|
|
130 15D-1 0.21380 -0.60570 0.06469 0.58989 -0.17372
|
|
131 15D+2 0.76184 2.67699 0.77846 -0.35841 0.83347
|
|
132 15D-2 -0.15492 0.83448 0.52787 -0.34648 -0.13660
|
|
133 16F 0 -0.02236 0.01394 -0.02371 -0.04382 0.04220
|
|
134 16F+1 0.01687 0.02503 -0.02462 0.00361 -0.01105
|
|
135 16F-1 -0.02558 0.01568 0.07115 -0.03174 0.05667
|
|
136 16F+2 0.02412 -0.00415 -0.02245 0.00336 -0.00369
|
|
137 16F-2 -0.01915 0.04195 -0.02831 0.01137 -0.00115
|
|
138 16F+3 0.03945 0.01681 0.00522 0.00278 0.01423
|
|
139 16F-3 0.01365 0.04233 -0.01691 0.02655 -0.02363
|
|
140 17F 0 0.20586 -0.12759 0.20379 0.43129 -0.45972
|
|
141 17F+1 -0.13833 -0.26259 0.22893 -0.03502 0.13925
|
|
142 17F-1 0.25828 -0.20763 -0.68363 0.31126 -0.59504
|
|
143 17F+2 -0.26918 0.05768 0.20979 -0.06975 0.00648
|
|
144 17F-2 0.18594 -0.40109 0.30495 -0.11407 0.03100
|
|
145 17F+3 -0.33964 -0.16575 -0.06876 -0.02764 -0.15520
|
|
146 17F-3 -0.13308 -0.48262 0.16169 -0.26592 0.19610
|
|
147 18F 0 -0.49296 -0.30698 -0.02130 -0.21812 0.16671
|
|
148 18F+1 -0.08178 0.14507 -0.44849 -0.10454 -0.51623
|
|
149 18F-1 -0.35554 0.61531 0.67505 0.19206 0.34915
|
|
150 18F+2 0.38332 0.49058 0.10193 -0.03459 0.41177
|
|
151 18F-2 -0.13249 0.63354 -0.35037 -0.34996 -0.08384
|
|
152 18F+3 -0.04310 -0.19673 -0.32735 0.24665 0.03239
|
|
153 18F-3 0.56844 0.56115 -0.04918 0.21472 0.34346
|
|
154 19G 0 0.01255 0.01529 -0.00020 0.01835 0.00654
|
|
155 19G+1 -0.02346 -0.00714 0.00894 -0.00180 0.01572
|
|
156 19G-1 0.04516 -0.00731 0.00197 -0.00171 0.01350
|
|
157 19G+2 -0.00358 0.05075 0.01122 -0.03353 -0.00958
|
|
158 19G-2 -0.01810 0.00289 0.04632 0.05035 -0.00795
|
|
159 19G+3 0.02148 -0.00360 0.00791 0.01764 -0.00662
|
|
160 19G-3 -0.03281 -0.00290 0.00333 0.00422 -0.02114
|
|
161 19G+4 -0.00699 0.03852 0.00449 0.01985 0.01924
|
|
162 19G-4 0.01122 0.00029 -0.00335 -0.00620 0.02619
|
|
163 20G 0 -0.16302 -0.25402 -0.01879 -0.13065 -0.15513
|
|
164 20G+1 0.25538 0.17729 -0.09561 -0.04155 -0.12819
|
|
165 20G-1 -0.48052 0.10234 -0.02613 0.02939 -0.16501
|
|
166 20G+2 0.06475 -0.46491 -0.04805 0.34121 0.19932
|
|
167 20G-2 0.19466 0.02154 -0.46563 -0.62134 0.12781
|
|
168 20G+3 -0.26832 -0.07820 -0.13157 -0.12303 -0.01095
|
|
169 20G-3 0.35289 -0.11542 -0.07948 0.05076 0.19221
|
|
170 20G+4 0.10042 -0.36709 0.01833 -0.25118 -0.19119
|
|
171 20G-4 -0.13989 0.12026 0.06267 0.04953 -0.32598
|
|
172 21H 0 -0.01204 0.00300 -0.00756 -0.00656 -0.01742
|
|
173 21H+1 0.00747 0.01206 -0.00245 -0.00437 0.00285
|
|
174 21H-1 0.00428 0.00502 0.00935 -0.00346 -0.01095
|
|
175 21H+2 -0.00636 -0.01260 -0.00463 -0.00781 0.00189
|
|
176 21H-2 -0.00072 0.00412 -0.00142 0.00162 -0.00033
|
|
177 21H+3 -0.00666 0.00536 -0.01152 -0.01002 -0.01561
|
|
178 21H-3 0.00212 -0.00954 0.00813 0.00247 -0.00691
|
|
179 21H+4 0.01659 -0.00523 -0.00816 -0.00542 -0.00110
|
|
180 21H-4 -0.00874 0.02455 0.00161 -0.00546 0.00053
|
|
181 21H+5 0.00818 0.01020 0.00591 -0.00149 -0.00306
|
|
182 21H-5 0.00663 -0.01603 -0.00468 0.00643 0.00534
|
|
183 3 H 1S 0.00833 0.03972 -0.01110 0.02547 0.03071
|
|
184 2S 0.13531 -0.71422 0.27001 -0.56430 -0.64541
|
|
185 3S 2.52162 10.23535 -3.49250 5.11446 5.97488
|
|
186 4S -0.16409 2.73754 -0.79383 1.19404 1.38177
|
|
187 5S 0.10889 0.20296 -0.00680 0.02436 0.08986
|
|
188 6PX 0.00574 0.03119 0.02144 0.00458 0.03150
|
|
189 6PY 0.05553 0.00566 -0.02111 -0.00395 0.01582
|
|
190 6PZ 0.01510 0.04281 -0.03264 0.02004 -0.01434
|
|
191 7PX -0.03941 0.02141 -0.31242 0.17008 -0.03957
|
|
192 7PY -0.45029 -0.08215 0.13809 0.02919 -0.10506
|
|
193 7PZ -0.14578 -0.11600 0.23841 -0.04553 0.17676
|
|
194 8PX -0.82022 -4.22092 1.86307 -2.63773 -2.77599
|
|
195 8PY -0.47253 -0.43790 0.44592 -0.12604 -1.16368
|
|
196 8PZ -0.24555 -3.13467 0.45344 -1.73055 -1.19275
|
|
197 9PX 0.00928 -1.74164 0.63680 -0.89603 -0.92585
|
|
198 9PY 0.08849 -0.00374 -0.02154 0.10867 -0.31726
|
|
199 9PZ 0.02333 -1.29678 0.17482 -0.68949 -0.47467
|
|
200 10D 0 0.01821 0.01385 0.00389 -0.00139 0.03336
|
|
201 10D+1 0.00141 -0.08907 0.02955 -0.04018 -0.05044
|
|
202 10D-1 -0.03879 -0.01159 0.00651 -0.06087 -0.05679
|
|
203 10D+2 0.01530 -0.04080 0.03226 -0.03710 -0.00990
|
|
204 10D-2 -0.00599 -0.02934 0.01841 0.02195 -0.03882
|
|
205 11D 0 -0.21228 -0.04515 -0.03414 0.03205 -0.38792
|
|
206 11D+1 0.13518 1.10069 -0.29185 0.51969 0.49741
|
|
207 11D-1 0.42468 0.14817 -0.09310 0.46748 0.45093
|
|
208 11D+2 -0.04599 0.57553 -0.27363 0.47953 0.27371
|
|
209 11D-2 0.22428 0.26156 -0.24438 -0.13656 0.45051
|
|
210 12D 0 -0.09530 0.10357 0.21428 0.05140 -0.12777
|
|
211 12D+1 -0.03930 0.94073 -0.11252 0.59122 0.37908
|
|
212 12D-1 -0.03160 0.08825 0.33509 0.17360 0.10089
|
|
213 12D+2 0.14629 0.81060 -0.50815 0.72916 0.33846
|
|
214 12D-2 -0.29433 -0.03988 -0.35781 0.01338 0.22498
|
|
215 13F 0 0.02076 0.03319 -0.01388 -0.00313 0.00814
|
|
216 13F+1 0.00384 -0.04318 0.01188 -0.02481 0.02605
|
|
217 13F-1 -0.01313 -0.01833 -0.01795 0.03282 0.02722
|
|
218 13F+2 0.00126 -0.04845 0.00195 -0.04636 -0.03787
|
|
219 13F-2 -0.02678 0.00051 0.00334 0.01340 0.00652
|
|
220 13F+3 0.01952 -0.02324 -0.02913 -0.01742 -0.04010
|
|
221 13F-3 -0.03799 0.01340 0.01709 -0.02790 -0.05779
|
|
222 14F 0 0.07911 0.18498 0.08001 0.07279 0.18307
|
|
223 14F+1 0.06946 -0.08845 -0.08534 0.04082 -0.08827
|
|
224 14F-1 -0.11530 -0.06815 -0.12917 -0.37230 -0.12986
|
|
225 14F+2 -0.05022 -0.30079 0.19978 -0.11054 -0.01352
|
|
226 14F-2 -0.02594 -0.06382 -0.06770 -0.27582 -0.16090
|
|
227 14F+3 -0.16823 -0.19698 0.17544 -0.29296 0.00234
|
|
228 14F-3 0.26028 -0.13158 0.26955 0.09601 0.05330
|
|
229 15G 0 -0.01377 -0.02926 -0.00004 -0.00517 0.00356
|
|
230 15G+1 -0.02591 -0.02212 0.00528 0.00578 -0.02396
|
|
231 15G-1 -0.00009 0.00732 0.01669 0.00728 -0.00817
|
|
232 15G+2 -0.00549 0.03464 -0.01830 0.00533 0.00151
|
|
233 15G-2 0.02081 0.00607 0.02317 0.01435 -0.00829
|
|
234 15G+3 -0.01638 0.01848 -0.00383 0.02088 0.01496
|
|
235 15G-3 0.00519 -0.00475 0.00033 0.00867 0.01535
|
|
236 15G+4 -0.00257 0.01497 0.01280 0.02713 -0.00384
|
|
237 15G-4 -0.00259 -0.00853 -0.01773 0.00648 0.02534
|
|
238 4 H 1S -0.00833 -0.03972 -0.01110 0.02547 -0.03071
|
|
239 2S -0.13531 0.71422 0.27001 -0.56430 0.64541
|
|
240 3S -2.52162 -10.23535 -3.49250 5.11446 -5.97488
|
|
241 4S 0.16409 -2.73754 -0.79383 1.19404 -1.38177
|
|
242 5S -0.10889 -0.20296 -0.00680 0.02436 -0.08986
|
|
243 6PX 0.00574 0.03119 -0.02144 -0.00458 0.03150
|
|
244 6PY 0.05553 0.00566 0.02111 0.00395 0.01582
|
|
245 6PZ -0.01510 -0.04281 -0.03264 0.02004 0.01434
|
|
246 7PX -0.03941 0.02141 0.31242 -0.17008 -0.03957
|
|
247 7PY -0.45029 -0.08215 -0.13809 -0.02919 -0.10506
|
|
248 7PZ 0.14578 0.11600 0.23841 -0.04553 -0.17676
|
|
249 8PX -0.82022 -4.22092 -1.86307 2.63773 -2.77599
|
|
250 8PY -0.47253 -0.43790 -0.44592 0.12604 -1.16368
|
|
251 8PZ 0.24555 3.13467 0.45344 -1.73055 1.19275
|
|
252 9PX 0.00928 -1.74164 -0.63680 0.89603 -0.92585
|
|
253 9PY 0.08849 -0.00374 0.02154 -0.10867 -0.31726
|
|
254 9PZ -0.02333 1.29678 0.17482 -0.68949 0.47467
|
|
255 10D 0 -0.01821 -0.01385 0.00389 -0.00139 -0.03336
|
|
256 10D+1 0.00141 -0.08907 -0.02955 0.04018 -0.05044
|
|
257 10D-1 -0.03879 -0.01159 -0.00651 0.06087 -0.05679
|
|
258 10D+2 -0.01530 0.04080 0.03226 -0.03710 0.00990
|
|
259 10D-2 0.00599 0.02934 0.01841 0.02195 0.03882
|
|
260 11D 0 0.21228 0.04515 -0.03414 0.03205 0.38792
|
|
261 11D+1 0.13518 1.10069 0.29185 -0.51969 0.49741
|
|
262 11D-1 0.42468 0.14817 0.09310 -0.46748 0.45093
|
|
263 11D+2 0.04599 -0.57553 -0.27363 0.47953 -0.27371
|
|
264 11D-2 -0.22428 -0.26156 -0.24438 -0.13656 -0.45051
|
|
265 12D 0 0.09530 -0.10357 0.21428 0.05140 0.12777
|
|
266 12D+1 -0.03930 0.94073 0.11252 -0.59122 0.37908
|
|
267 12D-1 -0.03160 0.08825 -0.33509 -0.17360 0.10089
|
|
268 12D+2 -0.14629 -0.81060 -0.50815 0.72916 -0.33846
|
|
269 12D-2 0.29433 0.03988 -0.35781 0.01338 -0.22498
|
|
270 13F 0 -0.02076 -0.03319 -0.01388 -0.00313 -0.00814
|
|
271 13F+1 0.00384 -0.04318 -0.01188 0.02481 0.02605
|
|
272 13F-1 -0.01313 -0.01833 0.01795 -0.03282 0.02722
|
|
273 13F+2 -0.00126 0.04845 0.00195 -0.04636 0.03787
|
|
274 13F-2 0.02678 -0.00051 0.00334 0.01340 -0.00652
|
|
275 13F+3 0.01952 -0.02324 0.02913 0.01742 -0.04010
|
|
276 13F-3 -0.03799 0.01340 -0.01709 0.02790 -0.05779
|
|
277 14F 0 -0.07911 -0.18498 0.08001 0.07279 -0.18307
|
|
278 14F+1 0.06946 -0.08845 0.08534 -0.04082 -0.08827
|
|
279 14F-1 -0.11530 -0.06815 0.12917 0.37230 -0.12986
|
|
280 14F+2 0.05022 0.30079 0.19978 -0.11054 0.01352
|
|
281 14F-2 0.02594 0.06382 -0.06770 -0.27582 0.16090
|
|
282 14F+3 -0.16823 -0.19698 -0.17544 0.29296 0.00234
|
|
283 14F-3 0.26028 -0.13158 -0.26955 -0.09601 0.05330
|
|
284 15G 0 0.01377 0.02926 -0.00004 -0.00517 -0.00356
|
|
285 15G+1 -0.02591 -0.02212 -0.00528 -0.00578 -0.02396
|
|
286 15G-1 -0.00009 0.00732 -0.01669 -0.00728 -0.00817
|
|
287 15G+2 0.00549 -0.03464 -0.01830 0.00533 -0.00151
|
|
288 15G-2 -0.02081 -0.00607 0.02317 0.01435 0.00829
|
|
289 15G+3 -0.01638 0.01848 0.00383 -0.02088 0.01496
|
|
290 15G-3 0.00519 -0.00475 -0.00033 -0.00867 0.01535
|
|
291 15G+4 0.00257 -0.01497 0.01280 0.02713 0.00384
|
|
292 15G-4 0.00259 0.00853 -0.01773 0.00648 -0.02534
|
|
141 142 143 144 145
|
|
V V V V V
|
|
Eigenvalues -- 7.58480 7.60871 7.61267 7.70185 7.70578
|
|
1 1 O 1S 0.00760 -0.03365 0.00662 0.01557 -0.01595
|
|
2 2S -0.03810 0.04829 0.00497 -0.00568 0.05927
|
|
3 3S -0.04887 -0.13571 0.10439 0.13344 0.06787
|
|
4 4S -0.06895 -1.56414 -0.05000 0.76390 -0.28590
|
|
5 5S -0.53064 17.01699 -2.48146 -9.20346 3.58198
|
|
6 6S -0.73841 6.96179 -0.27519 -3.05730 -0.21781
|
|
7 7PX 0.00550 -0.01997 0.00321 0.01127 -0.00571
|
|
8 7PY 0.00367 -0.00764 -0.00292 -0.00572 0.00153
|
|
9 7PZ 0.00173 -0.01419 0.00068 0.00727 -0.01014
|
|
10 8PX 0.14007 -0.93567 0.15375 0.49631 -0.15893
|
|
11 8PY 0.11899 -0.05418 0.11390 0.04519 0.11933
|
|
12 8PZ 0.12960 -0.61610 0.11465 0.35039 -0.16332
|
|
13 9PX -1.03092 6.46546 -1.22885 -3.40571 0.91512
|
|
14 9PY -0.68437 1.22309 -0.41124 -0.58626 -0.44193
|
|
15 9PZ -0.67782 4.32865 -0.44387 -2.34234 1.01659
|
|
16 10PX 1.63134 5.06167 -1.02138 -3.62655 2.21558
|
|
17 10PY 0.57090 -1.66192 -1.31749 -0.44352 1.31405
|
|
18 10PZ -0.26397 2.98961 -3.07123 -2.97763 0.49086
|
|
19 11PX 0.04234 0.41113 0.00586 -0.24768 0.04553
|
|
20 11PY 0.15856 -0.23275 -0.09451 -0.02499 0.08234
|
|
21 11PZ -0.08582 0.22260 -0.17223 -0.13185 -0.06031
|
|
22 12D 0 -0.00911 -0.00259 -0.00401 0.00590 -0.00364
|
|
23 12D+1 0.00924 -0.00408 0.00049 -0.00181 -0.01183
|
|
24 12D-1 -0.00443 0.00404 -0.00250 0.00344 0.00934
|
|
25 12D+2 -0.00825 -0.00997 -0.00032 0.00217 -0.01430
|
|
26 12D-2 -0.00132 -0.00050 0.00324 -0.00182 0.00747
|
|
27 13D 0 0.12168 0.00411 0.03004 -0.07197 0.03977
|
|
28 13D+1 -0.11268 -0.16654 0.04361 0.14961 0.08911
|
|
29 13D-1 0.11297 -0.07538 0.15200 0.02705 -0.18950
|
|
30 13D+2 0.14868 -0.08778 0.01871 0.06073 0.10754
|
|
31 13D-2 -0.04943 -0.07134 -0.03124 0.05138 -0.22237
|
|
32 14D 0 -0.22617 -0.30575 -0.06941 0.16846 -0.10021
|
|
33 14D+1 -0.33344 2.63244 -0.51734 -1.54257 0.42371
|
|
34 14D-1 -0.03817 0.68336 -0.18275 -0.30599 0.14564
|
|
35 14D+2 -0.40757 1.64244 -0.41188 -1.04405 0.01714
|
|
36 14D-2 -0.06785 0.90559 -0.19710 -0.47625 0.25431
|
|
37 15D 0 0.08548 -0.76914 -0.36883 0.02538 0.18949
|
|
38 15D+1 0.02506 1.01208 -0.48423 -0.88332 0.24728
|
|
39 15D-1 0.22065 0.68897 1.55517 0.54332 0.21096
|
|
40 15D+2 0.69903 -0.16668 -0.48366 -0.57960 0.39143
|
|
41 15D-2 -1.31387 0.49145 -0.31305 -0.19993 -0.88816
|
|
42 16F 0 -0.05100 0.04573 0.05137 0.01551 0.02010
|
|
43 16F+1 -0.00639 -0.02319 -0.02445 -0.00129 -0.02739
|
|
44 16F-1 -0.00763 0.02659 0.00040 0.03968 -0.02456
|
|
45 16F+2 0.02660 -0.02425 0.04623 0.03275 -0.00134
|
|
46 16F-2 0.00257 -0.00623 -0.00412 0.02846 0.01908
|
|
47 16F+3 -0.05358 -0.00695 0.01270 0.00905 -0.03558
|
|
48 16F-3 -0.02280 -0.03155 0.01503 -0.02306 -0.00566
|
|
49 17F 0 0.51082 -0.51172 -0.52540 -0.16386 -0.21027
|
|
50 17F+1 0.07631 0.25452 0.26174 -0.02683 0.31368
|
|
51 17F-1 0.07012 -0.28799 -0.02230 -0.37980 0.21355
|
|
52 17F+2 -0.27343 0.29092 -0.52287 -0.37980 0.07604
|
|
53 17F-2 -0.03096 0.08555 0.06121 -0.30512 -0.25618
|
|
54 17F+3 0.58977 0.10285 -0.16109 -0.09680 0.42191
|
|
55 17F-3 0.19968 0.30269 -0.15547 0.19837 -0.02055
|
|
56 18F 0 -0.25185 0.33604 0.90889 0.56992 0.09894
|
|
57 18F+1 -0.37597 0.00168 -0.40922 0.04642 -0.40406
|
|
58 18F-1 -0.01885 0.78410 -0.12676 0.33963 -0.41331
|
|
59 18F+2 0.12339 0.37602 1.04277 0.24529 -0.07230
|
|
60 18F-2 0.23275 0.26667 -0.25777 0.01378 0.13822
|
|
61 18F+3 -0.91130 0.43547 0.10850 -0.27353 -1.25680
|
|
62 18F-3 -0.29602 0.48539 0.24488 -0.48528 0.17017
|
|
63 19G 0 0.00552 -0.06040 0.01190 -0.00358 -0.00736
|
|
64 19G+1 -0.00554 -0.04201 0.02006 0.00147 0.00491
|
|
65 19G-1 -0.00914 -0.01586 0.04526 0.01976 0.01359
|
|
66 19G+2 0.01339 0.01052 0.00795 -0.05563 0.01460
|
|
67 19G-2 -0.03885 0.00184 0.01073 -0.00731 0.01034
|
|
68 19G+3 -0.01631 0.02767 -0.01432 -0.01860 0.03747
|
|
69 19G-3 -0.01299 0.01817 0.03327 0.00297 0.00690
|
|
70 19G+4 0.00287 -0.01248 -0.03209 0.03735 0.02526
|
|
71 19G-4 -0.02734 0.01373 -0.00643 -0.00512 -0.05232
|
|
72 20G 0 0.00515 0.49421 -0.10337 0.13150 0.03328
|
|
73 20G+1 0.09002 0.30867 -0.22464 0.08659 -0.09999
|
|
74 20G-1 0.13667 0.13242 -0.45875 -0.18916 -0.19946
|
|
75 20G+2 -0.17581 0.08955 -0.15779 0.52154 -0.13277
|
|
76 20G-2 0.42467 0.06967 -0.16664 0.02840 -0.11595
|
|
77 20G+3 0.15289 -0.02512 0.10453 0.05242 -0.39644
|
|
78 20G-3 0.16671 0.00712 -0.40302 -0.13655 -0.02600
|
|
79 20G+4 0.02061 0.28005 0.35555 -0.52611 -0.27849
|
|
80 20G-4 0.26420 -0.01377 0.03026 -0.02560 0.61151
|
|
81 21H 0 -0.00313 -0.00450 -0.00249 -0.00843 0.00529
|
|
82 21H+1 -0.00081 -0.00439 0.00293 0.00453 0.00296
|
|
83 21H-1 0.00287 0.00303 -0.00825 0.01402 -0.00960
|
|
84 21H+2 -0.00982 -0.00618 -0.01966 0.00271 0.00002
|
|
85 21H-2 0.00141 -0.00115 -0.00479 0.00306 -0.01081
|
|
86 21H+3 0.00023 0.01058 -0.00140 -0.00584 -0.00254
|
|
87 21H-3 0.00151 0.00911 -0.01688 0.00529 0.00985
|
|
88 21H+4 -0.01141 -0.00202 -0.00141 -0.01034 -0.00586
|
|
89 21H-4 0.00970 0.01034 -0.01183 -0.00406 0.00146
|
|
90 21H+5 0.01435 0.01102 0.01345 -0.00789 -0.00314
|
|
91 21H-5 0.00044 0.00353 0.00713 -0.02005 0.01663
|
|
92 2 O 1S 0.00760 0.03365 -0.00662 -0.01557 -0.01595
|
|
93 2S -0.03810 -0.04829 -0.00497 0.00568 0.05927
|
|
94 3S -0.04887 0.13571 -0.10439 -0.13344 0.06787
|
|
95 4S -0.06895 1.56414 0.05000 -0.76390 -0.28590
|
|
96 5S -0.53064 -17.01699 2.48146 9.20346 3.58198
|
|
97 6S -0.73841 -6.96179 0.27519 3.05730 -0.21781
|
|
98 7PX -0.00550 -0.01997 0.00321 0.01127 0.00571
|
|
99 7PY -0.00367 -0.00764 -0.00292 -0.00572 -0.00153
|
|
100 7PZ 0.00173 0.01419 -0.00068 -0.00727 -0.01014
|
|
101 8PX -0.14007 -0.93567 0.15375 0.49631 0.15893
|
|
102 8PY -0.11899 -0.05418 0.11390 0.04519 -0.11933
|
|
103 8PZ 0.12960 0.61610 -0.11465 -0.35039 -0.16332
|
|
104 9PX 1.03092 6.46546 -1.22885 -3.40571 -0.91512
|
|
105 9PY 0.68437 1.22309 -0.41124 -0.58626 0.44193
|
|
106 9PZ -0.67782 -4.32865 0.44387 2.34234 1.01659
|
|
107 10PX -1.63134 5.06167 -1.02138 -3.62655 -2.21558
|
|
108 10PY -0.57090 -1.66192 -1.31749 -0.44352 -1.31405
|
|
109 10PZ -0.26397 -2.98961 3.07123 2.97763 0.49086
|
|
110 11PX -0.04234 0.41113 0.00586 -0.24768 -0.04553
|
|
111 11PY -0.15856 -0.23275 -0.09451 -0.02499 -0.08234
|
|
112 11PZ -0.08582 -0.22260 0.17223 0.13185 -0.06031
|
|
113 12D 0 -0.00911 0.00259 0.00401 -0.00590 -0.00364
|
|
114 12D+1 -0.00924 -0.00408 0.00049 -0.00181 0.01183
|
|
115 12D-1 0.00443 0.00404 -0.00250 0.00344 -0.00934
|
|
116 12D+2 -0.00825 0.00997 0.00032 -0.00217 -0.01430
|
|
117 12D-2 -0.00132 0.00050 -0.00324 0.00182 0.00747
|
|
118 13D 0 0.12168 -0.00411 -0.03004 0.07197 0.03977
|
|
119 13D+1 0.11268 -0.16654 0.04361 0.14961 -0.08911
|
|
120 13D-1 -0.11297 -0.07538 0.15200 0.02705 0.18950
|
|
121 13D+2 0.14868 0.08778 -0.01871 -0.06073 0.10754
|
|
122 13D-2 -0.04943 0.07134 0.03124 -0.05138 -0.22237
|
|
123 14D 0 -0.22617 0.30575 0.06941 -0.16846 -0.10021
|
|
124 14D+1 0.33344 2.63244 -0.51734 -1.54257 -0.42371
|
|
125 14D-1 0.03817 0.68336 -0.18275 -0.30599 -0.14564
|
|
126 14D+2 -0.40757 -1.64244 0.41188 1.04405 0.01714
|
|
127 14D-2 -0.06785 -0.90559 0.19710 0.47625 0.25431
|
|
128 15D 0 0.08548 0.76914 0.36883 -0.02538 0.18949
|
|
129 15D+1 -0.02506 1.01208 -0.48423 -0.88332 -0.24728
|
|
130 15D-1 -0.22065 0.68897 1.55517 0.54332 -0.21096
|
|
131 15D+2 0.69903 0.16668 0.48366 0.57960 0.39143
|
|
132 15D-2 -1.31387 -0.49145 0.31305 0.19993 -0.88816
|
|
133 16F 0 -0.05100 -0.04573 -0.05137 -0.01551 0.02010
|
|
134 16F+1 0.00639 -0.02319 -0.02445 -0.00129 0.02739
|
|
135 16F-1 0.00763 0.02659 0.00040 0.03968 0.02456
|
|
136 16F+2 0.02660 0.02425 -0.04623 -0.03275 -0.00134
|
|
137 16F-2 0.00257 0.00623 0.00412 -0.02846 0.01908
|
|
138 16F+3 0.05358 -0.00695 0.01270 0.00905 0.03558
|
|
139 16F-3 0.02280 -0.03155 0.01503 -0.02306 0.00566
|
|
140 17F 0 0.51082 0.51172 0.52540 0.16386 -0.21027
|
|
141 17F+1 -0.07631 0.25452 0.26174 -0.02683 -0.31368
|
|
142 17F-1 -0.07012 -0.28799 -0.02230 -0.37980 -0.21355
|
|
143 17F+2 -0.27343 -0.29092 0.52287 0.37980 0.07604
|
|
144 17F-2 -0.03096 -0.08555 -0.06121 0.30512 -0.25618
|
|
145 17F+3 -0.58977 0.10285 -0.16109 -0.09680 -0.42191
|
|
146 17F-3 -0.19968 0.30269 -0.15547 0.19837 0.02055
|
|
147 18F 0 -0.25185 -0.33604 -0.90889 -0.56992 0.09894
|
|
148 18F+1 0.37597 0.00168 -0.40922 0.04642 0.40406
|
|
149 18F-1 0.01885 0.78410 -0.12676 0.33963 0.41331
|
|
150 18F+2 0.12339 -0.37602 -1.04277 -0.24529 -0.07230
|
|
151 18F-2 0.23275 -0.26667 0.25777 -0.01378 0.13822
|
|
152 18F+3 0.91130 0.43547 0.10850 -0.27353 1.25680
|
|
153 18F-3 0.29602 0.48539 0.24488 -0.48528 -0.17017
|
|
154 19G 0 0.00552 0.06040 -0.01190 0.00358 -0.00736
|
|
155 19G+1 0.00554 -0.04201 0.02006 0.00147 -0.00491
|
|
156 19G-1 0.00914 -0.01586 0.04526 0.01976 -0.01359
|
|
157 19G+2 0.01339 -0.01052 -0.00795 0.05563 0.01460
|
|
158 19G-2 -0.03885 -0.00184 -0.01073 0.00731 0.01034
|
|
159 19G+3 0.01631 0.02767 -0.01432 -0.01860 -0.03747
|
|
160 19G-3 0.01299 0.01817 0.03327 0.00297 -0.00690
|
|
161 19G+4 0.00287 0.01248 0.03209 -0.03735 0.02526
|
|
162 19G-4 -0.02734 -0.01373 0.00643 0.00512 -0.05232
|
|
163 20G 0 0.00515 -0.49421 0.10337 -0.13150 0.03328
|
|
164 20G+1 -0.09002 0.30867 -0.22464 0.08659 0.09999
|
|
165 20G-1 -0.13667 0.13242 -0.45875 -0.18916 0.19946
|
|
166 20G+2 -0.17581 -0.08955 0.15779 -0.52154 -0.13277
|
|
167 20G-2 0.42467 -0.06967 0.16664 -0.02840 -0.11595
|
|
168 20G+3 -0.15289 -0.02512 0.10453 0.05242 0.39644
|
|
169 20G-3 -0.16671 0.00712 -0.40302 -0.13655 0.02600
|
|
170 20G+4 0.02061 -0.28005 -0.35555 0.52611 -0.27849
|
|
171 20G-4 0.26420 0.01377 -0.03026 0.02560 0.61151
|
|
172 21H 0 -0.00313 0.00450 0.00249 0.00843 0.00529
|
|
173 21H+1 0.00081 -0.00439 0.00293 0.00453 -0.00296
|
|
174 21H-1 -0.00287 0.00303 -0.00825 0.01402 0.00960
|
|
175 21H+2 -0.00982 0.00618 0.01966 -0.00271 0.00002
|
|
176 21H-2 0.00141 0.00115 0.00479 -0.00306 -0.01081
|
|
177 21H+3 -0.00023 0.01058 -0.00140 -0.00584 0.00254
|
|
178 21H-3 -0.00151 0.00911 -0.01688 0.00529 -0.00985
|
|
179 21H+4 -0.01141 0.00202 0.00141 0.01034 -0.00586
|
|
180 21H-4 0.00970 -0.01034 0.01183 0.00406 0.00146
|
|
181 21H+5 -0.01435 0.01102 0.01345 -0.00789 0.00314
|
|
182 21H-5 -0.00044 0.00353 0.00713 -0.02005 -0.01663
|
|
183 3 H 1S 0.03656 -0.07292 0.01728 0.00986 -0.03848
|
|
184 2S -0.22905 2.02373 -0.57353 -1.12334 0.76627
|
|
185 3S 0.68391 -15.91609 4.06277 9.91094 -3.51679
|
|
186 4S 0.83808 -4.36665 0.24800 2.53478 0.12409
|
|
187 5S -0.05686 -0.07751 0.06012 0.04498 -0.03179
|
|
188 6PX 0.00537 -0.02647 0.02147 -0.02248 0.00416
|
|
189 6PY 0.02340 -0.02328 -0.02058 -0.00620 0.01901
|
|
190 6PZ 0.02706 -0.00572 -0.02122 0.04113 -0.02622
|
|
191 7PX 0.04802 -0.41600 0.02748 0.50676 -0.23266
|
|
192 7PY -0.14659 0.04839 0.12346 0.16292 -0.02968
|
|
193 7PZ -0.19784 -0.36545 0.20932 -0.06750 0.06877
|
|
194 8PX -0.88179 8.38280 -2.05110 -4.96668 1.84589
|
|
195 8PY -0.13055 1.58862 -0.27107 -1.26800 -0.16473
|
|
196 8PZ -0.08263 5.74888 -0.94730 -3.30703 1.04793
|
|
197 9PX -0.50330 2.95921 -0.51114 -1.59874 0.29985
|
|
198 9PY -0.32297 0.65659 0.18728 -0.50710 -0.31902
|
|
199 9PZ -0.13272 2.00595 -0.09825 -1.17940 0.19938
|
|
200 10D 0 0.02135 0.01389 -0.00231 -0.00015 -0.02747
|
|
201 10D+1 -0.05088 0.14550 -0.02634 -0.05769 0.04380
|
|
202 10D-1 0.01650 0.03712 -0.02280 -0.03681 0.01893
|
|
203 10D+2 -0.01061 0.12923 -0.00991 -0.07250 -0.00267
|
|
204 10D-2 -0.01192 0.05226 -0.02280 -0.01793 0.07092
|
|
205 11D 0 -0.11786 -0.07735 -0.11483 0.05442 0.14078
|
|
206 11D+1 0.31802 -1.79012 0.34891 1.00280 -0.48106
|
|
207 11D-1 -0.05620 -0.45568 0.12252 0.36978 0.04901
|
|
208 11D+2 0.09484 -1.53748 0.28460 0.82500 -0.10408
|
|
209 11D-2 0.18035 -0.60624 0.07490 0.28924 -0.28868
|
|
210 12D 0 -0.24911 0.01169 -0.04117 -0.13138 -0.02842
|
|
211 12D+1 0.16001 -2.15655 0.31417 1.17006 -0.32316
|
|
212 12D-1 -0.08217 -0.57895 -0.07988 0.29447 0.30812
|
|
213 12D+2 0.17557 -1.76807 0.49795 0.78934 -0.51633
|
|
214 12D-2 0.34175 -0.66961 -0.03893 0.50348 0.10269
|
|
215 13F 0 -0.02865 -0.05294 0.04239 0.03467 -0.00539
|
|
216 13F+1 -0.00624 0.01623 0.04496 -0.07763 0.05006
|
|
217 13F-1 -0.02446 0.00898 0.00821 0.00720 0.00782
|
|
218 13F+2 0.00908 0.08584 -0.04501 -0.04052 0.04732
|
|
219 13F-2 -0.03614 0.05368 0.02877 -0.01740 -0.05922
|
|
220 13F+3 -0.03072 0.04514 -0.02801 -0.00407 0.04883
|
|
221 13F-3 -0.03108 0.03227 0.01930 -0.01608 -0.05455
|
|
222 14F 0 0.15925 -0.16614 -0.02093 0.16486 -0.05931
|
|
223 14F+1 0.05437 0.29337 -0.13653 0.06309 -0.07516
|
|
224 14F-1 0.21807 0.14726 -0.12505 -0.14239 -0.16495
|
|
225 14F+2 -0.12843 0.64115 -0.07119 -0.33301 0.10926
|
|
226 14F-2 0.05423 0.32713 -0.07674 -0.24357 -0.01195
|
|
227 14F+3 0.11666 0.61146 -0.12011 -0.28974 -0.09013
|
|
228 14F-3 -0.08408 0.33599 -0.08088 -0.10275 0.29956
|
|
229 15G 0 0.00240 0.01725 0.00998 -0.02835 0.02095
|
|
230 15G+1 0.00438 0.01017 -0.03265 0.00114 -0.00143
|
|
231 15G-1 0.00060 0.00337 0.00215 0.00266 0.00428
|
|
232 15G+2 -0.00081 -0.02184 0.00473 0.02285 -0.02547
|
|
233 15G-2 -0.00171 -0.03181 0.00095 0.01348 0.01924
|
|
234 15G+3 0.00440 -0.05478 0.02386 0.01799 -0.02065
|
|
235 15G-3 0.01767 -0.03757 -0.00481 0.02715 0.01776
|
|
236 15G+4 0.00340 -0.03797 0.01041 0.01617 -0.02077
|
|
237 15G-4 0.01675 -0.03084 -0.01317 0.01378 -0.00106
|
|
238 4 H 1S 0.03656 0.07292 -0.01728 -0.00986 -0.03848
|
|
239 2S -0.22905 -2.02373 0.57353 1.12334 0.76627
|
|
240 3S 0.68391 15.91609 -4.06277 -9.91094 -3.51679
|
|
241 4S 0.83808 4.36665 -0.24800 -2.53478 0.12409
|
|
242 5S -0.05686 0.07751 -0.06012 -0.04498 -0.03179
|
|
243 6PX -0.00537 -0.02647 0.02147 -0.02248 -0.00416
|
|
244 6PY -0.02340 -0.02328 -0.02058 -0.00620 -0.01901
|
|
245 6PZ 0.02706 0.00572 0.02122 -0.04113 -0.02622
|
|
246 7PX -0.04802 -0.41600 0.02748 0.50676 0.23266
|
|
247 7PY 0.14659 0.04839 0.12346 0.16292 0.02968
|
|
248 7PZ -0.19784 0.36545 -0.20932 0.06750 0.06877
|
|
249 8PX 0.88179 8.38280 -2.05110 -4.96668 -1.84589
|
|
250 8PY 0.13055 1.58862 -0.27107 -1.26800 0.16473
|
|
251 8PZ -0.08263 -5.74888 0.94730 3.30703 1.04793
|
|
252 9PX 0.50330 2.95921 -0.51114 -1.59874 -0.29985
|
|
253 9PY 0.32297 0.65659 0.18728 -0.50710 0.31902
|
|
254 9PZ -0.13272 -2.00595 0.09825 1.17940 0.19938
|
|
255 10D 0 0.02135 -0.01389 0.00231 0.00015 -0.02747
|
|
256 10D+1 0.05088 0.14550 -0.02634 -0.05769 -0.04380
|
|
257 10D-1 -0.01650 0.03712 -0.02280 -0.03681 -0.01893
|
|
258 10D+2 -0.01061 -0.12923 0.00991 0.07250 -0.00267
|
|
259 10D-2 -0.01192 -0.05226 0.02280 0.01793 0.07092
|
|
260 11D 0 -0.11786 0.07735 0.11483 -0.05442 0.14078
|
|
261 11D+1 -0.31802 -1.79012 0.34891 1.00280 0.48106
|
|
262 11D-1 0.05620 -0.45568 0.12252 0.36978 -0.04901
|
|
263 11D+2 0.09484 1.53748 -0.28460 -0.82500 -0.10408
|
|
264 11D-2 0.18035 0.60624 -0.07490 -0.28924 -0.28868
|
|
265 12D 0 -0.24911 -0.01169 0.04117 0.13138 -0.02842
|
|
266 12D+1 -0.16001 -2.15655 0.31417 1.17006 0.32316
|
|
267 12D-1 0.08217 -0.57895 -0.07988 0.29447 -0.30812
|
|
268 12D+2 0.17557 1.76807 -0.49795 -0.78934 -0.51633
|
|
269 12D-2 0.34175 0.66961 0.03893 -0.50348 0.10269
|
|
270 13F 0 -0.02865 0.05294 -0.04239 -0.03467 -0.00539
|
|
271 13F+1 0.00624 0.01623 0.04496 -0.07763 -0.05006
|
|
272 13F-1 0.02446 0.00898 0.00821 0.00720 -0.00782
|
|
273 13F+2 0.00908 -0.08584 0.04501 0.04052 0.04732
|
|
274 13F-2 -0.03614 -0.05368 -0.02877 0.01740 -0.05922
|
|
275 13F+3 0.03072 0.04514 -0.02801 -0.00407 -0.04883
|
|
276 13F-3 0.03108 0.03227 0.01930 -0.01608 0.05455
|
|
277 14F 0 0.15925 0.16614 0.02093 -0.16486 -0.05931
|
|
278 14F+1 -0.05437 0.29337 -0.13653 0.06309 0.07516
|
|
279 14F-1 -0.21807 0.14726 -0.12505 -0.14239 0.16495
|
|
280 14F+2 -0.12843 -0.64115 0.07119 0.33301 0.10926
|
|
281 14F-2 0.05423 -0.32713 0.07674 0.24357 -0.01195
|
|
282 14F+3 -0.11666 0.61146 -0.12011 -0.28974 0.09013
|
|
283 14F-3 0.08408 0.33599 -0.08088 -0.10275 -0.29956
|
|
284 15G 0 0.00240 -0.01725 -0.00998 0.02835 0.02095
|
|
285 15G+1 -0.00438 0.01017 -0.03265 0.00114 0.00143
|
|
286 15G-1 -0.00060 0.00337 0.00215 0.00266 -0.00428
|
|
287 15G+2 -0.00081 0.02184 -0.00473 -0.02285 -0.02547
|
|
288 15G-2 -0.00171 0.03181 -0.00095 -0.01348 0.01924
|
|
289 15G+3 -0.00440 -0.05478 0.02386 0.01799 0.02065
|
|
290 15G-3 -0.01767 -0.03757 -0.00481 0.02715 -0.01776
|
|
291 15G+4 0.00340 0.03797 -0.01041 -0.01617 -0.02077
|
|
292 15G-4 0.01675 0.03084 0.01317 -0.01378 -0.00106
|
|
146 147 148 149 150
|
|
V V V V V
|
|
Eigenvalues -- 7.71583 7.80072 8.03186 8.05913 8.10012
|
|
1 1 O 1S 0.03774 0.00642 0.00636 0.00259 0.03913
|
|
2 2S -0.06590 0.06003 0.00400 0.00995 -0.18421
|
|
3 3S 0.11226 0.33953 0.06019 0.07294 -0.29881
|
|
4 4S 1.49000 0.34629 -0.27560 -0.01222 0.57505
|
|
5 5S -17.08694 -9.23927 0.86933 -1.52354 -6.45019
|
|
6 6S -6.06870 -5.58424 -0.14456 -1.51757 -0.80306
|
|
7 7PX 0.01392 0.01130 0.01686 0.02737 0.00077
|
|
8 7PY -0.00814 -0.00432 0.05033 0.01138 0.02790
|
|
9 7PZ 0.01550 0.00343 -0.00872 -0.01649 -0.00966
|
|
10 8PX 0.99143 0.61846 0.23866 0.28735 0.40072
|
|
11 8PY 0.07283 0.45802 0.37308 0.13283 0.07491
|
|
12 8PZ 0.70456 0.39864 -0.02119 -0.07646 0.15401
|
|
13 9PX -6.50418 -4.34690 -0.59954 -1.55324 -2.77586
|
|
14 9PY -0.82589 -2.53066 -1.13242 -0.61781 -0.42531
|
|
15 9PZ -4.36841 -2.95387 0.24841 -0.14552 -1.51442
|
|
16 10PX -6.59891 -5.17895 1.06928 0.07274 -2.20951
|
|
17 10PY -1.56678 0.67301 0.21527 0.44433 -0.06069
|
|
18 10PZ -4.80164 -2.96529 0.17588 -0.85166 -1.12003
|
|
19 11PX -0.46318 -0.48788 0.13744 -0.10903 -0.01982
|
|
20 11PY -0.16205 0.26959 0.12787 0.18961 -0.08047
|
|
21 11PZ -0.41055 -0.41906 -0.01205 -0.11810 0.00695
|
|
22 12D 0 0.00537 -0.01181 0.00580 -0.02658 -0.00330
|
|
23 12D+1 -0.00110 0.00446 -0.00736 -0.01226 0.01965
|
|
24 12D-1 -0.00289 0.00890 -0.00624 -0.00143 0.01597
|
|
25 12D+2 0.00351 -0.02696 0.01766 0.00797 0.00918
|
|
26 12D-2 0.00931 0.00112 0.00137 -0.01391 0.01539
|
|
27 13D 0 -0.10707 0.13991 -0.09231 0.39960 0.06061
|
|
28 13D+1 0.15920 0.10461 0.06510 0.21978 -0.19130
|
|
29 13D-1 0.09055 -0.07092 0.07242 -0.05375 -0.26579
|
|
30 13D+2 0.05422 0.47599 -0.34502 -0.06657 -0.03880
|
|
31 13D-2 -0.06987 0.06629 0.03849 0.23787 -0.18608
|
|
32 14D 0 0.25616 -0.32257 0.25000 -0.23426 0.22713
|
|
33 14D+1 -2.96959 -1.87536 -0.06767 -0.55507 -0.99914
|
|
34 14D-1 -0.56412 -0.29253 -0.34808 -0.11325 -0.18695
|
|
35 14D+2 -1.93156 -2.20688 0.24031 -0.48417 -0.62244
|
|
36 14D-2 -0.76832 -0.62336 -0.22594 -0.17399 -0.20045
|
|
37 15D 0 -0.24582 0.61151 0.29801 0.22125 0.11599
|
|
38 15D+1 -1.80103 -1.21667 0.50644 0.15259 -0.53053
|
|
39 15D-1 -0.36995 0.10824 0.17602 0.11884 0.14346
|
|
40 15D+2 -1.77018 0.16480 0.51526 0.51800 -0.60634
|
|
41 15D-2 -0.85402 0.55778 -0.76995 -0.39216 0.42118
|
|
42 16F 0 -0.03868 0.00039 -0.02176 0.01885 0.00255
|
|
43 16F+1 0.01607 0.01489 -0.02373 -0.04145 0.01097
|
|
44 16F-1 0.02022 -0.04037 -0.02174 -0.02213 0.01143
|
|
45 16F+2 0.02098 0.01164 0.03173 0.04819 0.04057
|
|
46 16F-2 -0.01611 0.04998 0.00539 -0.02975 0.03400
|
|
47 16F+3 0.01242 0.02691 -0.05365 -0.00777 0.02261
|
|
48 16F-3 0.04876 -0.02629 -0.00032 0.00574 0.05079
|
|
49 17F 0 0.40524 0.02492 0.20116 -0.14052 0.00588
|
|
50 17F+1 -0.15270 -0.17673 0.23444 0.47381 -0.15467
|
|
51 17F-1 -0.18146 0.34752 0.28903 0.23484 -0.10106
|
|
52 17F+2 -0.25279 -0.14785 -0.32332 -0.47877 -0.45411
|
|
53 17F-2 0.09059 -0.54476 0.00876 0.33807 -0.37227
|
|
54 17F+3 -0.14215 -0.27988 0.51100 0.09263 -0.30628
|
|
55 17F-3 -0.50419 0.17689 0.09502 -0.03376 -0.53144
|
|
56 18F 0 0.13857 0.00617 0.28811 0.17061 0.39092
|
|
57 18F+1 -0.41205 0.01446 0.02463 -0.28077 0.20779
|
|
58 18F-1 0.13358 -0.47237 -0.20622 -0.25091 0.13782
|
|
59 18F+2 -0.71521 -0.36621 0.50761 0.37472 0.12962
|
|
60 18F-2 -0.65499 0.51272 -0.45006 -0.45902 0.40847
|
|
61 18F+3 -0.52737 0.10270 -0.33954 -0.03335 0.21159
|
|
62 18F-3 0.13388 -0.79656 -0.32245 -0.25714 0.56047
|
|
63 19G 0 0.01519 0.04628 -0.02103 0.01039 0.00017
|
|
64 19G+1 0.04955 0.02705 -0.01465 0.00730 -0.01291
|
|
65 19G-1 0.00172 0.00662 0.01275 0.00769 0.00956
|
|
66 19G+2 -0.02114 0.00789 -0.01234 -0.00408 -0.02310
|
|
67 19G-2 -0.00611 -0.01543 0.00053 0.00098 -0.00496
|
|
68 19G+3 0.01105 -0.03654 0.00932 -0.01168 -0.04959
|
|
69 19G-3 -0.02484 -0.01904 0.01599 0.01264 -0.01619
|
|
70 19G+4 -0.02144 0.02813 -0.00202 -0.00526 -0.02394
|
|
71 19G-4 -0.01298 0.02341 -0.01549 0.01966 -0.03324
|
|
72 20G 0 0.01423 -0.37046 0.24276 -0.08823 0.07637
|
|
73 20G+1 -0.40877 -0.19725 0.19795 -0.05816 0.25284
|
|
74 20G-1 0.01825 -0.04076 -0.12762 -0.15322 -0.14307
|
|
75 20G+2 -0.01433 -0.20162 0.14356 0.03240 0.16679
|
|
76 20G-2 -0.02252 0.13932 0.00928 -0.02212 -0.00780
|
|
77 20G+3 -0.44806 0.18589 -0.10392 0.08328 0.44860
|
|
78 20G-3 0.07770 0.08124 -0.21648 -0.22920 0.08820
|
|
79 20G+4 0.09165 -0.37878 0.03785 0.11557 0.21846
|
|
80 20G-4 -0.00967 -0.34323 0.24362 -0.24923 0.31008
|
|
81 21H 0 -0.00254 -0.00203 -0.00231 0.01943 0.00956
|
|
82 21H+1 0.01475 0.00612 -0.00589 0.00215 0.00409
|
|
83 21H-1 0.00701 0.00333 0.01793 -0.00060 0.00073
|
|
84 21H+2 -0.01238 0.00321 0.00170 0.01552 0.01721
|
|
85 21H-2 -0.01202 0.00228 -0.00315 -0.00292 0.00729
|
|
86 21H+3 -0.01318 -0.01058 -0.00912 -0.00034 -0.00358
|
|
87 21H-3 -0.00191 -0.00200 0.00002 -0.00928 0.00172
|
|
88 21H+4 -0.02652 -0.01414 0.00406 0.00754 0.00521
|
|
89 21H-4 -0.02130 -0.00021 -0.01740 -0.00331 0.01338
|
|
90 21H+5 -0.00052 -0.00749 -0.01930 0.01410 -0.01147
|
|
91 21H-5 0.00213 -0.00142 0.00081 0.00366 0.00602
|
|
92 2 O 1S 0.03774 0.00642 -0.00636 0.00259 0.03913
|
|
93 2S -0.06590 0.06003 -0.00400 0.00995 -0.18421
|
|
94 3S 0.11226 0.33953 -0.06019 0.07294 -0.29881
|
|
95 4S 1.49000 0.34629 0.27560 -0.01222 0.57505
|
|
96 5S -17.08694 -9.23927 -0.86933 -1.52354 -6.45019
|
|
97 6S -6.06870 -5.58424 0.14456 -1.51757 -0.80306
|
|
98 7PX -0.01392 -0.01130 0.01686 -0.02737 -0.00077
|
|
99 7PY 0.00814 0.00432 0.05033 -0.01138 -0.02790
|
|
100 7PZ 0.01550 0.00343 0.00872 -0.01649 -0.00966
|
|
101 8PX -0.99143 -0.61846 0.23866 -0.28735 -0.40072
|
|
102 8PY -0.07283 -0.45802 0.37308 -0.13283 -0.07491
|
|
103 8PZ 0.70456 0.39864 0.02119 -0.07646 0.15401
|
|
104 9PX 6.50418 4.34690 -0.59954 1.55324 2.77586
|
|
105 9PY 0.82589 2.53066 -1.13242 0.61781 0.42531
|
|
106 9PZ -4.36841 -2.95387 -0.24841 -0.14552 -1.51442
|
|
107 10PX 6.59891 5.17895 1.06928 -0.07274 2.20951
|
|
108 10PY 1.56678 -0.67301 0.21527 -0.44433 0.06069
|
|
109 10PZ -4.80164 -2.96529 -0.17588 -0.85166 -1.12003
|
|
110 11PX 0.46318 0.48788 0.13744 0.10903 0.01982
|
|
111 11PY 0.16205 -0.26959 0.12787 -0.18961 0.08047
|
|
112 11PZ -0.41055 -0.41906 0.01205 -0.11810 0.00695
|
|
113 12D 0 0.00537 -0.01181 -0.00580 -0.02658 -0.00330
|
|
114 12D+1 0.00110 -0.00446 -0.00736 0.01226 -0.01965
|
|
115 12D-1 0.00289 -0.00890 -0.00624 0.00143 -0.01597
|
|
116 12D+2 0.00351 -0.02696 -0.01766 0.00797 0.00918
|
|
117 12D-2 0.00931 0.00112 -0.00137 -0.01391 0.01539
|
|
118 13D 0 -0.10707 0.13991 0.09231 0.39960 0.06061
|
|
119 13D+1 -0.15920 -0.10461 0.06510 -0.21978 0.19130
|
|
120 13D-1 -0.09055 0.07092 0.07242 0.05375 0.26579
|
|
121 13D+2 0.05422 0.47599 0.34502 -0.06657 -0.03880
|
|
122 13D-2 -0.06987 0.06629 -0.03849 0.23787 -0.18608
|
|
123 14D 0 0.25616 -0.32257 -0.25000 -0.23426 0.22713
|
|
124 14D+1 2.96959 1.87536 -0.06767 0.55507 0.99914
|
|
125 14D-1 0.56412 0.29253 -0.34808 0.11325 0.18695
|
|
126 14D+2 -1.93156 -2.20688 -0.24031 -0.48417 -0.62244
|
|
127 14D-2 -0.76832 -0.62336 0.22594 -0.17399 -0.20045
|
|
128 15D 0 -0.24582 0.61151 -0.29801 0.22125 0.11599
|
|
129 15D+1 1.80103 1.21667 0.50644 -0.15259 0.53053
|
|
130 15D-1 0.36995 -0.10824 0.17602 -0.11884 -0.14346
|
|
131 15D+2 -1.77018 0.16480 -0.51526 0.51800 -0.60634
|
|
132 15D-2 -0.85402 0.55778 0.76995 -0.39216 0.42118
|
|
133 16F 0 -0.03868 0.00039 0.02176 0.01885 0.00255
|
|
134 16F+1 -0.01607 -0.01489 -0.02373 0.04145 -0.01097
|
|
135 16F-1 -0.02022 0.04037 -0.02174 0.02213 -0.01143
|
|
136 16F+2 0.02098 0.01164 -0.03173 0.04819 0.04057
|
|
137 16F-2 -0.01611 0.04998 -0.00539 -0.02975 0.03400
|
|
138 16F+3 -0.01242 -0.02691 -0.05365 0.00777 -0.02261
|
|
139 16F-3 -0.04876 0.02629 -0.00032 -0.00574 -0.05079
|
|
140 17F 0 0.40524 0.02492 -0.20116 -0.14052 0.00588
|
|
141 17F+1 0.15270 0.17673 0.23444 -0.47381 0.15467
|
|
142 17F-1 0.18146 -0.34752 0.28903 -0.23484 0.10106
|
|
143 17F+2 -0.25279 -0.14785 0.32332 -0.47877 -0.45411
|
|
144 17F-2 0.09059 -0.54476 -0.00876 0.33807 -0.37227
|
|
145 17F+3 0.14215 0.27988 0.51100 -0.09263 0.30628
|
|
146 17F-3 0.50419 -0.17689 0.09502 0.03376 0.53144
|
|
147 18F 0 0.13857 0.00617 -0.28811 0.17061 0.39092
|
|
148 18F+1 0.41205 -0.01446 0.02463 0.28077 -0.20779
|
|
149 18F-1 -0.13358 0.47237 -0.20622 0.25091 -0.13782
|
|
150 18F+2 -0.71521 -0.36621 -0.50761 0.37472 0.12962
|
|
151 18F-2 -0.65499 0.51272 0.45006 -0.45902 0.40847
|
|
152 18F+3 0.52737 -0.10270 -0.33954 0.03335 -0.21159
|
|
153 18F-3 -0.13388 0.79656 -0.32245 0.25714 -0.56047
|
|
154 19G 0 0.01519 0.04628 0.02103 0.01039 0.00017
|
|
155 19G+1 -0.04955 -0.02705 -0.01465 -0.00730 0.01291
|
|
156 19G-1 -0.00172 -0.00662 0.01275 -0.00769 -0.00956
|
|
157 19G+2 -0.02114 0.00789 0.01234 -0.00408 -0.02310
|
|
158 19G-2 -0.00611 -0.01543 -0.00053 0.00098 -0.00496
|
|
159 19G+3 -0.01105 0.03654 0.00932 0.01168 0.04959
|
|
160 19G-3 0.02484 0.01904 0.01599 -0.01264 0.01619
|
|
161 19G+4 -0.02144 0.02813 0.00202 -0.00526 -0.02394
|
|
162 19G-4 -0.01298 0.02341 0.01549 0.01966 -0.03324
|
|
163 20G 0 0.01423 -0.37046 -0.24276 -0.08823 0.07637
|
|
164 20G+1 0.40877 0.19725 0.19795 0.05816 -0.25284
|
|
165 20G-1 -0.01825 0.04076 -0.12762 0.15322 0.14307
|
|
166 20G+2 -0.01433 -0.20162 -0.14356 0.03240 0.16679
|
|
167 20G-2 -0.02252 0.13932 -0.00928 -0.02212 -0.00780
|
|
168 20G+3 0.44806 -0.18589 -0.10392 -0.08328 -0.44860
|
|
169 20G-3 -0.07770 -0.08124 -0.21648 0.22920 -0.08820
|
|
170 20G+4 0.09165 -0.37878 -0.03785 0.11557 0.21846
|
|
171 20G-4 -0.00967 -0.34323 -0.24362 -0.24923 0.31008
|
|
172 21H 0 -0.00254 -0.00203 0.00231 0.01943 0.00956
|
|
173 21H+1 -0.01475 -0.00612 -0.00589 -0.00215 -0.00409
|
|
174 21H-1 -0.00701 -0.00333 0.01793 0.00060 -0.00073
|
|
175 21H+2 -0.01238 0.00321 -0.00170 0.01552 0.01721
|
|
176 21H-2 -0.01202 0.00228 0.00315 -0.00292 0.00729
|
|
177 21H+3 0.01318 0.01058 -0.00912 0.00034 0.00358
|
|
178 21H-3 0.00191 0.00200 0.00002 0.00928 -0.00172
|
|
179 21H+4 -0.02652 -0.01414 -0.00406 0.00754 0.00521
|
|
180 21H-4 -0.02130 -0.00021 0.01740 -0.00331 0.01338
|
|
181 21H+5 0.00052 0.00749 -0.01930 -0.01410 0.01147
|
|
182 21H-5 -0.00213 0.00142 0.00081 -0.00366 -0.00602
|
|
183 3 H 1S 0.04499 0.03517 0.06467 -0.02658 0.10591
|
|
184 2S -1.63242 -1.56906 0.54436 -0.34202 -1.31989
|
|
185 3S 18.42238 12.28645 -1.30162 1.91386 6.88650
|
|
186 4S 5.42222 4.36057 -0.95771 1.55417 0.67637
|
|
187 5S 0.00298 -0.00574 0.06045 -0.08264 0.05890
|
|
188 6PX 0.05372 0.00679 0.04336 -0.00624 0.05033
|
|
189 6PY 0.01832 -0.01437 0.06078 -0.05171 -0.01524
|
|
190 6PZ 0.00659 0.00665 0.03339 0.00160 0.03306
|
|
191 7PX 0.17097 0.37164 -0.39025 0.19250 -0.06744
|
|
192 7PY 0.06889 0.26713 -0.66451 0.47815 0.29637
|
|
193 7PZ 0.34177 0.27601 -0.30862 -0.04235 -0.02171
|
|
194 8PX -8.93210 -6.14653 0.60958 -1.45915 -3.12166
|
|
195 8PY -2.13053 -1.97621 1.74312 -0.39241 -1.40047
|
|
196 8PZ -5.88183 -4.26334 0.06946 -0.78519 -2.43587
|
|
197 9PX -3.32145 -2.47038 0.23376 -0.70733 -0.75773
|
|
198 9PY -1.02868 -0.97053 0.62413 -0.51107 -0.34560
|
|
199 9PZ -2.10214 -1.54910 0.17727 -0.33517 -0.65933
|
|
200 10D 0 -0.00526 -0.00455 -0.00140 -0.06239 0.01426
|
|
201 10D+1 -0.13839 -0.07411 -0.02680 -0.02556 -0.14697
|
|
202 10D-1 -0.01742 -0.00021 -0.00781 -0.00580 -0.02176
|
|
203 10D+2 -0.13292 -0.08053 0.03591 0.01259 -0.08786
|
|
204 10D-2 -0.05059 -0.03414 0.01911 0.00061 -0.00258
|
|
205 11D 0 -0.08914 0.04311 0.07006 0.36408 -0.13412
|
|
206 11D+1 1.89222 1.20684 0.26144 0.38374 1.16889
|
|
207 11D-1 0.40019 0.16211 -0.02338 0.00518 0.20366
|
|
208 11D+2 1.63441 1.02742 -0.13068 0.15572 0.59367
|
|
209 11D-2 0.75394 0.50599 -0.32695 0.01364 0.09964
|
|
210 12D 0 -0.18594 -0.02848 0.25785 -0.36388 -0.08268
|
|
211 12D+1 2.01290 1.58268 0.01473 0.36498 0.76339
|
|
212 12D-1 0.62547 0.45391 -0.46424 0.23927 0.42951
|
|
213 12D+2 1.34048 1.14672 0.38420 0.08194 0.18061
|
|
214 12D-2 0.90124 0.93196 -0.72674 0.42049 0.42042
|
|
215 13F 0 0.06308 0.05190 -0.01672 0.02032 0.01989
|
|
216 13F+1 -0.00231 -0.03939 0.00849 0.04748 -0.01395
|
|
217 13F-1 -0.01116 -0.01944 -0.00120 -0.00433 -0.00690
|
|
218 13F+2 -0.07633 -0.06055 -0.00974 -0.03583 -0.02385
|
|
219 13F-2 -0.05572 -0.05246 -0.01002 0.03607 -0.02112
|
|
220 13F+3 -0.04251 -0.02220 -0.03312 -0.05240 -0.00300
|
|
221 13F-3 -0.04219 -0.04367 -0.00512 0.01751 -0.02930
|
|
222 14F 0 0.31104 0.01930 0.07339 -0.00169 0.32130
|
|
223 14F+1 -0.27591 -0.18669 -0.12611 -0.17223 -0.08881
|
|
224 14F-1 -0.02005 0.03937 -0.09757 0.06381 -0.05943
|
|
225 14F+2 -0.55039 -0.46387 -0.20625 -0.03265 -0.22072
|
|
226 14F-2 -0.32640 -0.17559 0.20441 -0.24474 -0.10076
|
|
227 14F+3 -0.33604 -0.38419 -0.07287 0.16966 0.05062
|
|
228 14F-3 -0.31699 -0.41544 0.24187 -0.11817 0.09275
|
|
229 15G 0 -0.02281 -0.01177 0.00555 0.00383 -0.03499
|
|
230 15G+1 -0.03037 -0.00187 -0.00031 -0.00387 -0.02995
|
|
231 15G-1 0.00573 -0.00931 -0.00311 0.02163 -0.00435
|
|
232 15G+2 0.02368 0.02999 0.01371 0.00008 0.02187
|
|
233 15G-2 0.01871 0.00753 0.01127 0.00688 0.01805
|
|
234 15G+3 0.04942 0.03032 0.00792 0.02545 0.02036
|
|
235 15G-3 0.04968 0.04084 -0.00725 -0.00685 0.01136
|
|
236 15G+4 0.01951 0.02175 0.02570 0.00619 0.00007
|
|
237 15G-4 0.04453 0.02985 -0.01950 0.01423 0.00216
|
|
238 4 H 1S 0.04499 0.03517 -0.06467 -0.02658 0.10591
|
|
239 2S -1.63242 -1.56906 -0.54436 -0.34202 -1.31989
|
|
240 3S 18.42238 12.28645 1.30162 1.91386 6.88650
|
|
241 4S 5.42222 4.36057 0.95771 1.55417 0.67637
|
|
242 5S 0.00298 -0.00574 -0.06045 -0.08264 0.05890
|
|
243 6PX -0.05372 -0.00679 0.04336 0.00624 -0.05033
|
|
244 6PY -0.01832 0.01437 0.06078 0.05171 0.01524
|
|
245 6PZ 0.00659 0.00665 -0.03339 0.00160 0.03306
|
|
246 7PX -0.17097 -0.37164 -0.39025 -0.19250 0.06744
|
|
247 7PY -0.06889 -0.26713 -0.66451 -0.47815 -0.29637
|
|
248 7PZ 0.34177 0.27601 0.30862 -0.04235 -0.02171
|
|
249 8PX 8.93210 6.14653 0.60958 1.45915 3.12166
|
|
250 8PY 2.13053 1.97621 1.74312 0.39241 1.40047
|
|
251 8PZ -5.88183 -4.26334 -0.06946 -0.78519 -2.43587
|
|
252 9PX 3.32145 2.47038 0.23376 0.70733 0.75773
|
|
253 9PY 1.02868 0.97053 0.62413 0.51107 0.34560
|
|
254 9PZ -2.10214 -1.54910 -0.17727 -0.33517 -0.65933
|
|
255 10D 0 -0.00526 -0.00455 0.00140 -0.06239 0.01426
|
|
256 10D+1 0.13839 0.07411 -0.02680 0.02556 0.14697
|
|
257 10D-1 0.01742 0.00021 -0.00781 0.00580 0.02176
|
|
258 10D+2 -0.13292 -0.08053 -0.03591 0.01259 -0.08786
|
|
259 10D-2 -0.05059 -0.03414 -0.01911 0.00061 -0.00258
|
|
260 11D 0 -0.08914 0.04311 -0.07006 0.36408 -0.13412
|
|
261 11D+1 -1.89222 -1.20684 0.26144 -0.38374 -1.16889
|
|
262 11D-1 -0.40019 -0.16211 -0.02338 -0.00518 -0.20366
|
|
263 11D+2 1.63441 1.02742 0.13068 0.15572 0.59367
|
|
264 11D-2 0.75394 0.50599 0.32695 0.01364 0.09964
|
|
265 12D 0 -0.18594 -0.02848 -0.25785 -0.36388 -0.08268
|
|
266 12D+1 -2.01290 -1.58268 0.01473 -0.36498 -0.76339
|
|
267 12D-1 -0.62547 -0.45391 -0.46424 -0.23927 -0.42951
|
|
268 12D+2 1.34048 1.14672 -0.38420 0.08194 0.18061
|
|
269 12D-2 0.90124 0.93196 0.72674 0.42049 0.42042
|
|
270 13F 0 0.06308 0.05190 0.01672 0.02032 0.01989
|
|
271 13F+1 0.00231 0.03939 0.00849 -0.04748 0.01395
|
|
272 13F-1 0.01116 0.01944 -0.00120 0.00433 0.00690
|
|
273 13F+2 -0.07633 -0.06055 0.00974 -0.03583 -0.02385
|
|
274 13F-2 -0.05572 -0.05246 0.01002 0.03607 -0.02112
|
|
275 13F+3 0.04251 0.02220 -0.03312 0.05240 0.00300
|
|
276 13F-3 0.04219 0.04367 -0.00512 -0.01751 0.02930
|
|
277 14F 0 0.31104 0.01930 -0.07339 -0.00169 0.32130
|
|
278 14F+1 0.27591 0.18669 -0.12611 0.17223 0.08881
|
|
279 14F-1 0.02005 -0.03937 -0.09757 -0.06381 0.05943
|
|
280 14F+2 -0.55039 -0.46387 0.20625 -0.03265 -0.22072
|
|
281 14F-2 -0.32640 -0.17559 -0.20441 -0.24474 -0.10076
|
|
282 14F+3 0.33604 0.38419 -0.07287 -0.16966 -0.05062
|
|
283 14F-3 0.31699 0.41544 0.24187 0.11817 -0.09275
|
|
284 15G 0 -0.02281 -0.01177 -0.00555 0.00383 -0.03499
|
|
285 15G+1 0.03037 0.00187 -0.00031 0.00387 0.02995
|
|
286 15G-1 -0.00573 0.00931 -0.00311 -0.02163 0.00435
|
|
287 15G+2 0.02368 0.02999 -0.01371 0.00008 0.02187
|
|
288 15G-2 0.01871 0.00753 -0.01127 0.00688 0.01805
|
|
289 15G+3 -0.04942 -0.03032 0.00792 -0.02545 -0.02036
|
|
290 15G-3 -0.04968 -0.04084 -0.00725 0.00685 -0.01136
|
|
291 15G+4 0.01951 0.02175 -0.02570 0.00619 0.00007
|
|
292 15G-4 0.04453 0.02985 0.01950 0.01423 0.00216
|
|
151 152 153 154 155
|
|
V V V V V
|
|
Eigenvalues -- 8.14174 8.18675 8.19948 8.25576 8.40345
|
|
1 1 O 1S 0.00539 0.00313 0.00054 0.00805 0.00525
|
|
2 2S -0.01338 0.03081 -0.01512 -0.01356 -0.00778
|
|
3 3S 0.02735 0.16438 -0.04890 0.05489 0.04821
|
|
4 4S 0.04835 0.42026 0.05550 0.10996 -0.02344
|
|
5 5S -2.31921 -5.70577 0.11801 -3.32999 -2.06305
|
|
6 6S -0.02803 -1.90439 -0.21846 -0.89281 -2.41852
|
|
7 7PX 0.00031 0.00924 -0.00768 -0.01033 0.00020
|
|
8 7PY -0.00495 -0.03448 -0.00611 -0.00508 0.01004
|
|
9 7PZ -0.00472 -0.01487 -0.00380 0.00896 -0.00400
|
|
10 8PX 0.14505 0.28690 -0.03217 0.19074 0.15580
|
|
11 8PY 0.09059 -0.07966 0.00764 0.14891 0.13008
|
|
12 8PZ 0.04846 0.10659 0.00421 0.20578 0.00911
|
|
13 9PX -1.04982 -2.12375 0.19353 -1.40094 -1.37311
|
|
14 9PY -0.37690 -0.14941 -0.08008 -0.73922 -0.76626
|
|
15 9PZ -0.52958 -1.24106 0.13668 -1.20256 -0.57789
|
|
16 10PX -1.34788 -2.96253 -0.45060 -2.23159 -0.83838
|
|
17 10PY -0.90706 -1.07945 -0.11335 -0.65748 0.49151
|
|
18 10PZ -1.49091 -2.27544 -0.53313 -1.68510 -0.78402
|
|
19 11PX -0.10807 -0.30615 -0.10245 -0.22309 -0.11765
|
|
20 11PY -0.25041 -0.14004 0.01923 -0.20478 0.32225
|
|
21 11PZ -0.03881 -0.04355 -0.02632 -0.15582 -0.27832
|
|
22 12D 0 -0.02824 -0.01260 -0.03494 0.01912 0.00464
|
|
23 12D+1 -0.02086 -0.00760 -0.00328 0.01221 0.02198
|
|
24 12D-1 0.00030 0.03169 -0.01968 0.01058 -0.06727
|
|
25 12D+2 0.00335 0.01044 0.01617 -0.02551 -0.01787
|
|
26 12D-2 0.03994 -0.03224 0.01273 0.02848 0.01012
|
|
27 13D 0 0.40079 0.17358 0.49639 -0.32892 -0.05107
|
|
28 13D+1 0.33871 0.19692 0.05679 -0.12367 -0.25865
|
|
29 13D-1 -0.01397 -0.43227 0.33705 -0.14767 0.90127
|
|
30 13D+2 -0.06457 -0.09130 -0.25316 0.37388 0.31682
|
|
31 13D-2 -0.56250 0.52824 -0.18934 -0.31804 -0.11731
|
|
32 14D 0 -0.29638 -0.12031 -0.35136 0.07193 -0.00267
|
|
33 14D+1 -0.70683 -1.09549 0.05308 -0.67450 -0.27018
|
|
34 14D-1 -0.07916 0.35820 -0.21587 -0.06553 -1.12832
|
|
35 14D+2 -0.43986 -0.69226 0.16760 -0.90004 -0.86387
|
|
36 14D-2 0.33177 -0.62300 0.08145 0.16880 0.14076
|
|
37 15D 0 -0.53479 -0.27149 -0.26036 -0.18160 0.43999
|
|
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|
270 13F 0 -0.02884 -0.02553 0.03220 0.01053 -0.00031
|
|
271 13F+1 0.06558 0.00743 -0.07937 -0.04639 0.02200
|
|
272 13F-1 0.01114 -0.01430 -0.02016 -0.03180 -0.00640
|
|
273 13F+2 -0.01177 0.02862 0.01378 0.01338 -0.03415
|
|
274 13F-2 0.05007 0.03423 -0.00568 0.07828 0.02987
|
|
275 13F+3 -0.00330 -0.01441 0.02735 0.03308 0.00284
|
|
276 13F-3 -0.05871 -0.02582 0.03015 -0.05575 -0.01180
|
|
277 14F 0 -0.07554 -0.10732 -0.05257 -0.20506 0.12366
|
|
278 14F+1 -0.12124 -0.13817 0.18629 0.09892 -0.06508
|
|
279 14F-1 0.00188 0.20176 0.16238 -0.00735 0.20158
|
|
280 14F+2 0.11780 0.23372 0.01325 0.15030 -0.04164
|
|
281 14F-2 0.00298 -0.03316 0.07868 -0.08628 -0.28680
|
|
282 14F+3 0.05402 0.06572 0.06787 -0.13777 0.03675
|
|
283 14F-3 0.06615 -0.23611 -0.10638 0.02981 -0.06200
|
|
284 15G 0 0.01034 0.01275 0.00797 0.00264 -0.01134
|
|
285 15G+1 -0.01609 -0.01959 0.01512 -0.01982 0.00511
|
|
286 15G-1 -0.01007 -0.01918 0.01621 -0.01459 -0.00562
|
|
287 15G+2 0.00720 -0.01753 -0.00419 -0.01570 0.00069
|
|
288 15G-2 -0.00647 0.00249 -0.01157 -0.01633 0.02898
|
|
289 15G+3 -0.00067 -0.00250 0.00658 0.00348 -0.00792
|
|
290 15G-3 0.01203 0.03428 -0.01434 0.02906 0.00106
|
|
291 15G+4 0.00158 0.01792 0.00360 0.01268 0.00677
|
|
292 15G-4 -0.01573 -0.01439 -0.00675 -0.00463 0.00192
|
|
156 157 158 159 160
|
|
V V V V V
|
|
Eigenvalues -- 8.44387 8.54825 8.90023 9.30322 9.41039
|
|
1 1 O 1S -0.00384 -0.00368 -0.02729 -0.00920 -0.00381
|
|
2 2S 0.10141 0.12933 0.11810 0.04350 0.11934
|
|
3 3S 0.37505 0.47397 0.20124 -0.02539 0.42974
|
|
4 4S -0.28089 -0.27060 -1.35322 0.79226 0.00317
|
|
5 5S -3.61721 -4.41904 9.95738 1.32206 -2.91466
|
|
6 6S -0.61242 -2.78800 4.44384 0.43862 -1.93794
|
|
7 7PX 0.00398 0.00973 0.00292 0.06597 0.03170
|
|
8 7PY -0.00836 0.01281 -0.02421 0.04754 -0.02562
|
|
9 7PZ 0.01813 -0.00420 -0.01238 -0.00249 0.02122
|
|
10 8PX 0.02581 0.13612 -0.47387 0.25885 0.63403
|
|
11 8PY 0.03297 0.10035 -0.19280 0.25905 0.41954
|
|
12 8PZ 0.12763 0.02193 -0.45666 0.00118 0.37936
|
|
13 9PX -0.98183 -1.52536 3.67198 0.44965 -3.30135
|
|
14 9PY -0.10909 -0.52182 1.18054 -0.71451 -2.01353
|
|
15 9PZ -1.04597 -0.77709 2.96126 0.75040 -1.99125
|
|
16 10PX -1.61040 -2.36588 1.34977 -1.10068 -0.30354
|
|
17 10PY -1.09508 0.07042 -5.02774 -0.66129 1.88891
|
|
18 10PZ -0.80946 -1.51857 0.90426 0.34948 -0.79057
|
|
19 11PX -0.03727 -0.20670 0.22012 0.17302 0.07449
|
|
20 11PY -0.14182 0.01093 -0.39336 0.09553 0.16499
|
|
21 11PZ 0.01154 -0.24542 0.06309 0.01502 -0.09536
|
|
22 12D 0 0.03350 0.03233 0.00294 0.02058 0.00889
|
|
23 12D+1 -0.04294 -0.04576 -0.02166 -0.01726 -0.01809
|
|
24 12D-1 0.00085 -0.01031 -0.00016 -0.03260 0.00427
|
|
25 12D+2 0.01312 0.01848 -0.01868 -0.01661 -0.00141
|
|
26 12D-2 0.00023 0.00810 0.00110 0.01601 -0.00001
|
|
27 13D 0 -0.52109 -0.48048 -0.01023 -0.28962 -0.28243
|
|
28 13D+1 0.71502 0.78491 0.22547 0.19756 0.25338
|
|
29 13D-1 0.01458 0.17168 -0.04084 0.43815 -0.07909
|
|
30 13D+2 -0.15363 -0.22024 0.25545 0.19010 -0.23067
|
|
31 13D-2 -0.02240 -0.09389 0.04658 -0.29665 0.05346
|
|
32 14D 0 0.45962 0.62035 -0.04054 0.67213 0.00306
|
|
33 14D+1 -1.15180 -1.29876 1.54678 -0.04177 -1.85828
|
|
34 14D-1 -0.04860 -0.34447 0.25278 -0.92163 0.01356
|
|
35 14D+2 -0.11395 -0.16409 0.92357 -0.14235 -1.52467
|
|
36 14D-2 -0.15702 -0.09508 0.55568 -0.21043 -0.02947
|
|
37 15D 0 -0.28442 -0.05503 -0.82396 0.06664 0.59201
|
|
38 15D+1 -0.15505 -0.37129 0.35215 0.10025 0.11083
|
|
39 15D-1 -0.34270 0.26084 -0.25858 -0.02675 0.25524
|
|
40 15D+2 -0.29459 -0.51497 -1.64149 -0.00213 0.96023
|
|
41 15D-2 -0.02582 0.14312 -0.80795 0.49409 -0.45242
|
|
42 16F 0 -0.00291 0.00368 0.03465 -0.01988 -0.02665
|
|
43 16F+1 0.00879 -0.01041 -0.03205 -0.00768 0.02135
|
|
44 16F-1 -0.00870 0.00009 0.01107 0.00688 -0.03260
|
|
45 16F+2 -0.01493 -0.01086 -0.05331 0.02405 0.06837
|
|
46 16F-2 -0.00375 0.00414 -0.03901 0.03814 -0.00249
|
|
47 16F+3 0.00547 -0.00627 -0.06023 0.01319 0.02814
|
|
48 16F-3 -0.02561 0.00302 0.00393 0.03813 -0.03718
|
|
49 17F 0 0.04395 -0.04600 -0.40485 0.20389 0.30803
|
|
50 17F+1 -0.10389 0.10958 0.37395 0.13288 -0.29090
|
|
51 17F-1 0.09070 -0.00559 -0.18910 -0.06128 0.29380
|
|
52 17F+2 0.16009 0.10594 0.72026 -0.18695 -0.84490
|
|
53 17F-2 0.00599 -0.03267 0.49440 -0.44109 0.05913
|
|
54 17F+3 -0.07608 0.05236 0.71497 0.01573 -0.43526
|
|
55 17F-3 0.31556 -0.08374 -0.13503 -0.43118 0.35737
|
|
56 18F 0 0.06378 0.30367 0.12420 0.23073 0.15693
|
|
57 18F+1 0.01849 0.01699 -0.02867 0.39332 -0.14112
|
|
58 18F-1 0.01812 0.08859 0.28801 0.03401 -0.60814
|
|
59 18F+2 -0.11053 -0.11199 -0.11593 0.04082 -0.05788
|
|
60 18F-2 -0.03090 0.31050 -0.48870 -0.42244 -0.14492
|
|
61 18F+3 0.39595 -0.02352 -0.58802 0.93300 -0.50931
|
|
62 18F-3 -0.02537 0.23221 0.24288 -0.33654 -0.71057
|
|
63 19G 0 -0.00048 0.00232 -0.00277 -0.00758 0.00537
|
|
64 19G+1 -0.00124 -0.01309 -0.00615 -0.01302 -0.00066
|
|
65 19G-1 -0.00551 0.00225 0.00934 -0.00629 0.00039
|
|
66 19G+2 -0.00852 -0.00908 0.01481 0.00076 0.01406
|
|
67 19G-2 -0.00310 -0.01006 0.00487 0.02372 -0.00430
|
|
68 19G+3 -0.01850 -0.03624 0.01906 0.00629 0.00802
|
|
69 19G-3 -0.00821 -0.01545 0.01563 0.02072 0.00016
|
|
70 19G+4 -0.03875 -0.00888 0.02790 -0.00426 0.01553
|
|
71 19G-4 -0.00833 -0.02390 0.00339 0.05677 -0.01093
|
|
72 20G 0 0.03856 0.02359 -0.09823 0.10364 -0.01915
|
|
73 20G+1 0.05727 0.23702 -0.06106 0.26028 0.07158
|
|
74 20G-1 0.08631 -0.02566 -0.17294 0.08220 -0.05617
|
|
75 20G+2 0.04880 0.07006 0.00351 0.02536 -0.42972
|
|
76 20G-2 -0.00535 0.10615 0.02211 -0.37214 0.03949
|
|
77 20G+3 0.22442 0.41597 -0.11338 -0.07818 -0.41669
|
|
78 20G-3 0.03815 0.18295 -0.05945 -0.45649 -0.07085
|
|
79 20G+4 0.48197 0.07818 -0.24523 0.07860 -0.46819
|
|
80 20G-4 0.05762 0.25881 0.12394 -0.90627 0.14711
|
|
81 21H 0 0.00332 0.00048 0.00687 0.00376 0.00809
|
|
82 21H+1 -0.00323 -0.00119 -0.01093 0.01082 0.00322
|
|
83 21H-1 -0.00264 -0.00454 -0.01111 0.00243 -0.02446
|
|
84 21H+2 0.00124 0.00051 0.01272 0.01397 0.00998
|
|
85 21H-2 -0.00576 0.01342 0.00112 -0.00292 -0.00776
|
|
86 21H+3 0.00261 0.00094 -0.00729 0.01805 -0.01998
|
|
87 21H-3 0.00246 -0.01065 -0.00517 -0.00374 -0.02306
|
|
88 21H+4 0.00534 -0.00407 0.01232 -0.00622 -0.00569
|
|
89 21H-4 -0.01880 0.02368 0.01087 -0.02435 -0.01300
|
|
90 21H+5 0.00291 -0.00096 -0.02408 0.04280 -0.02872
|
|
91 21H-5 0.01620 -0.01557 -0.00964 -0.01037 -0.02648
|
|
92 2 O 1S 0.00384 -0.00368 0.02729 -0.00920 -0.00381
|
|
93 2S -0.10141 0.12933 -0.11810 0.04350 0.11934
|
|
94 3S -0.37505 0.47397 -0.20124 -0.02539 0.42974
|
|
95 4S 0.28089 -0.27060 1.35322 0.79226 0.00317
|
|
96 5S 3.61721 -4.41904 -9.95738 1.32206 -2.91466
|
|
97 6S 0.61242 -2.78800 -4.44384 0.43862 -1.93794
|
|
98 7PX 0.00398 -0.00973 0.00292 -0.06597 -0.03170
|
|
99 7PY -0.00836 -0.01281 -0.02421 -0.04754 0.02562
|
|
100 7PZ -0.01813 -0.00420 0.01238 -0.00249 0.02122
|
|
101 8PX 0.02581 -0.13612 -0.47387 -0.25885 -0.63403
|
|
102 8PY 0.03297 -0.10035 -0.19280 -0.25905 -0.41954
|
|
103 8PZ -0.12763 0.02193 0.45666 0.00118 0.37936
|
|
104 9PX -0.98183 1.52536 3.67198 -0.44965 3.30135
|
|
105 9PY -0.10909 0.52182 1.18054 0.71451 2.01353
|
|
106 9PZ 1.04597 -0.77709 -2.96126 0.75040 -1.99125
|
|
107 10PX -1.61040 2.36588 1.34977 1.10068 0.30354
|
|
108 10PY -1.09508 -0.07042 -5.02774 0.66129 -1.88891
|
|
109 10PZ 0.80946 -1.51857 -0.90426 0.34948 -0.79057
|
|
110 11PX -0.03727 0.20670 0.22012 -0.17302 -0.07449
|
|
111 11PY -0.14182 -0.01093 -0.39336 -0.09553 -0.16499
|
|
112 11PZ -0.01154 -0.24542 -0.06309 0.01502 -0.09536
|
|
113 12D 0 -0.03350 0.03233 -0.00294 0.02058 0.00889
|
|
114 12D+1 -0.04294 0.04576 -0.02166 0.01726 0.01809
|
|
115 12D-1 0.00085 0.01031 -0.00016 0.03260 -0.00427
|
|
116 12D+2 -0.01312 0.01848 0.01868 -0.01661 -0.00141
|
|
117 12D-2 -0.00023 0.00810 -0.00110 0.01601 -0.00001
|
|
118 13D 0 0.52109 -0.48048 0.01023 -0.28962 -0.28243
|
|
119 13D+1 0.71502 -0.78491 0.22547 -0.19756 -0.25338
|
|
120 13D-1 0.01458 -0.17168 -0.04084 -0.43815 0.07909
|
|
121 13D+2 0.15363 -0.22024 -0.25545 0.19010 -0.23067
|
|
122 13D-2 0.02240 -0.09389 -0.04658 -0.29665 0.05346
|
|
123 14D 0 -0.45962 0.62035 0.04054 0.67213 0.00306
|
|
124 14D+1 -1.15180 1.29876 1.54678 0.04177 1.85828
|
|
125 14D-1 -0.04860 0.34447 0.25278 0.92163 -0.01356
|
|
126 14D+2 0.11395 -0.16409 -0.92357 -0.14235 -1.52467
|
|
127 14D-2 0.15702 -0.09508 -0.55568 -0.21043 -0.02947
|
|
128 15D 0 0.28442 -0.05503 0.82396 0.06664 0.59201
|
|
129 15D+1 -0.15505 0.37129 0.35215 -0.10025 -0.11083
|
|
130 15D-1 -0.34270 -0.26084 -0.25858 0.02675 -0.25524
|
|
131 15D+2 0.29459 -0.51497 1.64149 -0.00213 0.96023
|
|
132 15D-2 0.02582 0.14312 0.80795 0.49409 -0.45242
|
|
133 16F 0 0.00291 0.00368 -0.03465 -0.01988 -0.02665
|
|
134 16F+1 0.00879 0.01041 -0.03205 0.00768 -0.02135
|
|
135 16F-1 -0.00870 -0.00009 0.01107 -0.00688 0.03260
|
|
136 16F+2 0.01493 -0.01086 0.05331 0.02405 0.06837
|
|
137 16F-2 0.00375 0.00414 0.03901 0.03814 -0.00249
|
|
138 16F+3 0.00547 0.00627 -0.06023 -0.01319 -0.02814
|
|
139 16F-3 -0.02561 -0.00302 0.00393 -0.03813 0.03718
|
|
140 17F 0 -0.04395 -0.04600 0.40485 0.20389 0.30803
|
|
141 17F+1 -0.10389 -0.10958 0.37395 -0.13288 0.29090
|
|
142 17F-1 0.09070 0.00559 -0.18910 0.06128 -0.29380
|
|
143 17F+2 -0.16009 0.10594 -0.72026 -0.18695 -0.84490
|
|
144 17F-2 -0.00599 -0.03267 -0.49440 -0.44109 0.05913
|
|
145 17F+3 -0.07608 -0.05236 0.71497 -0.01573 0.43526
|
|
146 17F-3 0.31556 0.08374 -0.13503 0.43118 -0.35737
|
|
147 18F 0 -0.06378 0.30367 -0.12420 0.23073 0.15693
|
|
148 18F+1 0.01849 -0.01699 -0.02867 -0.39332 0.14112
|
|
149 18F-1 0.01812 -0.08859 0.28801 -0.03401 0.60814
|
|
150 18F+2 0.11053 -0.11199 0.11593 0.04082 -0.05788
|
|
151 18F-2 0.03090 0.31050 0.48870 -0.42244 -0.14492
|
|
152 18F+3 0.39595 0.02352 -0.58802 -0.93300 0.50931
|
|
153 18F-3 -0.02537 -0.23221 0.24288 0.33654 0.71057
|
|
154 19G 0 0.00048 0.00232 0.00277 -0.00758 0.00537
|
|
155 19G+1 -0.00124 0.01309 -0.00615 0.01302 0.00066
|
|
156 19G-1 -0.00551 -0.00225 0.00934 0.00629 -0.00039
|
|
157 19G+2 0.00852 -0.00908 -0.01481 0.00076 0.01406
|
|
158 19G-2 0.00310 -0.01006 -0.00487 0.02372 -0.00430
|
|
159 19G+3 -0.01850 0.03624 0.01906 -0.00629 -0.00802
|
|
160 19G-3 -0.00821 0.01545 0.01563 -0.02072 -0.00016
|
|
161 19G+4 0.03875 -0.00888 -0.02790 -0.00426 0.01553
|
|
162 19G-4 0.00833 -0.02390 -0.00339 0.05677 -0.01093
|
|
163 20G 0 -0.03856 0.02359 0.09823 0.10364 -0.01915
|
|
164 20G+1 0.05727 -0.23702 -0.06106 -0.26028 -0.07158
|
|
165 20G-1 0.08631 0.02566 -0.17294 -0.08220 0.05617
|
|
166 20G+2 -0.04880 0.07006 -0.00351 0.02536 -0.42972
|
|
167 20G-2 0.00535 0.10615 -0.02211 -0.37214 0.03949
|
|
168 20G+3 0.22442 -0.41597 -0.11338 0.07818 0.41669
|
|
169 20G-3 0.03815 -0.18295 -0.05945 0.45649 0.07085
|
|
170 20G+4 -0.48197 0.07818 0.24523 0.07860 -0.46819
|
|
171 20G-4 -0.05762 0.25881 -0.12394 -0.90627 0.14711
|
|
172 21H 0 -0.00332 0.00048 -0.00687 0.00376 0.00809
|
|
173 21H+1 -0.00323 0.00119 -0.01093 -0.01082 -0.00322
|
|
174 21H-1 -0.00264 0.00454 -0.01111 -0.00243 0.02446
|
|
175 21H+2 -0.00124 0.00051 -0.01272 0.01397 0.00998
|
|
176 21H-2 0.00576 0.01342 -0.00112 -0.00292 -0.00776
|
|
177 21H+3 0.00261 -0.00094 -0.00729 -0.01805 0.01998
|
|
178 21H-3 0.00246 0.01065 -0.00517 0.00374 0.02306
|
|
179 21H+4 -0.00534 -0.00407 -0.01232 -0.00622 -0.00569
|
|
180 21H-4 0.01880 0.02368 -0.01087 -0.02435 -0.01300
|
|
181 21H+5 0.00291 0.00096 -0.02408 -0.04280 0.02872
|
|
182 21H-5 0.01620 0.01557 -0.00964 0.01037 0.02648
|
|
183 3 H 1S -0.05021 -0.01769 -0.15822 0.06951 0.17589
|
|
184 2S -0.90664 -1.10675 1.25052 1.38640 0.33666
|
|
185 3S 4.03582 5.42384 -7.17290 -1.76764 4.29134
|
|
186 4S 1.68374 2.61133 -1.30972 -0.86505 0.89315
|
|
187 5S -0.07149 -0.01882 -0.19084 0.07503 0.13537
|
|
188 6PX -0.04625 -0.05415 -0.10091 0.12577 0.15081
|
|
189 6PY -0.03656 -0.01899 0.01977 -0.01533 0.04927
|
|
190 6PZ -0.04064 -0.02895 -0.06820 0.09177 0.09801
|
|
191 7PX 0.55683 0.63526 0.40653 -1.10421 -0.97793
|
|
192 7PY 0.33725 0.21130 -0.44017 0.01422 -0.17936
|
|
193 7PZ 0.45622 0.37440 0.28950 -0.78621 -0.65428
|
|
194 8PX -2.46317 -2.70593 4.14361 1.77771 -2.12824
|
|
195 8PY -0.52981 -1.03383 2.04037 1.60245 -1.28798
|
|
196 8PZ -1.47797 -2.04119 2.39842 0.54421 -1.44520
|
|
197 9PX -1.03109 -1.34870 1.12510 0.45174 -0.77372
|
|
198 9PY -0.31518 -0.66873 0.83086 0.23739 -0.68598
|
|
199 9PZ -0.64447 -0.82632 0.72202 0.27338 -0.44460
|
|
200 10D 0 0.02702 -0.00050 -0.01503 -0.04382 -0.00037
|
|
201 10D+1 0.00561 -0.02301 0.13491 0.01660 -0.02988
|
|
202 10D-1 0.01034 -0.00376 0.02508 0.06956 -0.06552
|
|
203 10D+2 0.00638 0.01853 0.10538 0.01419 -0.03508
|
|
204 10D-2 0.00347 0.01185 0.05283 0.10667 -0.08992
|
|
205 11D 0 -0.24848 -0.05308 0.24168 0.34272 -0.03167
|
|
206 11D+1 0.28593 0.50189 -1.36069 0.14936 0.78308
|
|
207 11D-1 -0.04699 0.10892 -0.24110 -0.46759 0.57279
|
|
208 11D+2 0.10739 0.01449 -0.93724 -0.03716 0.61074
|
|
209 11D-2 0.00833 -0.01813 -0.55114 -0.85053 0.77443
|
|
210 12D 0 -0.22838 -0.15708 0.42667 0.23323 -0.26644
|
|
211 12D+1 0.81628 0.89173 -1.04085 -0.51736 0.54880
|
|
212 12D-1 0.23419 0.27678 -0.58979 -0.41245 0.34000
|
|
213 12D+2 0.35259 0.43977 -0.35614 -0.40940 0.03410
|
|
214 12D-2 0.34134 0.48869 -0.87169 -0.58597 0.61964
|
|
215 13F 0 -0.00226 0.01377 -0.03119 0.03872 0.06131
|
|
216 13F+1 -0.01577 -0.01271 0.02765 -0.02634 -0.03187
|
|
217 13F-1 0.00444 -0.00925 0.00119 -0.03580 0.01847
|
|
218 13F+2 -0.03681 -0.02740 0.06130 -0.08123 -0.10384
|
|
219 13F-2 0.01090 -0.01722 -0.00692 -0.01723 -0.01672
|
|
220 13F+3 -0.02859 -0.03027 0.05761 -0.03219 -0.02653
|
|
221 13F-3 0.00182 -0.03026 -0.00307 -0.05247 0.00274
|
|
222 14F 0 0.36327 0.28328 -0.43572 -0.19644 0.16410
|
|
223 14F+1 0.00979 -0.07388 0.06273 -0.12580 -0.00886
|
|
224 14F-1 0.09240 -0.00260 -0.07914 0.05436 -0.00521
|
|
225 14F+2 -0.05702 -0.20599 0.28391 0.08635 -0.10794
|
|
226 14F-2 -0.11205 -0.03871 0.32822 0.38178 -0.43327
|
|
227 14F+3 0.15137 0.10346 -0.00694 0.04240 0.05433
|
|
228 14F-3 -0.00613 0.08074 0.22932 0.39845 -0.30983
|
|
229 15G 0 0.00175 -0.02722 0.02833 -0.01728 -0.02499
|
|
230 15G+1 -0.01425 -0.01216 0.03075 0.01084 -0.01904
|
|
231 15G-1 -0.00037 -0.00745 -0.00186 0.03837 -0.01323
|
|
232 15G+2 0.01229 0.00602 -0.02991 0.03889 0.01094
|
|
233 15G-2 -0.00692 0.00517 0.00015 0.00113 0.03546
|
|
234 15G+3 0.01240 0.00142 -0.04878 0.03046 0.03068
|
|
235 15G-3 -0.00083 0.00282 -0.03466 -0.03847 0.05008
|
|
236 15G+4 -0.00457 -0.00096 -0.01710 0.02325 -0.00332
|
|
237 15G-4 0.00003 -0.00678 -0.02652 -0.00770 0.03962
|
|
238 4 H 1S 0.05021 -0.01769 0.15822 0.06951 0.17589
|
|
239 2S 0.90664 -1.10675 -1.25052 1.38640 0.33666
|
|
240 3S -4.03582 5.42384 7.17290 -1.76764 4.29134
|
|
241 4S -1.68374 2.61133 1.30972 -0.86505 0.89315
|
|
242 5S 0.07149 -0.01882 0.19084 0.07503 0.13537
|
|
243 6PX -0.04625 0.05415 -0.10091 -0.12577 -0.15081
|
|
244 6PY -0.03656 0.01899 0.01977 0.01533 -0.04927
|
|
245 6PZ 0.04064 -0.02895 0.06820 0.09177 0.09801
|
|
246 7PX 0.55683 -0.63526 0.40653 1.10421 0.97793
|
|
247 7PY 0.33725 -0.21130 -0.44017 -0.01422 0.17936
|
|
248 7PZ -0.45622 0.37440 -0.28950 -0.78621 -0.65428
|
|
249 8PX -2.46317 2.70593 4.14361 -1.77771 2.12824
|
|
250 8PY -0.52981 1.03383 2.04037 -1.60245 1.28798
|
|
251 8PZ 1.47797 -2.04119 -2.39842 0.54421 -1.44520
|
|
252 9PX -1.03109 1.34870 1.12510 -0.45174 0.77372
|
|
253 9PY -0.31518 0.66873 0.83086 -0.23739 0.68598
|
|
254 9PZ 0.64447 -0.82632 -0.72202 0.27338 -0.44460
|
|
255 10D 0 -0.02702 -0.00050 0.01503 -0.04382 -0.00037
|
|
256 10D+1 0.00561 0.02301 0.13491 -0.01660 0.02988
|
|
257 10D-1 0.01034 0.00376 0.02508 -0.06956 0.06552
|
|
258 10D+2 -0.00638 0.01853 -0.10538 0.01419 -0.03508
|
|
259 10D-2 -0.00347 0.01185 -0.05283 0.10667 -0.08992
|
|
260 11D 0 0.24848 -0.05308 -0.24168 0.34272 -0.03167
|
|
261 11D+1 0.28593 -0.50189 -1.36069 -0.14936 -0.78308
|
|
262 11D-1 -0.04699 -0.10892 -0.24110 0.46759 -0.57279
|
|
263 11D+2 -0.10739 0.01449 0.93724 -0.03716 0.61074
|
|
264 11D-2 -0.00833 -0.01813 0.55114 -0.85053 0.77443
|
|
265 12D 0 0.22838 -0.15708 -0.42667 0.23323 -0.26644
|
|
266 12D+1 0.81628 -0.89173 -1.04085 0.51736 -0.54880
|
|
267 12D-1 0.23419 -0.27678 -0.58979 0.41245 -0.34000
|
|
268 12D+2 -0.35259 0.43977 0.35614 -0.40940 0.03410
|
|
269 12D-2 -0.34134 0.48869 0.87169 -0.58597 0.61964
|
|
270 13F 0 0.00226 0.01377 0.03119 0.03872 0.06131
|
|
271 13F+1 -0.01577 0.01271 0.02765 0.02634 0.03187
|
|
272 13F-1 0.00444 0.00925 0.00119 0.03580 -0.01847
|
|
273 13F+2 0.03681 -0.02740 -0.06130 -0.08123 -0.10384
|
|
274 13F-2 -0.01090 -0.01722 0.00692 -0.01723 -0.01672
|
|
275 13F+3 -0.02859 0.03027 0.05761 0.03219 0.02653
|
|
276 13F-3 0.00182 0.03026 -0.00307 0.05247 -0.00274
|
|
277 14F 0 -0.36327 0.28328 0.43572 -0.19644 0.16410
|
|
278 14F+1 0.00979 0.07388 0.06273 0.12580 0.00886
|
|
279 14F-1 0.09240 0.00260 -0.07914 -0.05436 0.00521
|
|
280 14F+2 0.05702 -0.20599 -0.28391 0.08635 -0.10794
|
|
281 14F-2 0.11205 -0.03871 -0.32822 0.38178 -0.43327
|
|
282 14F+3 0.15137 -0.10346 -0.00694 -0.04240 -0.05433
|
|
283 14F-3 -0.00613 -0.08074 0.22932 -0.39845 0.30983
|
|
284 15G 0 -0.00175 -0.02722 -0.02833 -0.01728 -0.02499
|
|
285 15G+1 -0.01425 0.01216 0.03075 -0.01084 0.01904
|
|
286 15G-1 -0.00037 0.00745 -0.00186 -0.03837 0.01323
|
|
287 15G+2 -0.01229 0.00602 0.02991 0.03889 0.01094
|
|
288 15G-2 0.00692 0.00517 -0.00015 0.00113 0.03546
|
|
289 15G+3 0.01240 -0.00142 -0.04878 -0.03046 -0.03068
|
|
290 15G-3 -0.00083 -0.00282 -0.03466 0.03847 -0.05008
|
|
291 15G+4 0.00457 -0.00096 0.01710 0.02325 -0.00332
|
|
292 15G-4 -0.00003 -0.00678 0.02652 -0.00770 0.03962
|
|
161 162 163 164 165
|
|
V V V V V
|
|
Eigenvalues -- 9.41568 9.48257 9.74642 9.80628 9.80818
|
|
1 1 O 1S -0.00221 -0.02154 0.01165 -0.00498 0.00758
|
|
2 2S -0.00593 0.07478 -0.07040 0.00411 -0.07819
|
|
3 3S -0.03929 -0.08386 -0.02266 -0.10105 -0.15826
|
|
4 4S 0.19048 1.84500 -1.40083 0.69120 -0.48885
|
|
5 5S -1.20678 -0.38771 1.75463 0.24696 -0.22376
|
|
6 6S -1.22152 -0.55575 1.93825 0.08405 -0.71964
|
|
7 7PX 0.02178 0.04447 0.01364 0.04980 -0.06931
|
|
8 7PY -0.07219 -0.09842 -0.00079 -0.05241 -0.05939
|
|
9 7PZ -0.07376 0.04443 -0.07486 -0.04864 0.03753
|
|
10 8PX 0.12080 0.29088 -0.02238 0.23459 -0.35705
|
|
11 8PY -0.41722 -0.48661 0.22533 -0.46924 -0.34849
|
|
12 8PZ -0.23752 0.23880 -0.38475 -0.26399 0.13986
|
|
13 9PX -0.86136 0.20510 -0.94968 -0.24223 0.53351
|
|
14 9PY 1.16584 1.75398 -1.20490 2.14231 0.88048
|
|
15 9PZ 0.38351 0.03271 0.83325 1.62479 -1.20330
|
|
16 10PX 0.12541 -0.35851 1.28104 -1.50955 2.72421
|
|
17 10PY 2.70408 1.84652 0.71001 0.69051 4.44656
|
|
18 10PZ 1.97952 -0.65180 2.40988 0.73284 0.08121
|
|
19 11PX -0.01844 0.09464 0.26432 0.13933 0.02529
|
|
20 11PY 0.06794 0.12041 -0.06869 -0.02422 0.16766
|
|
21 11PZ -0.17724 0.14954 0.15739 -0.02584 0.09501
|
|
22 12D 0 0.03360 0.01708 0.03524 0.03855 -0.03521
|
|
23 12D+1 0.01507 -0.05015 0.04859 -0.00151 0.00518
|
|
24 12D-1 -0.02838 0.02683 0.00898 0.03088 0.02626
|
|
25 12D+2 0.00127 0.00315 0.00806 -0.04917 0.04568
|
|
26 12D-2 0.04528 0.02132 0.01655 0.01653 0.04734
|
|
27 13D 0 -0.43665 -0.16234 -0.62971 -0.47889 0.55830
|
|
28 13D+1 -0.20866 0.67922 -0.78399 0.05863 -0.11002
|
|
29 13D-1 0.48553 -0.40747 -0.15133 -0.42634 -0.42773
|
|
30 13D+2 0.06038 0.06214 -0.35811 0.92570 -0.67561
|
|
31 13D-2 -0.61878 -0.29861 -0.29858 -0.22849 -0.68999
|
|
32 14D 0 1.02873 0.17789 1.44141 1.66303 -1.67974
|
|
33 14D+1 0.39457 -1.16378 1.58789 0.41763 -0.13967
|
|
34 14D-1 -0.08133 0.92864 0.28227 1.38976 0.91482
|
|
35 14D+2 -0.44922 -0.14739 -0.13613 -1.73246 1.42883
|
|
36 14D-2 1.48640 1.07408 0.20850 1.04173 1.87191
|
|
37 15D 0 0.50066 0.10807 0.65614 0.33651 0.02655
|
|
38 15D+1 0.33381 -0.23328 1.01870 -0.13103 0.52034
|
|
39 15D-1 -0.42720 0.29686 0.03684 0.43664 0.48357
|
|
40 15D+2 0.48589 0.01110 0.73067 -1.02730 1.67470
|
|
41 15D-2 0.12838 0.20702 0.09552 0.44300 0.58110
|
|
42 16F 0 -0.00750 -0.01963 0.00124 -0.01904 0.03062
|
|
43 16F+1 -0.02908 0.02471 -0.04877 -0.04167 0.03864
|
|
44 16F-1 -0.00251 0.01170 -0.02667 -0.00152 0.00598
|
|
45 16F+2 -0.00061 0.05168 -0.02697 0.01500 -0.00743
|
|
46 16F-2 -0.03933 -0.01736 -0.01034 -0.03355 -0.03283
|
|
47 16F+3 0.01276 0.03099 0.00415 0.03962 -0.02376
|
|
48 16F-3 -0.01762 0.00112 -0.02212 0.00041 -0.03567
|
|
49 17F 0 0.01372 0.19918 0.03566 0.18351 -0.30954
|
|
50 17F+1 0.29514 -0.25961 0.57802 0.52536 -0.51828
|
|
51 17F-1 0.04552 -0.18438 0.28407 0.08374 -0.05384
|
|
52 17F+2 -0.14218 -0.51366 0.20623 -0.11601 0.03028
|
|
53 17F-2 0.49244 0.22729 0.10890 0.42453 0.36046
|
|
54 17F+3 -0.18705 -0.31789 -0.01719 -0.50571 0.22298
|
|
55 17F-3 0.18607 -0.07686 0.15586 0.05627 0.45816
|
|
56 18F 0 -0.57104 0.26602 -0.09472 0.29287 -0.39146
|
|
57 18F+1 0.30713 -0.23713 0.86416 0.56445 -0.59212
|
|
58 18F-1 -0.04420 -0.13611 -0.16744 0.48053 -0.31178
|
|
59 18F+2 -0.75016 -0.29603 0.51966 -0.47254 0.36409
|
|
60 18F-2 0.38445 0.16104 0.07408 0.63675 0.49408
|
|
61 18F+3 -0.47104 -0.41933 0.36550 -0.81992 0.14007
|
|
62 18F-3 0.08573 -0.03595 -0.47934 0.53489 0.36449
|
|
63 19G 0 0.01007 -0.00227 0.01363 0.00357 0.00268
|
|
64 19G+1 -0.00424 -0.00965 -0.00502 -0.01363 0.01731
|
|
65 19G-1 -0.02907 0.00857 -0.00214 0.00018 0.01095
|
|
66 19G+2 0.00242 0.03074 -0.01207 -0.00295 0.01124
|
|
67 19G-2 -0.00697 0.00251 -0.00107 -0.01241 0.00005
|
|
68 19G+3 0.00753 0.01908 -0.00901 0.01678 -0.00127
|
|
69 19G-3 -0.04176 0.01219 -0.00517 -0.00645 -0.00991
|
|
70 19G+4 0.02248 0.03493 0.00330 0.01165 0.00604
|
|
71 19G-4 -0.00533 0.00141 0.01407 -0.00517 -0.01178
|
|
72 20G 0 -0.19141 0.12910 -0.39916 -0.04379 0.00373
|
|
73 20G+1 0.10883 0.11961 0.17173 0.40872 -0.49327
|
|
74 20G-1 0.39654 -0.15600 0.05041 0.04604 -0.23645
|
|
75 20G+2 0.03642 -0.47867 0.31258 0.25324 -0.25049
|
|
76 20G-2 0.22981 -0.02053 0.06291 0.33865 0.05145
|
|
77 20G+3 -0.23568 -0.47284 0.22873 -0.37681 0.05758
|
|
78 20G-3 0.75937 -0.10085 0.09357 0.29248 0.33280
|
|
79 20G+4 -0.39174 -0.54526 -0.15435 -0.25361 -0.00207
|
|
80 20G-4 0.21221 0.01647 -0.27515 0.17257 0.41353
|
|
81 21H 0 -0.03317 0.01046 -0.01320 -0.01696 0.02156
|
|
82 21H+1 -0.00412 0.00922 -0.00788 0.00250 -0.00839
|
|
83 21H-1 -0.00545 -0.01438 -0.02190 0.01703 -0.00139
|
|
84 21H+2 -0.02523 0.00612 0.00840 0.01268 -0.00767
|
|
85 21H-2 0.00850 -0.00181 0.00782 0.00431 -0.01094
|
|
86 21H+3 0.00042 -0.01254 0.02795 -0.00963 -0.00827
|
|
87 21H-3 0.01425 -0.00999 -0.01057 0.02891 0.01195
|
|
88 21H+4 -0.03835 -0.01403 -0.00208 -0.01331 0.00753
|
|
89 21H-4 0.01812 0.01274 0.01124 0.00438 0.01628
|
|
90 21H+5 -0.01038 -0.00702 0.02690 -0.02819 -0.00892
|
|
91 21H-5 0.00455 -0.02275 -0.03375 0.02248 0.02211
|
|
92 2 O 1S 0.00221 0.02154 0.01165 -0.00498 -0.00758
|
|
93 2S 0.00593 -0.07478 -0.07040 0.00411 0.07819
|
|
94 3S 0.03929 0.08386 -0.02266 -0.10105 0.15826
|
|
95 4S -0.19048 -1.84500 -1.40083 0.69120 0.48885
|
|
96 5S 1.20678 0.38771 1.75463 0.24696 0.22376
|
|
97 6S 1.22152 0.55575 1.93825 0.08405 0.71964
|
|
98 7PX 0.02178 0.04447 -0.01364 -0.04980 -0.06931
|
|
99 7PY -0.07219 -0.09842 0.00079 0.05241 -0.05939
|
|
100 7PZ 0.07376 -0.04443 -0.07486 -0.04864 -0.03753
|
|
101 8PX 0.12080 0.29088 0.02238 -0.23459 -0.35705
|
|
102 8PY -0.41722 -0.48661 -0.22533 0.46924 -0.34849
|
|
103 8PZ 0.23752 -0.23880 -0.38475 -0.26399 -0.13986
|
|
104 9PX -0.86136 0.20510 0.94968 0.24223 0.53351
|
|
105 9PY 1.16584 1.75398 1.20490 -2.14231 0.88048
|
|
106 9PZ -0.38351 -0.03271 0.83325 1.62479 1.20330
|
|
107 10PX 0.12541 -0.35851 -1.28104 1.50955 2.72421
|
|
108 10PY 2.70408 1.84652 -0.71001 -0.69051 4.44656
|
|
109 10PZ -1.97952 0.65180 2.40988 0.73284 -0.08121
|
|
110 11PX -0.01844 0.09464 -0.26432 -0.13933 0.02529
|
|
111 11PY 0.06794 0.12041 0.06869 0.02422 0.16766
|
|
112 11PZ 0.17724 -0.14954 0.15739 -0.02584 -0.09501
|
|
113 12D 0 -0.03360 -0.01708 0.03524 0.03855 0.03521
|
|
114 12D+1 0.01507 -0.05015 -0.04859 0.00151 0.00518
|
|
115 12D-1 -0.02838 0.02683 -0.00898 -0.03088 0.02626
|
|
116 12D+2 -0.00127 -0.00315 0.00806 -0.04917 -0.04568
|
|
117 12D-2 -0.04528 -0.02132 0.01655 0.01653 -0.04734
|
|
118 13D 0 0.43665 0.16234 -0.62971 -0.47889 -0.55830
|
|
119 13D+1 -0.20866 0.67922 0.78399 -0.05863 -0.11002
|
|
120 13D-1 0.48553 -0.40747 0.15133 0.42634 -0.42773
|
|
121 13D+2 -0.06038 -0.06214 -0.35811 0.92570 0.67561
|
|
122 13D-2 0.61878 0.29861 -0.29858 -0.22849 0.68999
|
|
123 14D 0 -1.02873 -0.17789 1.44141 1.66303 1.67974
|
|
124 14D+1 0.39457 -1.16378 -1.58789 -0.41763 -0.13967
|
|
125 14D-1 -0.08133 0.92864 -0.28227 -1.38976 0.91482
|
|
126 14D+2 0.44922 0.14739 -0.13613 -1.73246 -1.42883
|
|
127 14D-2 -1.48640 -1.07408 0.20850 1.04173 -1.87191
|
|
128 15D 0 -0.50066 -0.10807 0.65614 0.33651 -0.02655
|
|
129 15D+1 0.33381 -0.23328 -1.01870 0.13103 0.52034
|
|
130 15D-1 -0.42720 0.29686 -0.03684 -0.43664 0.48357
|
|
131 15D+2 -0.48589 -0.01110 0.73067 -1.02730 -1.67470
|
|
132 15D-2 -0.12838 -0.20702 0.09552 0.44300 -0.58110
|
|
133 16F 0 0.00750 0.01963 0.00124 -0.01904 -0.03062
|
|
134 16F+1 -0.02908 0.02471 0.04877 0.04167 0.03864
|
|
135 16F-1 -0.00251 0.01170 0.02667 0.00152 0.00598
|
|
136 16F+2 0.00061 -0.05168 -0.02697 0.01500 0.00743
|
|
137 16F-2 0.03933 0.01736 -0.01034 -0.03355 0.03283
|
|
138 16F+3 0.01276 0.03099 -0.00415 -0.03962 -0.02376
|
|
139 16F-3 -0.01762 0.00112 0.02212 -0.00041 -0.03567
|
|
140 17F 0 -0.01372 -0.19918 0.03566 0.18351 0.30954
|
|
141 17F+1 0.29514 -0.25961 -0.57802 -0.52536 -0.51828
|
|
142 17F-1 0.04552 -0.18438 -0.28407 -0.08374 -0.05384
|
|
143 17F+2 0.14218 0.51366 0.20623 -0.11601 -0.03028
|
|
144 17F-2 -0.49244 -0.22729 0.10890 0.42453 -0.36046
|
|
145 17F+3 -0.18705 -0.31789 0.01719 0.50571 0.22298
|
|
146 17F-3 0.18607 -0.07686 -0.15586 -0.05627 0.45816
|
|
147 18F 0 0.57104 -0.26602 -0.09472 0.29287 0.39146
|
|
148 18F+1 0.30713 -0.23713 -0.86416 -0.56445 -0.59212
|
|
149 18F-1 -0.04420 -0.13611 0.16744 -0.48053 -0.31178
|
|
150 18F+2 0.75016 0.29603 0.51966 -0.47254 -0.36409
|
|
151 18F-2 -0.38445 -0.16104 0.07408 0.63675 -0.49408
|
|
152 18F+3 -0.47104 -0.41933 -0.36550 0.81992 0.14007
|
|
153 18F-3 0.08573 -0.03595 0.47934 -0.53489 0.36449
|
|
154 19G 0 -0.01007 0.00227 0.01363 0.00357 -0.00268
|
|
155 19G+1 -0.00424 -0.00965 0.00502 0.01363 0.01731
|
|
156 19G-1 -0.02907 0.00857 0.00214 -0.00018 0.01095
|
|
157 19G+2 -0.00242 -0.03074 -0.01207 -0.00295 -0.01124
|
|
158 19G-2 0.00697 -0.00251 -0.00107 -0.01241 -0.00005
|
|
159 19G+3 0.00753 0.01908 0.00901 -0.01678 -0.00127
|
|
160 19G-3 -0.04176 0.01219 0.00517 0.00645 -0.00991
|
|
161 19G+4 -0.02248 -0.03493 0.00330 0.01165 -0.00604
|
|
162 19G-4 0.00533 -0.00141 0.01407 -0.00517 0.01178
|
|
163 20G 0 0.19141 -0.12910 -0.39916 -0.04379 -0.00373
|
|
164 20G+1 0.10883 0.11961 -0.17173 -0.40872 -0.49327
|
|
165 20G-1 0.39654 -0.15600 -0.05041 -0.04604 -0.23645
|
|
166 20G+2 -0.03642 0.47867 0.31258 0.25324 0.25049
|
|
167 20G-2 -0.22981 0.02053 0.06291 0.33865 -0.05145
|
|
168 20G+3 -0.23568 -0.47284 -0.22873 0.37681 0.05758
|
|
169 20G-3 0.75937 -0.10085 -0.09357 -0.29248 0.33280
|
|
170 20G+4 0.39174 0.54526 -0.15435 -0.25361 0.00207
|
|
171 20G-4 -0.21221 -0.01647 -0.27515 0.17257 -0.41353
|
|
172 21H 0 0.03317 -0.01046 -0.01320 -0.01696 -0.02156
|
|
173 21H+1 -0.00412 0.00922 0.00788 -0.00250 -0.00839
|
|
174 21H-1 -0.00545 -0.01438 0.02190 -0.01703 -0.00139
|
|
175 21H+2 0.02523 -0.00612 0.00840 0.01268 0.00767
|
|
176 21H-2 -0.00850 0.00181 0.00782 0.00431 0.01094
|
|
177 21H+3 0.00042 -0.01254 -0.02795 0.00963 -0.00827
|
|
178 21H-3 0.01425 -0.00999 0.01057 -0.02891 0.01195
|
|
179 21H+4 0.03835 0.01403 -0.00208 -0.01331 -0.00753
|
|
180 21H-4 -0.01812 -0.01274 0.01124 0.00438 -0.01628
|
|
181 21H+5 -0.01038 -0.00702 -0.02690 0.02819 -0.00892
|
|
182 21H-5 0.00455 -0.02275 0.03375 -0.02248 0.02211
|
|
183 3 H 1S -0.00036 0.10282 -0.06783 0.00501 -0.06205
|
|
184 2S -0.31623 1.80708 -1.22526 0.66476 -1.11817
|
|
185 3S -0.50656 -1.24200 -1.57022 -0.53286 -2.31301
|
|
186 4S 0.23413 -1.00668 -1.41554 -0.32541 -0.55016
|
|
187 5S 0.01180 0.10446 0.01107 0.03614 0.02019
|
|
188 6PX -0.04676 0.15569 -0.11968 0.02360 -0.10945
|
|
189 6PY 0.03502 0.04952 -0.03681 0.02527 -0.01502
|
|
190 6PZ -0.01896 0.10364 -0.06253 0.03612 -0.09143
|
|
191 7PX 0.34716 -1.31672 0.86316 -0.32153 0.85862
|
|
192 7PY -0.21651 -0.33677 0.23756 -0.11291 0.13808
|
|
193 7PZ 0.20442 -0.87833 0.56020 -0.21982 0.58957
|
|
194 8PX 0.66904 1.77876 0.54371 2.65456 -1.05305
|
|
195 8PY -1.45138 -1.21431 0.44765 -2.04531 -1.70982
|
|
196 8PZ -1.01335 1.42021 -2.00442 -1.29301 1.91247
|
|
197 9PX 0.00605 0.55273 0.67125 0.54543 0.01985
|
|
198 9PY -0.17580 -0.14360 0.40171 -0.41271 -0.18129
|
|
199 9PZ -0.20809 0.35981 -0.07675 -0.17427 0.52200
|
|
200 10D 0 -0.04004 0.00752 -0.08832 -0.08812 0.10587
|
|
201 10D+1 -0.02320 0.08052 -0.11456 0.01874 0.00650
|
|
202 10D-1 -0.07466 -0.03405 -0.01925 -0.06487 -0.04580
|
|
203 10D+2 0.06035 0.05235 -0.02241 0.13900 -0.05767
|
|
204 10D-2 -0.10758 -0.04770 0.00379 -0.04998 -0.09998
|
|
205 11D 0 0.48437 -0.16191 0.87723 0.96142 -1.05419
|
|
206 11D+1 0.08376 -0.37060 0.60010 0.06565 -0.59176
|
|
207 11D-1 0.69365 0.44993 0.08425 0.74218 0.35150
|
|
208 11D+2 -0.59054 -0.30076 -0.27379 -1.20979 0.24583
|
|
209 11D-2 0.77348 0.70422 -0.19917 0.66254 0.87009
|
|
210 12D 0 0.37529 -0.05294 0.73649 0.88401 -0.86800
|
|
211 12D+1 0.33709 -0.89757 0.83595 -0.16425 -0.08275
|
|
212 12D-1 0.46106 0.22363 0.09615 0.63905 0.31646
|
|
213 12D+2 -0.13840 -0.69656 -0.03613 -1.11042 0.64677
|
|
214 12D-2 0.49214 0.32851 -0.23353 0.58934 0.87562
|
|
215 13F 0 -0.01414 0.08055 -0.05920 0.02012 -0.06671
|
|
216 13F+1 0.01222 -0.03603 0.04393 -0.01765 0.03493
|
|
217 13F-1 0.01258 -0.00920 0.00122 0.00036 0.00023
|
|
218 13F+2 0.02199 -0.08749 0.11896 -0.04683 0.09138
|
|
219 13F-2 -0.01109 -0.05263 0.06261 -0.03247 0.04328
|
|
220 13F+3 0.02441 -0.03626 0.06775 -0.03671 0.05687
|
|
221 13F-3 0.02562 -0.04547 0.05549 -0.03358 0.02425
|
|
222 14F 0 -0.04436 -0.15707 -0.02067 -0.31678 0.34954
|
|
223 14F+1 -0.32606 0.25416 -0.72719 -0.58613 0.66904
|
|
224 14F-1 -0.20639 -0.03386 -0.14524 -0.24860 0.07004
|
|
225 14F+2 0.05663 0.46150 -0.35266 0.42027 -0.06805
|
|
226 14F-2 -0.46673 -0.27193 -0.17293 -0.44574 -0.43380
|
|
227 14F+3 0.23498 0.33974 -0.00094 0.71414 -0.18800
|
|
228 14F-3 -0.32173 -0.23738 0.06204 -0.19557 -0.61391
|
|
229 15G 0 -0.01124 -0.01361 -0.02313 -0.03150 0.04577
|
|
230 15G+1 0.03827 -0.01633 0.06783 0.06696 -0.05524
|
|
231 15G-1 -0.01065 -0.00707 0.02956 -0.01019 -0.02677
|
|
232 15G+2 0.00693 -0.02054 0.03408 0.04868 -0.08644
|
|
233 15G-2 0.03232 0.02323 0.01425 0.05748 -0.00571
|
|
234 15G+3 -0.04133 -0.01372 -0.01898 -0.05884 -0.04439
|
|
235 15G-3 0.05653 0.05166 -0.02303 0.06259 0.02144
|
|
236 15G+4 -0.04905 -0.02484 -0.02825 -0.05620 -0.00997
|
|
237 15G-4 -0.00626 0.05054 -0.02169 0.01007 0.04351
|
|
238 4 H 1S 0.00036 -0.10282 -0.06783 0.00501 0.06205
|
|
239 2S 0.31623 -1.80708 -1.22526 0.66476 1.11817
|
|
240 3S 0.50656 1.24200 -1.57022 -0.53286 2.31301
|
|
241 4S -0.23413 1.00668 -1.41554 -0.32541 0.55016
|
|
242 5S -0.01180 -0.10446 0.01107 0.03614 -0.02019
|
|
243 6PX -0.04676 0.15569 0.11968 -0.02360 -0.10945
|
|
244 6PY 0.03502 0.04952 0.03681 -0.02527 -0.01502
|
|
245 6PZ 0.01896 -0.10364 -0.06253 0.03612 0.09143
|
|
246 7PX 0.34716 -1.31672 -0.86316 0.32153 0.85862
|
|
247 7PY -0.21651 -0.33677 -0.23756 0.11291 0.13808
|
|
248 7PZ -0.20442 0.87833 0.56020 -0.21982 -0.58957
|
|
249 8PX 0.66904 1.77876 -0.54371 -2.65456 -1.05305
|
|
250 8PY -1.45138 -1.21431 -0.44765 2.04531 -1.70982
|
|
251 8PZ 1.01335 -1.42021 -2.00442 -1.29301 -1.91247
|
|
252 9PX 0.00605 0.55273 -0.67125 -0.54543 0.01985
|
|
253 9PY -0.17580 -0.14360 -0.40171 0.41271 -0.18129
|
|
254 9PZ 0.20809 -0.35981 -0.07675 -0.17427 -0.52200
|
|
255 10D 0 0.04004 -0.00752 -0.08832 -0.08812 -0.10587
|
|
256 10D+1 -0.02320 0.08052 0.11456 -0.01874 0.00650
|
|
257 10D-1 -0.07466 -0.03405 0.01925 0.06487 -0.04580
|
|
258 10D+2 -0.06035 -0.05235 -0.02241 0.13900 0.05767
|
|
259 10D-2 0.10758 0.04770 0.00379 -0.04998 0.09998
|
|
260 11D 0 -0.48437 0.16191 0.87723 0.96142 1.05419
|
|
261 11D+1 0.08376 -0.37060 -0.60010 -0.06565 -0.59176
|
|
262 11D-1 0.69365 0.44993 -0.08425 -0.74218 0.35150
|
|
263 11D+2 0.59054 0.30076 -0.27379 -1.20979 -0.24583
|
|
264 11D-2 -0.77348 -0.70422 -0.19917 0.66254 -0.87009
|
|
265 12D 0 -0.37529 0.05294 0.73649 0.88401 0.86800
|
|
266 12D+1 0.33709 -0.89757 -0.83595 0.16425 -0.08275
|
|
267 12D-1 0.46106 0.22363 -0.09615 -0.63905 0.31646
|
|
268 12D+2 0.13840 0.69656 -0.03613 -1.11042 -0.64677
|
|
269 12D-2 -0.49214 -0.32851 -0.23353 0.58934 -0.87562
|
|
270 13F 0 0.01414 -0.08055 -0.05920 0.02012 0.06671
|
|
271 13F+1 0.01222 -0.03603 -0.04393 0.01765 0.03493
|
|
272 13F-1 0.01258 -0.00920 -0.00122 -0.00036 0.00023
|
|
273 13F+2 -0.02199 0.08749 0.11896 -0.04683 -0.09138
|
|
274 13F-2 0.01109 0.05263 0.06261 -0.03247 -0.04328
|
|
275 13F+3 0.02441 -0.03626 -0.06775 0.03671 0.05687
|
|
276 13F-3 0.02562 -0.04547 -0.05549 0.03358 0.02425
|
|
277 14F 0 0.04436 0.15707 -0.02067 -0.31678 -0.34954
|
|
278 14F+1 -0.32606 0.25416 0.72719 0.58613 0.66904
|
|
279 14F-1 -0.20639 -0.03386 0.14524 0.24860 0.07004
|
|
280 14F+2 -0.05663 -0.46150 -0.35266 0.42027 0.06805
|
|
281 14F-2 0.46673 0.27193 -0.17293 -0.44574 0.43380
|
|
282 14F+3 0.23498 0.33974 0.00094 -0.71414 -0.18800
|
|
283 14F-3 -0.32173 -0.23738 -0.06204 0.19557 -0.61391
|
|
284 15G 0 0.01124 0.01361 -0.02313 -0.03150 -0.04577
|
|
285 15G+1 0.03827 -0.01633 -0.06783 -0.06696 -0.05524
|
|
286 15G-1 -0.01065 -0.00707 -0.02956 0.01019 -0.02677
|
|
287 15G+2 -0.00693 0.02054 0.03408 0.04868 0.08644
|
|
288 15G-2 -0.03232 -0.02323 0.01425 0.05748 0.00571
|
|
289 15G+3 -0.04133 -0.01372 0.01898 0.05884 -0.04439
|
|
290 15G-3 0.05653 0.05166 0.02303 -0.06259 0.02144
|
|
291 15G+4 0.04905 0.02484 -0.02825 -0.05620 0.00997
|
|
292 15G-4 0.00626 -0.05054 -0.02169 0.01007 -0.04351
|
|
166 167 168 169 170
|
|
V V V V V
|
|
Eigenvalues -- 9.99487 10.04047 10.92942 11.94451 12.24321
|
|
1 1 O 1S 0.00621 0.00461 0.02884 0.05681 0.05407
|
|
2 2S -0.06338 -0.06810 -0.21019 -0.94432 -0.93117
|
|
3 3S -0.14610 -0.19317 -0.59749 -3.79010 -3.90988
|
|
4 4S -0.05424 -0.23807 -0.50373 6.02586 7.49997
|
|
5 5S -1.31965 1.92178 5.52954 2.05549 -2.15301
|
|
6 6S -1.29714 -0.35763 2.35033 -0.16867 -4.11359
|
|
7 7PX 0.01671 0.00956 0.00626 0.04188 0.02477
|
|
8 7PY -0.03298 -0.05146 0.16813 -0.01126 -0.12024
|
|
9 7PZ -0.03696 0.02569 0.00825 0.03669 0.00574
|
|
10 8PX 0.11988 -0.13101 -0.02508 -0.15796 -0.10842
|
|
11 8PY -0.15838 -0.28739 0.10501 0.07409 -0.08262
|
|
12 8PZ -0.30884 0.12718 -0.02810 -0.09735 -0.06501
|
|
13 9PX -1.26616 0.68263 1.27524 2.95065 2.34352
|
|
14 9PY 0.30014 1.19382 0.58913 0.23005 0.39611
|
|
15 9PZ 0.95956 -0.53785 0.89503 1.93729 1.56324
|
|
16 10PX 0.02586 0.26205 -1.62571 -0.65921 -0.08905
|
|
17 10PY 3.28828 2.27388 -4.30260 -0.08281 5.17505
|
|
18 10PZ 1.13405 -0.54596 -1.20248 -0.53715 -0.07475
|
|
19 11PX -0.03742 0.03953 -0.09228 -0.00251 0.09000
|
|
20 11PY 0.18748 0.14107 -0.30232 -0.04766 0.73289
|
|
21 11PZ -0.05305 -0.07154 0.00273 -0.01349 0.03477
|
|
22 12D 0 0.04265 -0.02751 -0.03360 0.00005 0.01187
|
|
23 12D+1 0.03386 -0.01749 -0.01047 -0.01681 -0.00884
|
|
24 12D-1 0.04936 0.01700 0.01009 -0.00220 -0.00450
|
|
25 12D+2 -0.00797 0.00352 -0.06882 -0.01517 0.01319
|
|
26 12D-2 0.01093 0.06702 0.01587 -0.00585 -0.00407
|
|
27 13D 0 -0.66007 0.43803 0.51519 -0.07109 -0.22808
|
|
28 13D+1 -0.55104 0.25726 0.24887 0.32804 0.19695
|
|
29 13D-1 -0.86800 -0.26088 -0.22994 0.08039 0.13213
|
|
30 13D+2 0.11886 -0.05563 1.14630 0.16162 -0.25354
|
|
31 13D-2 -0.18316 -1.16185 -0.28561 0.16977 0.14892
|
|
32 14D 0 1.89081 -1.38345 -1.14436 -0.03593 0.51867
|
|
33 14D+1 1.14880 -0.63997 -0.10713 0.48833 0.50155
|
|
34 14D-1 1.63886 0.94887 0.91301 0.08878 -0.15092
|
|
35 14D+2 -0.84103 0.11967 -2.20949 0.29036 1.37836
|
|
36 14D-2 0.46548 2.78034 1.29076 -0.01877 -0.13264
|
|
37 15D 0 1.02219 -0.25221 -0.98922 0.07846 1.14501
|
|
38 15D+1 0.61263 -0.03013 -0.90472 -0.72998 -0.38304
|
|
39 15D-1 0.92407 0.64083 0.38784 -0.25271 -0.21682
|
|
40 15D+2 0.64846 0.44714 -2.47658 -0.36060 1.73033
|
|
41 15D-2 0.50214 1.26806 0.52777 -0.50003 -0.30704
|
|
42 16F 0 0.00008 0.01508 -0.00090 -0.00422 -0.00746
|
|
43 16F+1 -0.04684 0.03349 0.00374 0.00063 0.00611
|
|
44 16F-1 -0.01336 -0.00293 0.00130 -0.01353 0.00541
|
|
45 16F+2 0.00314 0.00984 0.01086 0.00179 0.00510
|
|
46 16F-2 -0.02177 -0.03422 -0.01068 0.00013 0.00119
|
|
47 16F+3 0.02091 0.01532 0.00886 0.00094 0.00781
|
|
48 16F-3 -0.00548 -0.04046 -0.00489 -0.01582 0.00658
|
|
49 17F 0 0.15049 -0.21122 -0.08051 -0.06577 -0.08064
|
|
50 17F+1 0.56770 -0.40432 0.00257 0.07390 0.06691
|
|
51 17F-1 0.19657 0.05250 0.25713 0.06483 -0.05461
|
|
52 17F+2 0.02518 -0.15136 -0.05740 0.19111 0.14166
|
|
53 17F-2 0.18424 0.42713 0.26509 0.05343 -0.02226
|
|
54 17F+3 -0.31965 -0.05079 -0.10883 0.12703 0.10284
|
|
55 17F-3 0.07033 0.48790 0.51528 0.14724 -0.05785
|
|
56 18F 0 0.45805 -0.12644 0.20471 0.17947 0.12677
|
|
57 18F+1 0.87698 -0.40385 -0.23347 -0.19563 -0.11371
|
|
58 18F-1 0.08669 -0.14459 0.69585 -0.15924 -0.55847
|
|
59 18F+2 0.72032 -0.15367 -0.55740 -0.42849 -0.24288
|
|
60 18F-2 0.55165 0.66270 0.46319 -0.22224 -0.21111
|
|
61 18F+3 -0.21641 0.49303 -0.45367 -0.41375 -0.05271
|
|
62 18F-3 0.00522 0.60832 1.23137 -0.40936 -0.92219
|
|
63 19G 0 0.01283 -0.00239 -0.01852 -0.01422 0.00738
|
|
64 19G+1 -0.00597 0.00749 0.00177 -0.01252 0.00158
|
|
65 19G-1 0.01528 0.00284 0.00373 -0.00022 -0.00077
|
|
66 19G+2 -0.00963 0.01118 -0.02149 0.00136 0.01176
|
|
67 19G-2 -0.01127 0.00731 0.00301 0.00015 0.01289
|
|
68 19G+3 0.00264 0.00463 0.00850 0.00777 0.00307
|
|
69 19G-3 0.00602 -0.00842 0.00097 -0.00227 0.01192
|
|
70 19G+4 0.00612 0.01198 -0.02661 -0.01191 0.02256
|
|
71 19G-4 -0.00134 0.00851 0.00646 -0.00321 0.00663
|
|
72 20G 0 -0.28258 0.10438 0.25152 0.02412 -0.04863
|
|
73 20G+1 0.30937 -0.23803 0.04701 0.06299 0.03404
|
|
74 20G-1 -0.27920 -0.14303 -0.05278 0.04134 0.06645
|
|
75 20G+2 0.36495 -0.29643 0.13678 -0.15613 -0.16755
|
|
76 20G-2 0.29208 -0.07597 0.10813 -0.02697 -0.04886
|
|
77 20G+3 -0.01343 -0.06740 -0.27276 -0.12350 -0.02277
|
|
78 20G-3 -0.05874 0.40315 0.24855 -0.12590 -0.10225
|
|
79 20G+4 -0.13497 -0.10816 0.18547 -0.15301 -0.18910
|
|
80 20G-4 0.03900 -0.01377 0.13589 -0.03638 -0.06454
|
|
81 21H 0 0.01841 0.01397 0.00245 -0.02895 -0.00372
|
|
82 21H+1 -0.00459 0.00482 0.01005 -0.01369 0.04709
|
|
83 21H-1 -0.00703 -0.00737 0.04238 -0.06864 -0.02948
|
|
84 21H+2 0.05207 -0.00636 0.00395 -0.03535 0.01007
|
|
85 21H-2 -0.00215 -0.00785 0.01480 -0.00311 -0.01959
|
|
86 21H+3 0.00191 0.00462 -0.00050 -0.00583 -0.01981
|
|
87 21H-3 0.01627 0.00540 0.02742 -0.07562 0.04702
|
|
88 21H+4 0.01919 -0.01919 -0.00853 0.00918 -0.02136
|
|
89 21H-4 -0.00145 0.02206 -0.01324 -0.00428 0.03587
|
|
90 21H+5 -0.00583 0.03715 0.00352 -0.02800 0.05366
|
|
91 21H-5 0.00826 -0.00511 0.05272 -0.09997 -0.02716
|
|
92 2 O 1S -0.00621 0.00461 -0.02884 0.05681 -0.05407
|
|
93 2S 0.06338 -0.06810 0.21019 -0.94432 0.93117
|
|
94 3S 0.14610 -0.19317 0.59749 -3.79010 3.90988
|
|
95 4S 0.05424 -0.23807 0.50373 6.02586 -7.49997
|
|
96 5S 1.31965 1.92178 -5.52954 2.05549 2.15301
|
|
97 6S 1.29714 -0.35763 -2.35033 -0.16867 4.11359
|
|
98 7PX 0.01671 -0.00956 0.00626 -0.04188 0.02477
|
|
99 7PY -0.03298 0.05146 0.16813 0.01126 -0.12024
|
|
100 7PZ 0.03696 0.02569 -0.00825 0.03669 -0.00574
|
|
101 8PX 0.11988 0.13101 -0.02508 0.15796 -0.10842
|
|
102 8PY -0.15838 0.28739 0.10501 -0.07409 -0.08262
|
|
103 8PZ 0.30884 0.12718 0.02810 -0.09735 0.06501
|
|
104 9PX -1.26616 -0.68263 1.27524 -2.95065 2.34352
|
|
105 9PY 0.30014 -1.19382 0.58913 -0.23005 0.39611
|
|
106 9PZ -0.95956 -0.53785 -0.89503 1.93729 -1.56324
|
|
107 10PX 0.02586 -0.26205 -1.62571 0.65921 -0.08905
|
|
108 10PY 3.28828 -2.27388 -4.30260 0.08281 5.17505
|
|
109 10PZ -1.13405 -0.54596 1.20248 -0.53715 0.07475
|
|
110 11PX -0.03742 -0.03953 -0.09228 0.00251 0.09000
|
|
111 11PY 0.18748 -0.14107 -0.30232 0.04766 0.73289
|
|
112 11PZ 0.05305 -0.07154 -0.00273 -0.01349 -0.03477
|
|
113 12D 0 -0.04265 -0.02751 0.03360 0.00005 -0.01187
|
|
114 12D+1 0.03386 0.01749 -0.01047 0.01681 -0.00884
|
|
115 12D-1 0.04936 -0.01700 0.01009 0.00220 -0.00450
|
|
116 12D+2 0.00797 0.00352 0.06882 -0.01517 -0.01319
|
|
117 12D-2 -0.01093 0.06702 -0.01587 -0.00585 0.00407
|
|
118 13D 0 0.66007 0.43803 -0.51519 -0.07109 0.22808
|
|
119 13D+1 -0.55104 -0.25726 0.24887 -0.32804 0.19695
|
|
120 13D-1 -0.86800 0.26088 -0.22994 -0.08039 0.13213
|
|
121 13D+2 -0.11886 -0.05563 -1.14630 0.16162 0.25354
|
|
122 13D-2 0.18316 -1.16185 0.28561 0.16977 -0.14892
|
|
123 14D 0 -1.89081 -1.38345 1.14436 -0.03593 -0.51867
|
|
124 14D+1 1.14880 0.63997 -0.10713 -0.48833 0.50155
|
|
125 14D-1 1.63886 -0.94887 0.91301 -0.08878 -0.15092
|
|
126 14D+2 0.84103 0.11967 2.20949 0.29036 -1.37836
|
|
127 14D-2 -0.46548 2.78034 -1.29076 -0.01877 0.13264
|
|
128 15D 0 -1.02219 -0.25221 0.98922 0.07846 -1.14501
|
|
129 15D+1 0.61263 0.03013 -0.90472 0.72998 -0.38304
|
|
130 15D-1 0.92407 -0.64083 0.38784 0.25271 -0.21682
|
|
131 15D+2 -0.64846 0.44714 2.47658 -0.36060 -1.73033
|
|
132 15D-2 -0.50214 1.26806 -0.52777 -0.50003 0.30704
|
|
133 16F 0 -0.00008 0.01508 0.00090 -0.00422 0.00746
|
|
134 16F+1 -0.04684 -0.03349 0.00374 -0.00063 0.00611
|
|
135 16F-1 -0.01336 0.00293 0.00130 0.01353 0.00541
|
|
136 16F+2 -0.00314 0.00984 -0.01086 0.00179 -0.00510
|
|
137 16F-2 0.02177 -0.03422 0.01068 0.00013 -0.00119
|
|
138 16F+3 0.02091 -0.01532 0.00886 -0.00094 0.00781
|
|
139 16F-3 -0.00548 0.04046 -0.00489 0.01582 0.00658
|
|
140 17F 0 -0.15049 -0.21122 0.08051 -0.06577 0.08064
|
|
141 17F+1 0.56770 0.40432 0.00257 -0.07390 0.06691
|
|
142 17F-1 0.19657 -0.05250 0.25713 -0.06483 -0.05461
|
|
143 17F+2 -0.02518 -0.15136 0.05740 0.19111 -0.14166
|
|
144 17F-2 -0.18424 0.42713 -0.26509 0.05343 0.02226
|
|
145 17F+3 -0.31965 0.05079 -0.10883 -0.12703 0.10284
|
|
146 17F-3 0.07033 -0.48790 0.51528 -0.14724 -0.05785
|
|
147 18F 0 -0.45805 -0.12644 -0.20471 0.17947 -0.12677
|
|
148 18F+1 0.87698 0.40385 -0.23347 0.19563 -0.11371
|
|
149 18F-1 0.08669 0.14459 0.69585 0.15924 -0.55847
|
|
150 18F+2 -0.72032 -0.15367 0.55740 -0.42849 0.24288
|
|
151 18F-2 -0.55165 0.66270 -0.46319 -0.22224 0.21111
|
|
152 18F+3 -0.21641 -0.49303 -0.45367 0.41375 -0.05271
|
|
153 18F-3 0.00522 -0.60832 1.23137 0.40936 -0.92219
|
|
154 19G 0 -0.01283 -0.00239 0.01852 -0.01422 -0.00738
|
|
155 19G+1 -0.00597 -0.00749 0.00177 0.01252 0.00158
|
|
156 19G-1 0.01528 -0.00284 0.00373 0.00022 -0.00077
|
|
157 19G+2 0.00963 0.01118 0.02149 0.00136 -0.01176
|
|
158 19G-2 0.01127 0.00731 -0.00301 0.00015 -0.01289
|
|
159 19G+3 0.00264 -0.00463 0.00850 -0.00777 0.00307
|
|
160 19G-3 0.00602 0.00842 0.00097 0.00227 0.01192
|
|
161 19G+4 -0.00612 0.01198 0.02661 -0.01191 -0.02256
|
|
162 19G-4 0.00134 0.00851 -0.00646 -0.00321 -0.00663
|
|
163 20G 0 0.28258 0.10438 -0.25152 0.02412 0.04863
|
|
164 20G+1 0.30937 0.23803 0.04701 -0.06299 0.03404
|
|
165 20G-1 -0.27920 0.14303 -0.05278 -0.04134 0.06645
|
|
166 20G+2 -0.36495 -0.29643 -0.13678 -0.15613 0.16755
|
|
167 20G-2 -0.29208 -0.07597 -0.10813 -0.02697 0.04886
|
|
168 20G+3 -0.01343 0.06740 -0.27276 0.12350 -0.02277
|
|
169 20G-3 -0.05874 -0.40315 0.24855 0.12590 -0.10225
|
|
170 20G+4 0.13497 -0.10816 -0.18547 -0.15301 0.18910
|
|
171 20G-4 -0.03900 -0.01377 -0.13589 -0.03638 0.06454
|
|
172 21H 0 -0.01841 0.01397 -0.00245 -0.02895 0.00372
|
|
173 21H+1 -0.00459 -0.00482 0.01005 0.01369 0.04709
|
|
174 21H-1 -0.00703 0.00737 0.04238 0.06864 -0.02948
|
|
175 21H+2 -0.05207 -0.00636 -0.00395 -0.03535 -0.01007
|
|
176 21H-2 0.00215 -0.00785 -0.01480 -0.00311 0.01959
|
|
177 21H+3 0.00191 -0.00462 -0.00050 0.00583 -0.01981
|
|
178 21H-3 0.01627 -0.00540 0.02742 0.07562 0.04702
|
|
179 21H+4 -0.01919 -0.01919 0.00853 0.00918 0.02136
|
|
180 21H-4 0.00145 0.02206 0.01324 -0.00428 -0.03587
|
|
181 21H+5 -0.00583 -0.03715 0.00352 0.02800 0.05366
|
|
182 21H-5 0.00826 0.00511 0.05272 0.09997 -0.02716
|
|
183 3 H 1S -0.04367 -0.06359 -0.07261 -0.32430 -0.26902
|
|
184 2S -0.89969 -0.20153 0.81686 2.27381 1.73730
|
|
185 3S -0.48992 -1.57117 -0.08718 -3.76222 -3.62094
|
|
186 4S 0.23745 0.44760 0.27122 -0.47514 -0.83307
|
|
187 5S -0.03287 -0.08267 -0.03588 -0.06968 -0.20955
|
|
188 6PX -0.07198 -0.03238 0.02318 0.04108 0.00388
|
|
189 6PY -0.02710 -0.01382 0.01318 0.00963 0.00853
|
|
190 6PZ -0.03115 -0.03309 0.01523 0.02646 0.00227
|
|
191 7PX 0.48921 0.16830 -0.30273 -0.61542 -0.39674
|
|
192 7PY 0.28878 0.25161 0.00608 -0.14770 -0.10498
|
|
193 7PZ 0.33641 0.12282 -0.22543 -0.40948 -0.28347
|
|
194 8PX 1.07139 0.05855 1.54628 3.22348 2.50026
|
|
195 8PY -1.32129 -2.70998 -1.98881 0.89168 1.02426
|
|
196 8PZ -2.42000 1.87979 1.03618 2.14292 1.77014
|
|
197 9PX 0.22721 -0.08416 0.25193 0.87261 1.02602
|
|
198 9PY -0.35463 -0.88514 -0.56115 0.32664 0.43649
|
|
199 9PZ -0.48896 0.37385 0.12587 0.62302 0.69113
|
|
200 10D 0 -0.09439 0.06721 0.01342 -0.04124 -0.01260
|
|
201 10D+1 -0.09035 0.03845 0.06468 0.08023 0.05024
|
|
202 10D-1 -0.04553 -0.02656 -0.03236 0.02462 0.00876
|
|
203 10D+2 0.02301 -0.01146 0.10006 -0.02436 0.07469
|
|
204 10D-2 -0.00664 -0.08745 -0.03713 0.02905 0.00358
|
|
205 11D 0 0.98559 -0.77442 -0.08345 0.12088 0.05581
|
|
206 11D+1 0.61258 -0.59973 -0.53905 -0.89286 -0.68265
|
|
207 11D-1 0.46002 0.51299 0.41557 -0.22163 -0.25565
|
|
208 11D+2 -0.66825 -0.11625 -0.65110 -0.53599 -0.47464
|
|
209 11D-2 0.23273 1.01332 0.61159 -0.31894 -0.34527
|
|
210 12D 0 0.87359 -0.82910 -0.07068 0.14616 0.08461
|
|
211 12D+1 0.77566 -0.53713 -0.90500 -1.51002 -1.16813
|
|
212 12D-1 0.59896 0.65209 0.43954 -0.38551 -0.47140
|
|
213 12D+2 -0.53586 -0.28012 -0.89553 -0.97736 -0.75393
|
|
214 12D-2 0.47305 1.22248 0.66259 -0.56610 -0.66050
|
|
215 13F 0 -0.04424 -0.02407 -0.01671 0.14246 0.02750
|
|
216 13F+1 0.02484 0.01099 -0.02781 -0.02624 -0.02964
|
|
217 13F-1 -0.01365 -0.03720 0.00182 0.04973 -0.23558
|
|
218 13F+2 0.06202 0.03306 -0.08109 -0.05285 -0.10027
|
|
219 13F-2 0.05250 0.04202 -0.01524 -0.04515 0.04832
|
|
220 13F+3 0.02921 0.01240 -0.09022 0.03156 -0.10771
|
|
221 13F-3 -0.00376 -0.00713 0.00100 0.03474 -0.13330
|
|
222 14F 0 -0.06782 0.22517 -0.16420 -0.50569 -0.34406
|
|
223 14F+1 -0.79345 0.59408 0.21328 0.23446 0.19263
|
|
224 14F-1 -0.21645 0.04501 -0.03480 0.03049 0.18310
|
|
225 14F+2 -0.09964 0.33354 0.56800 0.65742 0.51497
|
|
226 14F-2 -0.41324 -0.56672 -0.27489 0.33693 0.34665
|
|
227 14F+3 0.37955 0.22406 0.50665 0.27527 0.27441
|
|
228 14F-3 -0.09940 -0.55413 -0.23749 0.25242 0.37226
|
|
229 15G 0 -0.02945 0.03610 0.02328 -0.01184 0.01304
|
|
230 15G+1 0.07045 -0.04964 -0.00347 0.05839 0.01140
|
|
231 15G-1 0.02145 0.01761 -0.04153 -0.00714 0.11290
|
|
232 15G+2 0.05218 -0.06054 0.00031 -0.10613 -0.05641
|
|
233 15G-2 0.04971 0.00428 0.02740 -0.03368 -0.02692
|
|
234 15G+3 -0.04510 -0.05808 -0.06380 0.00333 -0.05736
|
|
235 15G-3 0.00985 0.06682 0.04921 -0.04076 -0.06900
|
|
236 15G+4 -0.04977 -0.03562 -0.01121 -0.07494 -0.04686
|
|
237 15G-4 0.01508 0.06976 0.01620 -0.07183 0.02563
|
|
238 4 H 1S 0.04367 -0.06359 0.07261 -0.32430 0.26902
|
|
239 2S 0.89969 -0.20153 -0.81686 2.27381 -1.73730
|
|
240 3S 0.48992 -1.57117 0.08718 -3.76222 3.62094
|
|
241 4S -0.23745 0.44760 -0.27122 -0.47514 0.83307
|
|
242 5S 0.03287 -0.08267 0.03588 -0.06968 0.20955
|
|
243 6PX -0.07198 0.03238 0.02318 -0.04108 0.00388
|
|
244 6PY -0.02710 0.01382 0.01318 -0.00963 0.00853
|
|
245 6PZ 0.03115 -0.03309 -0.01523 0.02646 -0.00227
|
|
246 7PX 0.48921 -0.16830 -0.30273 0.61542 -0.39674
|
|
247 7PY 0.28878 -0.25161 0.00608 0.14770 -0.10498
|
|
248 7PZ -0.33641 0.12282 0.22543 -0.40948 0.28347
|
|
249 8PX 1.07139 -0.05855 1.54628 -3.22348 2.50026
|
|
250 8PY -1.32129 2.70998 -1.98881 -0.89168 1.02426
|
|
251 8PZ 2.42000 1.87979 -1.03618 2.14292 -1.77014
|
|
252 9PX 0.22721 0.08416 0.25193 -0.87261 1.02602
|
|
253 9PY -0.35463 0.88514 -0.56115 -0.32664 0.43649
|
|
254 9PZ 0.48896 0.37385 -0.12587 0.62302 -0.69113
|
|
255 10D 0 0.09439 0.06721 -0.01342 -0.04124 0.01260
|
|
256 10D+1 -0.09035 -0.03845 0.06468 -0.08023 0.05024
|
|
257 10D-1 -0.04553 0.02656 -0.03236 -0.02462 0.00876
|
|
258 10D+2 -0.02301 -0.01146 -0.10006 -0.02436 -0.07469
|
|
259 10D-2 0.00664 -0.08745 0.03713 0.02905 -0.00358
|
|
260 11D 0 -0.98559 -0.77442 0.08345 0.12088 -0.05581
|
|
261 11D+1 0.61258 0.59973 -0.53905 0.89286 -0.68265
|
|
262 11D-1 0.46002 -0.51299 0.41557 0.22163 -0.25565
|
|
263 11D+2 0.66825 -0.11625 0.65110 -0.53599 0.47464
|
|
264 11D-2 -0.23273 1.01332 -0.61159 -0.31894 0.34527
|
|
265 12D 0 -0.87359 -0.82910 0.07068 0.14616 -0.08461
|
|
266 12D+1 0.77566 0.53713 -0.90500 1.51002 -1.16813
|
|
267 12D-1 0.59896 -0.65209 0.43954 0.38551 -0.47140
|
|
268 12D+2 0.53586 -0.28012 0.89553 -0.97736 0.75393
|
|
269 12D-2 -0.47305 1.22248 -0.66259 -0.56610 0.66050
|
|
270 13F 0 0.04424 -0.02407 0.01671 0.14246 -0.02750
|
|
271 13F+1 0.02484 -0.01099 -0.02781 0.02624 -0.02964
|
|
272 13F-1 -0.01365 0.03720 0.00182 -0.04973 -0.23558
|
|
273 13F+2 -0.06202 0.03306 0.08109 -0.05285 0.10027
|
|
274 13F-2 -0.05250 0.04202 0.01524 -0.04515 -0.04832
|
|
275 13F+3 0.02921 -0.01240 -0.09022 -0.03156 -0.10771
|
|
276 13F-3 -0.00376 0.00713 0.00100 -0.03474 -0.13330
|
|
277 14F 0 0.06782 0.22517 0.16420 -0.50569 0.34406
|
|
278 14F+1 -0.79345 -0.59408 0.21328 -0.23446 0.19263
|
|
279 14F-1 -0.21645 -0.04501 -0.03480 -0.03049 0.18310
|
|
280 14F+2 0.09964 0.33354 -0.56800 0.65742 -0.51497
|
|
281 14F-2 0.41324 -0.56672 0.27489 0.33693 -0.34665
|
|
282 14F+3 0.37955 -0.22406 0.50665 -0.27527 0.27441
|
|
283 14F-3 -0.09940 0.55413 -0.23749 -0.25242 0.37226
|
|
284 15G 0 0.02945 0.03610 -0.02328 -0.01184 -0.01304
|
|
285 15G+1 0.07045 0.04964 -0.00347 -0.05839 0.01140
|
|
286 15G-1 0.02145 -0.01761 -0.04153 0.00714 0.11290
|
|
287 15G+2 -0.05218 -0.06054 -0.00031 -0.10613 0.05641
|
|
288 15G-2 -0.04971 0.00428 -0.02740 -0.03368 0.02692
|
|
289 15G+3 -0.04510 0.05808 -0.06380 -0.00333 -0.05736
|
|
290 15G-3 0.00985 -0.06682 0.04921 0.04076 -0.06900
|
|
291 15G+4 0.04977 -0.03562 0.01121 -0.07494 0.04686
|
|
292 15G-4 -0.01508 0.06976 -0.01620 -0.07183 -0.02563
|
|
171 172 173 174 175
|
|
V V V V V
|
|
Eigenvalues -- 12.25744 12.36605 12.41748 12.42158 12.47509
|
|
1 1 O 1S -0.00283 0.01529 0.00229 0.01365 -0.00584
|
|
2 2S 0.02735 -0.27603 -0.02268 -0.23304 0.09071
|
|
3 3S 0.09892 -1.17130 -0.09501 -0.99197 0.38187
|
|
4 4S -0.11535 2.29730 0.13426 1.97906 -0.67476
|
|
5 5S -0.01383 -0.84840 0.29857 -0.89108 -0.11643
|
|
6 6S 0.15122 -1.15374 0.39172 -1.36445 0.03082
|
|
7 7PX 0.00689 0.01318 -0.04083 -0.01804 0.00414
|
|
8 7PY -0.00010 -0.03839 -0.03235 -0.05003 0.01698
|
|
9 7PZ 0.00812 0.00563 0.00266 0.00116 -0.01132
|
|
10 8PX -0.00164 -0.02614 0.02515 -0.00667 0.00119
|
|
11 8PY -0.00368 -0.00743 0.01151 -0.00851 -0.00684
|
|
12 8PZ -0.00076 -0.02345 -0.00189 -0.01244 0.01613
|
|
13 9PX -0.03965 0.60371 0.08640 0.48579 -0.25282
|
|
14 9PY 0.00684 0.02411 0.10822 0.01712 -0.01611
|
|
15 9PZ -0.02616 0.45552 0.10055 0.34874 -0.20843
|
|
16 10PX 0.12001 0.02678 0.69660 0.16781 -0.24236
|
|
17 10PY -0.01330 1.80805 -0.09740 1.97202 -0.47034
|
|
18 10PZ 0.01510 0.01702 0.21849 0.08548 0.06214
|
|
19 11PX 0.02775 0.05909 0.02564 0.02251 -0.03556
|
|
20 11PY -0.00930 0.23506 -0.06682 0.24502 -0.01247
|
|
21 11PZ 0.01535 0.07028 0.04898 0.02022 0.01200
|
|
22 12D 0 0.00126 0.00468 -0.00057 0.00474 -0.00422
|
|
23 12D+1 -0.00248 -0.00754 0.00283 -0.00213 0.00436
|
|
24 12D-1 0.00023 0.00444 0.00282 -0.00256 0.00491
|
|
25 12D+2 0.00074 0.00502 0.00296 0.00669 -0.00223
|
|
26 12D-2 0.00110 -0.00753 -0.00224 -0.00350 -0.00475
|
|
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|
|
260 11D 0 0.04557 -0.06374 -0.04582 -0.03206 0.08393
|
|
261 11D+1 -0.03067 -0.18679 0.07333 -0.17482 0.12974
|
|
262 11D-1 0.02552 0.07308 -0.08707 -0.07317 0.09895
|
|
263 11D+2 0.04257 0.04931 -0.11820 0.07737 0.00971
|
|
264 11D-2 -0.01332 0.19067 0.01811 0.03055 0.02500
|
|
265 12D 0 -0.00931 -0.06455 0.05046 -0.07612 0.01619
|
|
266 12D+1 0.03142 -0.34704 0.04347 -0.20259 0.18497
|
|
267 12D-1 0.00502 -0.08134 0.02589 -0.10509 0.11742
|
|
268 12D+2 0.02034 0.21778 -0.02329 0.17061 -0.03975
|
|
269 12D-2 0.02078 0.22804 -0.12596 0.20971 -0.03085
|
|
270 13F 0 0.28189 0.05545 -0.00005 -0.25496 0.18395
|
|
271 13F+1 0.16962 0.00864 0.07480 -0.15515 -0.15185
|
|
272 13F-1 -0.03599 0.42346 0.19905 0.15699 0.15931
|
|
273 13F+2 0.34551 0.26267 -0.03775 -0.22744 -0.13657
|
|
274 13F-2 0.05581 -0.11240 0.32407 0.16152 -0.23723
|
|
275 13F+3 0.17339 0.30677 0.04928 -0.20519 -0.17156
|
|
276 13F-3 0.03336 -0.16074 0.35149 0.12418 -0.38422
|
|
277 14F 0 -0.14464 0.08284 -0.01492 0.18982 -0.17304
|
|
278 14F+1 -0.07671 0.04385 -0.03139 0.09049 0.05822
|
|
279 14F-1 0.01669 -0.24536 -0.06446 -0.06547 -0.12191
|
|
280 14F+2 -0.17024 -0.25685 0.05378 0.00712 0.10649
|
|
281 14F-2 -0.02521 -0.02966 -0.15355 -0.16357 0.16748
|
|
282 14F+3 -0.05499 -0.11529 -0.02574 0.13751 0.07972
|
|
283 14F-3 -0.00464 0.20358 -0.19611 0.02503 0.20774
|
|
284 15G 0 -0.26806 -0.12703 -0.07822 0.00287 0.20821
|
|
285 15G+1 -0.03962 -0.02378 -0.02691 0.02348 0.10711
|
|
286 15G-1 0.05776 -0.10256 -0.15728 -0.33120 -0.08835
|
|
287 15G+2 -0.06876 -0.10933 -0.13514 -0.03752 0.16284
|
|
288 15G-2 -0.04113 0.01852 0.05192 -0.09329 -0.01776
|
|
289 15G+3 0.16507 -0.06807 -0.15742 -0.16050 0.07080
|
|
290 15G-3 0.09961 0.01195 0.14075 -0.09930 -0.08757
|
|
291 15G+4 0.18503 -0.00886 -0.19967 -0.14853 -0.01370
|
|
292 15G-4 0.11181 0.07742 0.16329 -0.01846 -0.13461
|
|
176 177 178 179 180
|
|
V V V V V
|
|
Eigenvalues -- 12.53545 12.55330 12.55469 12.59899 12.62541
|
|
1 1 O 1S 0.00534 0.00188 0.00763 0.01184 0.01066
|
|
2 2S -0.09062 -0.07759 -0.10900 -0.11592 -0.13628
|
|
3 3S -0.36717 -0.36798 -0.44106 -0.46574 -0.56260
|
|
4 4S 0.55001 0.95446 0.69154 0.84192 1.07027
|
|
5 5S 0.28773 -0.90418 0.14585 -0.42938 -0.62749
|
|
6 6S -0.10113 -1.31218 0.06662 -0.26171 -0.72461
|
|
7 7PX 0.02169 -0.00651 0.01034 -0.05518 -0.02108
|
|
8 7PY 0.00205 -0.04153 -0.00468 -0.05298 -0.00849
|
|
9 7PZ 0.01820 0.01365 0.01312 -0.02525 0.00565
|
|
10 8PX -0.02437 -0.00589 -0.01541 0.06081 0.02192
|
|
11 8PY 0.03510 -0.02167 0.04671 0.04356 0.01686
|
|
12 8PZ -0.01552 -0.01163 -0.00603 0.02241 -0.00570
|
|
13 9PX 0.23086 0.13880 0.27129 0.11386 0.15323
|
|
14 9PY -0.13119 -0.04253 -0.12042 0.11498 -0.08357
|
|
15 9PZ 0.12642 0.11214 0.13085 0.16640 0.18831
|
|
16 10PX -0.14694 0.34683 -0.13641 0.09427 -0.08214
|
|
17 10PY 0.19287 1.95812 -0.04397 -0.25050 0.90733
|
|
18 10PZ -0.10380 0.02864 -0.04156 -0.13251 -0.29073
|
|
19 11PX 0.00878 0.03052 -0.00936 -0.02643 0.00823
|
|
20 11PY 0.04487 0.28755 -0.01060 -0.09943 0.12798
|
|
21 11PZ -0.01440 0.00948 0.02354 -0.01155 0.00490
|
|
22 12D 0 -0.00342 0.00081 -0.00412 0.00090 0.00016
|
|
23 12D+1 -0.00061 0.00125 -0.00108 0.00363 -0.00066
|
|
24 12D-1 -0.00026 0.00086 0.00679 -0.00504 -0.00328
|
|
25 12D+2 -0.00785 0.00199 -0.00601 0.00441 0.00034
|
|
26 12D-2 0.00094 0.00132 -0.00558 0.00147 -0.00172
|
|
27 13D 0 -0.00778 -0.08655 -0.01376 -0.02099 -0.03802
|
|
28 13D+1 0.04455 0.01057 0.02533 -0.02841 -0.00694
|
|
29 13D-1 -0.00094 -0.03616 0.02844 -0.02992 -0.06068
|
|
30 13D+2 0.00762 -0.14140 -0.01101 -0.01780 -0.03860
|
|
31 13D-2 -0.01586 0.03092 -0.00088 0.08065 0.04776
|
|
32 14D 0 -0.03627 0.23306 -0.02593 0.06309 0.10661
|
|
33 14D+1 -0.01204 0.05067 0.03186 0.10370 0.06357
|
|
34 14D-1 0.02494 0.03821 -0.06737 0.10106 0.11389
|
|
35 14D+2 -0.00033 0.41442 0.04795 0.01686 0.09448
|
|
36 14D-2 0.05519 -0.12876 0.02157 -0.12585 -0.10737
|
|
37 15D 0 0.04641 0.44742 0.06018 -0.01359 0.21868
|
|
38 15D+1 -0.10960 0.09519 -0.03421 -0.11697 -0.04117
|
|
39 15D-1 0.04190 0.22049 -0.16062 -0.10865 0.27045
|
|
40 15D+2 0.09039 0.79318 0.05247 -0.22259 0.27726
|
|
41 15D-2 0.08050 0.07026 0.05499 -0.58491 0.02602
|
|
42 16F 0 0.00219 -0.00102 0.00065 -0.00632 0.00140
|
|
43 16F+1 0.00055 0.00116 0.00214 0.00301 0.00067
|
|
44 16F-1 -0.00511 -0.00647 -0.00117 0.00105 -0.00162
|
|
45 16F+2 0.00194 0.00309 0.00298 0.01513 0.01440
|
|
46 16F-2 -0.00156 0.00405 0.00680 0.00729 0.00201
|
|
47 16F+3 -0.00050 0.00094 0.00255 0.00234 -0.00437
|
|
48 16F-3 -0.00142 -0.00919 -0.00365 0.00923 -0.00058
|
|
49 17F 0 -0.01728 -0.05157 -0.02117 0.03996 -0.00523
|
|
50 17F+1 0.01251 0.00259 -0.00835 0.02228 -0.00196
|
|
51 17F-1 -0.00156 -0.04377 0.07892 -0.00286 -0.01524
|
|
52 17F+2 0.03429 0.00372 0.01951 0.02420 0.00052
|
|
53 17F-2 -0.01075 -0.00755 0.04682 -0.02500 0.00411
|
|
54 17F+3 -0.01538 -0.04756 0.02161 0.04687 -0.04409
|
|
55 17F-3 0.03816 -0.07862 -0.02339 0.02561 -0.00659
|
|
56 18F 0 0.05042 0.18607 0.06692 -0.05181 0.17205
|
|
57 18F+1 -0.04118 0.04595 -0.01009 -0.03848 0.04176
|
|
58 18F-1 -0.01552 -0.16323 -0.16316 0.04031 -0.01894
|
|
59 18F+2 -0.06405 0.17269 0.00895 -0.07163 0.14331
|
|
60 18F-2 0.01599 -0.01425 -0.17566 0.01073 0.00926
|
|
61 18F+3 0.08623 0.14023 0.04590 -0.37724 0.05103
|
|
62 18F-3 -0.07299 -0.19052 -0.00512 -0.08238 -0.09492
|
|
63 19G 0 0.00094 0.01103 0.00189 -0.00991 -0.00162
|
|
64 19G+1 0.00295 0.01977 0.01086 -0.01248 -0.00394
|
|
65 19G-1 0.01498 0.00882 -0.00907 -0.00746 -0.00281
|
|
66 19G+2 -0.01279 -0.00062 0.00633 -0.00652 0.00525
|
|
67 19G-2 0.00993 0.00283 -0.02942 0.01379 0.00145
|
|
68 19G+3 0.00526 0.01671 0.00435 -0.01133 -0.00406
|
|
69 19G-3 0.00696 -0.00546 0.00618 0.01479 -0.00142
|
|
70 19G+4 0.00964 0.02194 -0.01802 -0.01009 0.00450
|
|
71 19G-4 -0.00286 0.01205 0.02424 -0.00259 -0.00791
|
|
72 20G 0 -0.01571 -0.05915 0.00501 -0.02191 0.05068
|
|
73 20G+1 0.00037 0.00889 -0.01391 0.03479 0.01854
|
|
74 20G-1 0.00899 -0.09657 0.00850 0.01869 -0.10541
|
|
75 20G+2 -0.03483 -0.05627 -0.04376 -0.00795 0.05111
|
|
76 20G-2 -0.05218 -0.00350 0.00717 0.02181 0.00746
|
|
77 20G+3 -0.00671 0.03110 0.01363 0.01786 -0.01028
|
|
78 20G-3 0.00744 -0.06639 -0.01741 -0.01473 -0.03705
|
|
79 20G+4 -0.02002 -0.06913 -0.00964 -0.02987 0.03163
|
|
80 20G-4 -0.04426 -0.03864 -0.07199 0.11572 -0.01643
|
|
81 21H 0 0.04735 -0.01448 0.04094 0.08944 -0.07545
|
|
82 21H+1 0.03701 0.06449 0.00624 -0.06813 -0.04633
|
|
83 21H-1 -0.09605 0.10554 0.01152 -0.03249 0.03065
|
|
84 21H+2 0.02138 0.01827 0.10835 0.02332 -0.04024
|
|
85 21H-2 0.09708 0.11454 -0.07536 -0.02359 0.05452
|
|
86 21H+3 -0.01541 0.01301 0.06642 -0.03164 -0.07450
|
|
87 21H-3 0.03397 -0.06403 -0.12191 0.08429 -0.02130
|
|
88 21H+4 0.05724 0.02636 -0.04239 -0.09929 0.05621
|
|
89 21H-4 -0.06157 0.09681 0.02455 -0.00820 -0.00093
|
|
90 21H+5 0.01500 0.07257 -0.02815 0.03381 -0.09836
|
|
91 21H-5 0.07324 0.03746 0.13831 -0.06249 0.01809
|
|
92 2 O 1S 0.00534 -0.00188 0.00763 0.01184 -0.01066
|
|
93 2S -0.09062 0.07759 -0.10900 -0.11592 0.13628
|
|
94 3S -0.36717 0.36798 -0.44106 -0.46574 0.56260
|
|
95 4S 0.55001 -0.95446 0.69154 0.84192 -1.07027
|
|
96 5S 0.28773 0.90418 0.14585 -0.42938 0.62749
|
|
97 6S -0.10113 1.31218 0.06662 -0.26171 0.72461
|
|
98 7PX -0.02169 -0.00651 -0.01034 0.05518 -0.02108
|
|
99 7PY -0.00205 -0.04153 0.00468 0.05298 -0.00849
|
|
100 7PZ 0.01820 -0.01365 0.01312 -0.02525 -0.00565
|
|
101 8PX 0.02437 -0.00589 0.01541 -0.06081 0.02192
|
|
102 8PY -0.03510 -0.02167 -0.04671 -0.04356 0.01686
|
|
103 8PZ -0.01552 0.01163 -0.00603 0.02241 0.00570
|
|
104 9PX -0.23086 0.13880 -0.27129 -0.11386 0.15323
|
|
105 9PY 0.13119 -0.04253 0.12042 -0.11498 -0.08357
|
|
106 9PZ 0.12642 -0.11214 0.13085 0.16640 -0.18831
|
|
107 10PX 0.14694 0.34683 0.13641 -0.09427 -0.08214
|
|
108 10PY -0.19287 1.95812 0.04397 0.25050 0.90733
|
|
109 10PZ -0.10380 -0.02864 -0.04156 -0.13251 0.29073
|
|
110 11PX -0.00878 0.03052 0.00936 0.02643 0.00823
|
|
111 11PY -0.04487 0.28755 0.01060 0.09943 0.12798
|
|
112 11PZ -0.01440 -0.00948 0.02354 -0.01155 -0.00490
|
|
113 12D 0 -0.00342 -0.00081 -0.00412 0.00090 -0.00016
|
|
114 12D+1 0.00061 0.00125 0.00108 -0.00363 -0.00066
|
|
115 12D-1 0.00026 0.00086 -0.00679 0.00504 -0.00328
|
|
116 12D+2 -0.00785 -0.00199 -0.00601 0.00441 -0.00034
|
|
117 12D-2 0.00094 -0.00132 -0.00558 0.00147 0.00172
|
|
118 13D 0 -0.00778 0.08655 -0.01376 -0.02099 0.03802
|
|
119 13D+1 -0.04455 0.01057 -0.02533 0.02841 -0.00694
|
|
120 13D-1 0.00094 -0.03616 -0.02844 0.02992 -0.06068
|
|
121 13D+2 0.00762 0.14140 -0.01101 -0.01780 0.03860
|
|
122 13D-2 -0.01586 -0.03092 -0.00088 0.08065 -0.04776
|
|
123 14D 0 -0.03627 -0.23306 -0.02593 0.06309 -0.10661
|
|
124 14D+1 0.01204 0.05067 -0.03186 -0.10370 0.06357
|
|
125 14D-1 -0.02494 0.03821 0.06737 -0.10106 0.11389
|
|
126 14D+2 -0.00033 -0.41442 0.04795 0.01686 -0.09448
|
|
127 14D-2 0.05519 0.12876 0.02157 -0.12585 0.10737
|
|
128 15D 0 0.04641 -0.44742 0.06018 -0.01359 -0.21868
|
|
129 15D+1 0.10960 0.09519 0.03421 0.11697 -0.04117
|
|
130 15D-1 -0.04190 0.22049 0.16062 0.10865 0.27045
|
|
131 15D+2 0.09039 -0.79318 0.05247 -0.22259 -0.27726
|
|
132 15D-2 0.08050 -0.07026 0.05499 -0.58491 -0.02602
|
|
133 16F 0 0.00219 0.00102 0.00065 -0.00632 -0.00140
|
|
134 16F+1 -0.00055 0.00116 -0.00214 -0.00301 0.00067
|
|
135 16F-1 0.00511 -0.00647 0.00117 -0.00105 -0.00162
|
|
136 16F+2 0.00194 -0.00309 0.00298 0.01513 -0.01440
|
|
137 16F-2 -0.00156 -0.00405 0.00680 0.00729 -0.00201
|
|
138 16F+3 0.00050 0.00094 -0.00255 -0.00234 -0.00437
|
|
139 16F-3 0.00142 -0.00919 0.00365 -0.00923 -0.00058
|
|
140 17F 0 -0.01728 0.05157 -0.02117 0.03996 0.00523
|
|
141 17F+1 -0.01251 0.00259 0.00835 -0.02228 -0.00196
|
|
142 17F-1 0.00156 -0.04377 -0.07892 0.00286 -0.01524
|
|
143 17F+2 0.03429 -0.00372 0.01951 0.02420 -0.00052
|
|
144 17F-2 -0.01075 0.00755 0.04682 -0.02500 -0.00411
|
|
145 17F+3 0.01538 -0.04756 -0.02161 -0.04687 -0.04409
|
|
146 17F-3 -0.03816 -0.07862 0.02339 -0.02561 -0.00659
|
|
147 18F 0 0.05042 -0.18607 0.06692 -0.05181 -0.17205
|
|
148 18F+1 0.04118 0.04595 0.01009 0.03848 0.04176
|
|
149 18F-1 0.01552 -0.16323 0.16316 -0.04031 -0.01894
|
|
150 18F+2 -0.06405 -0.17269 0.00895 -0.07163 -0.14331
|
|
151 18F-2 0.01599 0.01425 -0.17566 0.01073 -0.00926
|
|
152 18F+3 -0.08623 0.14023 -0.04590 0.37724 0.05103
|
|
153 18F-3 0.07299 -0.19052 0.00512 0.08238 -0.09492
|
|
154 19G 0 0.00094 -0.01103 0.00189 -0.00991 0.00162
|
|
155 19G+1 -0.00295 0.01977 -0.01086 0.01248 -0.00394
|
|
156 19G-1 -0.01498 0.00882 0.00907 0.00746 -0.00281
|
|
157 19G+2 -0.01279 0.00062 0.00633 -0.00652 -0.00525
|
|
158 19G-2 0.00993 -0.00283 -0.02942 0.01379 -0.00145
|
|
159 19G+3 -0.00526 0.01671 -0.00435 0.01133 -0.00406
|
|
160 19G-3 -0.00696 -0.00546 -0.00618 -0.01479 -0.00142
|
|
161 19G+4 0.00964 -0.02194 -0.01802 -0.01009 -0.00450
|
|
162 19G-4 -0.00286 -0.01205 0.02424 -0.00259 0.00791
|
|
163 20G 0 -0.01571 0.05915 0.00501 -0.02191 -0.05068
|
|
164 20G+1 -0.00037 0.00889 0.01391 -0.03479 0.01854
|
|
165 20G-1 -0.00899 -0.09657 -0.00850 -0.01869 -0.10541
|
|
166 20G+2 -0.03483 0.05627 -0.04376 -0.00795 -0.05111
|
|
167 20G-2 -0.05218 0.00350 0.00717 0.02181 -0.00746
|
|
168 20G+3 0.00671 0.03110 -0.01363 -0.01786 -0.01028
|
|
169 20G-3 -0.00744 -0.06639 0.01741 0.01473 -0.03705
|
|
170 20G+4 -0.02002 0.06913 -0.00964 -0.02987 -0.03163
|
|
171 20G-4 -0.04426 0.03864 -0.07199 0.11572 0.01643
|
|
172 21H 0 0.04735 0.01448 0.04094 0.08944 0.07545
|
|
173 21H+1 -0.03701 0.06449 -0.00624 0.06813 -0.04633
|
|
174 21H-1 0.09605 0.10554 -0.01152 0.03249 0.03065
|
|
175 21H+2 0.02138 -0.01827 0.10835 0.02332 0.04024
|
|
176 21H-2 0.09708 -0.11454 -0.07536 -0.02359 -0.05452
|
|
177 21H+3 0.01541 0.01301 -0.06642 0.03164 -0.07450
|
|
178 21H-3 -0.03397 -0.06403 0.12191 -0.08429 -0.02130
|
|
179 21H+4 0.05724 -0.02636 -0.04239 -0.09929 -0.05621
|
|
180 21H-4 -0.06157 -0.09681 0.02455 -0.00820 0.00093
|
|
181 21H+5 -0.01500 0.07257 0.02815 -0.03381 -0.09836
|
|
182 21H-5 -0.07324 0.03746 -0.13831 0.06249 0.01809
|
|
183 3 H 1S -0.05130 -0.03081 -0.03959 0.04832 -0.01404
|
|
184 2S 0.21260 0.09986 0.21117 0.08577 0.07718
|
|
185 3S -0.26805 -0.70702 -0.29367 0.09359 -0.12832
|
|
186 4S -0.02957 -0.24850 -0.16247 0.23163 -0.12699
|
|
187 5S -0.01221 -0.04466 -0.00199 0.00424 -0.01621
|
|
188 6PX -0.00001 -0.00588 -0.00605 -0.00112 -0.00382
|
|
189 6PY 0.00275 -0.00514 0.00083 0.00589 -0.00667
|
|
190 6PZ -0.00356 -0.00284 0.00254 -0.00102 0.00007
|
|
191 7PX -0.04909 -0.01727 -0.05227 -0.02693 -0.02677
|
|
192 7PY 0.02326 0.03775 -0.01178 -0.09181 0.01267
|
|
193 7PZ -0.03770 -0.00906 -0.02186 -0.01407 -0.01866
|
|
194 8PX 0.19275 0.23658 0.20754 0.23966 0.19755
|
|
195 8PY -0.01852 0.14633 0.19399 0.18600 0.02433
|
|
196 8PZ 0.21246 0.11001 0.19945 0.00234 0.02489
|
|
197 9PX 0.08394 0.18453 0.12621 -0.07116 0.12960
|
|
198 9PY -0.04967 0.05496 0.11065 0.09470 0.03930
|
|
199 9PZ 0.09848 0.11760 0.06287 -0.10464 0.04486
|
|
200 10D 0 0.01872 0.04184 0.03087 0.00037 -0.05667
|
|
201 10D+1 -0.03235 -0.04882 0.02713 0.06873 0.04057
|
|
202 10D-1 0.07126 0.05465 -0.17335 -0.00798 0.00572
|
|
203 10D+2 0.02262 0.03379 -0.01461 0.08148 -0.03873
|
|
204 10D-2 0.00626 0.06728 0.08986 -0.13312 -0.00146
|
|
205 11D 0 -0.02519 -0.02725 -0.04741 0.05790 0.05546
|
|
206 11D+1 -0.02745 0.02911 -0.09317 -0.13468 -0.04919
|
|
207 11D-1 -0.08165 -0.09175 0.10260 0.01775 -0.02046
|
|
208 11D+2 -0.04774 -0.04946 -0.01235 -0.12369 -0.03480
|
|
209 11D-2 -0.02997 -0.14276 -0.11933 0.10887 -0.03021
|
|
210 12D 0 -0.05327 -0.01861 -0.00399 0.12616 0.03729
|
|
211 12D+1 -0.13890 -0.01369 -0.12354 -0.06879 -0.06016
|
|
212 12D-1 -0.02004 -0.03598 -0.00027 -0.09388 -0.05049
|
|
213 12D+2 -0.12305 -0.08279 -0.07345 -0.01691 -0.11612
|
|
214 12D-2 0.02799 -0.06935 -0.17660 -0.11606 -0.06779
|
|
215 13F 0 -0.10168 -0.33550 -0.01876 0.20842 -0.01706
|
|
216 13F+1 0.00530 -0.00202 -0.21684 0.06931 0.05436
|
|
217 13F-1 -0.06214 0.20539 0.49051 -0.26490 -0.01669
|
|
218 13F+2 0.08146 0.02089 0.10233 -0.23953 -0.12982
|
|
219 13F-2 -0.14128 -0.28709 0.09629 0.04527 -0.10881
|
|
220 13F+3 -0.15494 -0.24622 -0.09953 0.11203 0.00506
|
|
221 13F-3 0.11680 0.03543 -0.21860 0.06493 0.08291
|
|
222 14F 0 0.03944 0.18997 0.00400 -0.19775 -0.01768
|
|
223 14F+1 0.02574 -0.00258 0.14244 -0.04711 -0.03560
|
|
224 14F-1 0.06342 -0.08170 -0.27853 0.13134 0.01705
|
|
225 14F+2 0.01131 -0.00904 0.02510 0.17117 0.10501
|
|
226 14F-2 0.09500 0.18432 -0.03559 0.01050 0.09356
|
|
227 14F+3 0.12242 0.15160 0.04865 -0.03866 0.04847
|
|
228 14F-3 -0.04471 0.05606 0.19438 -0.02805 0.00358
|
|
229 15G 0 0.14339 -0.01074 0.20203 0.11039 -0.12046
|
|
230 15G+1 -0.03169 0.01508 -0.10721 -0.16897 0.21031
|
|
231 15G-1 -0.28871 0.15260 0.05450 0.19465 -0.21872
|
|
232 15G+2 0.07550 0.05295 0.21198 0.26613 -0.32709
|
|
233 15G-2 0.33027 -0.21969 -0.00688 0.01384 -0.04700
|
|
234 15G+3 0.03901 -0.12509 -0.12215 -0.29420 0.29520
|
|
235 15G-3 -0.33836 0.22544 -0.02474 -0.08755 0.16401
|
|
236 15G+4 -0.04808 0.17182 0.03060 0.12708 -0.17960
|
|
237 15G-4 0.20617 -0.16450 0.04635 0.13875 -0.22084
|
|
238 4 H 1S -0.05130 0.03081 -0.03959 0.04832 0.01404
|
|
239 2S 0.21260 -0.09986 0.21117 0.08577 -0.07718
|
|
240 3S -0.26805 0.70702 -0.29367 0.09359 0.12832
|
|
241 4S -0.02957 0.24850 -0.16247 0.23163 0.12699
|
|
242 5S -0.01221 0.04466 -0.00199 0.00424 0.01621
|
|
243 6PX 0.00001 -0.00588 0.00605 0.00112 -0.00382
|
|
244 6PY -0.00275 -0.00514 -0.00083 -0.00589 -0.00667
|
|
245 6PZ -0.00356 0.00284 0.00254 -0.00102 -0.00007
|
|
246 7PX 0.04909 -0.01727 0.05227 0.02693 -0.02677
|
|
247 7PY -0.02326 0.03775 0.01178 0.09181 0.01267
|
|
248 7PZ -0.03770 0.00906 -0.02186 -0.01407 0.01866
|
|
249 8PX -0.19275 0.23658 -0.20754 -0.23966 0.19755
|
|
250 8PY 0.01852 0.14633 -0.19399 -0.18600 0.02433
|
|
251 8PZ 0.21246 -0.11001 0.19945 0.00234 -0.02489
|
|
252 9PX -0.08394 0.18453 -0.12621 0.07116 0.12960
|
|
253 9PY 0.04967 0.05496 -0.11065 -0.09470 0.03930
|
|
254 9PZ 0.09848 -0.11760 0.06287 -0.10464 -0.04486
|
|
255 10D 0 0.01872 -0.04184 0.03087 0.00037 0.05667
|
|
256 10D+1 0.03235 -0.04882 -0.02713 -0.06873 0.04057
|
|
257 10D-1 -0.07126 0.05465 0.17335 0.00798 0.00572
|
|
258 10D+2 0.02262 -0.03379 -0.01461 0.08148 0.03873
|
|
259 10D-2 0.00626 -0.06728 0.08986 -0.13312 0.00146
|
|
260 11D 0 -0.02519 0.02725 -0.04741 0.05790 -0.05546
|
|
261 11D+1 0.02745 0.02911 0.09317 0.13468 -0.04919
|
|
262 11D-1 0.08165 -0.09175 -0.10260 -0.01775 -0.02046
|
|
263 11D+2 -0.04774 0.04946 -0.01235 -0.12369 0.03480
|
|
264 11D-2 -0.02997 0.14276 -0.11933 0.10887 0.03021
|
|
265 12D 0 -0.05327 0.01861 -0.00399 0.12616 -0.03729
|
|
266 12D+1 0.13890 -0.01369 0.12354 0.06879 -0.06016
|
|
267 12D-1 0.02004 -0.03598 0.00027 0.09388 -0.05049
|
|
268 12D+2 -0.12305 0.08279 -0.07345 -0.01691 0.11612
|
|
269 12D-2 0.02799 0.06935 -0.17660 -0.11606 0.06779
|
|
270 13F 0 -0.10168 0.33550 -0.01876 0.20842 0.01706
|
|
271 13F+1 -0.00530 -0.00202 0.21684 -0.06931 0.05436
|
|
272 13F-1 0.06214 0.20539 -0.49051 0.26490 -0.01669
|
|
273 13F+2 0.08146 -0.02089 0.10233 -0.23953 0.12982
|
|
274 13F-2 -0.14128 0.28709 0.09629 0.04527 0.10881
|
|
275 13F+3 0.15494 -0.24622 0.09953 -0.11203 0.00506
|
|
276 13F-3 -0.11680 0.03543 0.21860 -0.06493 0.08291
|
|
277 14F 0 0.03944 -0.18997 0.00400 -0.19775 0.01768
|
|
278 14F+1 -0.02574 -0.00258 -0.14244 0.04711 -0.03560
|
|
279 14F-1 -0.06342 -0.08170 0.27853 -0.13134 0.01705
|
|
280 14F+2 0.01131 0.00904 0.02510 0.17117 -0.10501
|
|
281 14F-2 0.09500 -0.18432 -0.03559 0.01050 -0.09356
|
|
282 14F+3 -0.12242 0.15160 -0.04865 0.03866 0.04847
|
|
283 14F-3 0.04471 0.05606 -0.19438 0.02805 0.00358
|
|
284 15G 0 0.14339 0.01074 0.20203 0.11039 0.12046
|
|
285 15G+1 0.03169 0.01508 0.10721 0.16897 0.21031
|
|
286 15G-1 0.28871 0.15260 -0.05450 -0.19465 -0.21872
|
|
287 15G+2 0.07550 -0.05295 0.21198 0.26613 0.32709
|
|
288 15G-2 0.33027 0.21969 -0.00688 0.01384 0.04700
|
|
289 15G+3 -0.03901 -0.12509 0.12215 0.29420 0.29520
|
|
290 15G-3 0.33836 0.22544 0.02474 0.08755 0.16401
|
|
291 15G+4 -0.04808 -0.17182 0.03060 0.12708 0.17960
|
|
292 15G-4 0.20617 0.16450 0.04635 0.13875 0.22084
|
|
181 182 183 184 185
|
|
V V V V V
|
|
Eigenvalues -- 12.67931 12.69855 12.83419 12.85948 12.90902
|
|
1 1 O 1S 0.00906 -0.00283 0.01160 0.00281 0.00794
|
|
2 2S -0.21252 -0.02529 -0.04766 0.03964 -0.00694
|
|
3 3S -0.88956 -0.15254 -0.16833 0.17515 0.01249
|
|
4 4S 1.40612 0.52720 0.32112 -0.18008 -0.03014
|
|
5 5S 0.63569 -0.66716 -0.40937 -0.49348 -0.63880
|
|
6 6S 0.06761 -0.75628 -0.49188 -0.38350 -0.08296
|
|
7 7PX 0.07987 0.03368 -0.08516 -0.09086 -0.07932
|
|
8 7PY 0.01087 -0.01184 -0.00790 -0.01711 0.00341
|
|
9 7PZ 0.05767 0.00110 -0.05908 -0.04581 -0.05313
|
|
10 8PX -0.07791 -0.03425 0.13345 0.08976 0.12786
|
|
11 8PY 0.10912 -0.01347 0.02983 -0.02615 0.03182
|
|
12 8PZ -0.06968 -0.00725 0.07707 0.08162 0.06927
|
|
13 9PX 0.51079 0.03991 -0.13409 -0.09834 -0.32792
|
|
14 9PY -0.40460 -0.10191 -0.07254 0.15763 -0.12505
|
|
15 9PZ 0.39663 0.08313 -0.05793 -0.14811 -0.22941
|
|
16 10PX -0.21332 0.36231 -0.67653 -0.44926 -0.45979
|
|
17 10PY 0.16436 1.26602 -0.54806 -0.14590 -0.47639
|
|
18 10PZ -0.00587 0.03911 -0.48678 -0.31187 -0.28056
|
|
19 11PX 0.07241 0.08002 -0.12930 -0.12399 -0.07227
|
|
20 11PY 0.10452 0.22096 -0.08604 -0.05686 -0.09783
|
|
21 11PZ 0.03133 0.00623 -0.07717 -0.04881 -0.05410
|
|
22 12D 0 -0.01046 -0.00092 0.00168 -0.00308 0.00537
|
|
23 12D+1 -0.00424 -0.00205 0.00337 0.00105 0.00658
|
|
24 12D-1 -0.00719 -0.00119 0.00357 0.01120 0.00296
|
|
25 12D+2 -0.02192 -0.00117 0.00068 0.01132 -0.00158
|
|
26 12D-2 -0.00492 0.00016 0.01033 0.00275 0.00598
|
|
27 13D 0 -0.05331 -0.06094 0.03076 0.04305 0.00011
|
|
28 13D+1 0.14029 0.04182 -0.08734 -0.09390 -0.07879
|
|
29 13D-1 0.05303 0.02854 -0.02878 -0.03803 0.00003
|
|
30 13D+2 0.05380 -0.08347 -0.02344 -0.05970 -0.00540
|
|
31 13D-2 0.10248 0.05751 -0.04499 -0.05636 -0.01163
|
|
32 14D 0 0.03900 0.20217 -0.07813 -0.03144 -0.04300
|
|
33 14D+1 -0.05287 -0.02337 0.03003 0.06928 -0.06427
|
|
34 14D-1 -0.08668 -0.10453 0.00139 0.06106 -0.05199
|
|
35 14D+2 -0.06879 0.27695 -0.05515 0.08248 -0.14383
|
|
36 14D-2 -0.15005 -0.21820 0.06062 0.04773 -0.03859
|
|
37 15D 0 0.28970 0.22862 -0.01310 -0.15206 -0.08102
|
|
38 15D+1 -0.09783 0.12607 -0.24888 -0.23235 -0.09263
|
|
39 15D-1 -0.01503 0.19867 0.04249 -0.09456 0.09139
|
|
40 15D+2 0.23713 0.72537 -0.48207 -0.19174 -0.31634
|
|
41 15D-2 -0.06335 -0.04832 -0.05972 0.25554 0.00716
|
|
42 16F 0 0.00475 0.00026 -0.01984 -0.00464 -0.01469
|
|
43 16F+1 -0.01114 -0.00241 0.01048 0.01457 0.00275
|
|
44 16F-1 -0.00676 -0.00564 0.00880 0.01075 -0.00534
|
|
45 16F+2 -0.01678 -0.01005 0.02512 0.03171 0.01676
|
|
46 16F-2 -0.00858 -0.00100 0.00804 0.00684 0.00639
|
|
47 16F+3 -0.02621 -0.00991 0.02288 0.00592 0.01572
|
|
48 16F-3 -0.00937 -0.00879 0.00577 -0.00116 0.01552
|
|
49 17F 0 -0.09119 -0.04463 0.00578 0.04855 0.02784
|
|
50 17F+1 0.01338 -0.01073 -0.00840 -0.01827 -0.00530
|
|
51 17F-1 0.04571 -0.07576 0.03411 0.01240 -0.00107
|
|
52 17F+2 0.03976 0.00167 -0.04123 0.01028 -0.07220
|
|
53 17F-2 -0.00700 -0.02042 -0.00780 -0.02120 -0.01893
|
|
54 17F+3 -0.03170 -0.05173 0.03473 -0.03993 -0.00815
|
|
55 17F-3 0.06242 -0.01630 -0.03509 -0.05007 -0.00614
|
|
56 18F 0 0.24143 0.13294 0.06371 -0.10495 -0.06727
|
|
57 18F+1 0.01874 0.03469 -0.01874 -0.03144 0.05471
|
|
58 18F-1 -0.09483 0.03997 0.03796 0.01373 0.09403
|
|
59 18F+2 -0.11317 0.11319 0.03587 -0.06541 -0.00618
|
|
60 18F-2 -0.18484 -0.06031 -0.02700 0.02916 0.00362
|
|
61 18F+3 0.07314 0.16489 -0.14127 0.12572 -0.00588
|
|
62 18F-3 -0.24450 -0.33480 0.16743 0.18350 0.12925
|
|
63 19G 0 0.01541 0.01379 -0.00155 -0.01166 0.00549
|
|
64 19G+1 0.02227 0.02285 -0.01095 0.01531 -0.02806
|
|
65 19G-1 0.00781 0.01064 -0.01041 0.01096 -0.00464
|
|
66 19G+2 -0.02807 0.00522 0.00792 0.02942 -0.01051
|
|
67 19G-2 0.01576 0.00571 -0.00888 -0.00278 -0.01306
|
|
68 19G+3 -0.00952 0.00192 0.00787 0.01219 0.00535
|
|
69 19G-3 0.01275 -0.00255 -0.00869 0.00053 -0.00136
|
|
70 19G+4 0.00255 0.00960 0.00700 0.00098 0.01030
|
|
71 19G-4 0.02017 -0.00019 0.00795 -0.01332 0.00466
|
|
72 20G 0 -0.03381 0.02451 0.04820 -0.03760 -0.08738
|
|
73 20G+1 0.00820 -0.01012 -0.02596 -0.04440 0.02604
|
|
74 20G-1 0.00359 0.02456 0.06263 0.02387 0.04376
|
|
75 20G+2 -0.04937 -0.00101 0.03393 -0.02872 0.01085
|
|
76 20G-2 -0.03988 -0.01947 0.03157 0.01437 -0.00677
|
|
77 20G+3 -0.06648 0.02636 -0.00154 -0.02133 -0.04055
|
|
78 20G-3 -0.11380 -0.03008 0.01701 0.00745 -0.01082
|
|
79 20G+4 -0.06982 -0.11558 -0.04127 0.02225 0.08240
|
|
80 20G-4 -0.00806 -0.07457 0.02786 0.05792 0.06380
|
|
81 21H 0 0.02981 -0.06430 -0.03392 0.01398 0.13001
|
|
82 21H+1 0.15690 0.05401 -0.02942 0.02108 0.04413
|
|
83 21H-1 0.05103 -0.03611 -0.02042 0.01396 -0.02199
|
|
84 21H+2 0.04586 0.04201 0.01168 0.12160 -0.09686
|
|
85 21H-2 0.03236 0.05996 -0.14285 -0.05733 -0.06316
|
|
86 21H+3 -0.06993 -0.05213 0.00646 0.09459 0.08166
|
|
87 21H-3 0.08884 -0.00777 -0.01984 0.01410 0.04472
|
|
88 21H+4 0.03825 0.02673 0.02526 0.06235 0.01373
|
|
89 21H-4 0.05716 -0.00954 -0.06600 -0.01220 -0.01592
|
|
90 21H+5 0.06450 0.09522 0.09932 -0.03078 -0.01050
|
|
91 21H-5 0.02776 0.07184 -0.00336 -0.09773 -0.05633
|
|
92 2 O 1S 0.00906 0.00283 -0.01160 0.00281 -0.00794
|
|
93 2S -0.21252 0.02529 0.04766 0.03964 0.00694
|
|
94 3S -0.88956 0.15254 0.16833 0.17515 -0.01249
|
|
95 4S 1.40612 -0.52720 -0.32112 -0.18008 0.03014
|
|
96 5S 0.63569 0.66716 0.40937 -0.49348 0.63880
|
|
97 6S 0.06761 0.75628 0.49188 -0.38350 0.08296
|
|
98 7PX -0.07987 0.03368 -0.08516 0.09086 -0.07932
|
|
99 7PY -0.01087 -0.01184 -0.00790 0.01711 0.00341
|
|
100 7PZ 0.05767 -0.00110 0.05908 -0.04581 0.05313
|
|
101 8PX 0.07791 -0.03425 0.13345 -0.08976 0.12786
|
|
102 8PY -0.10912 -0.01347 0.02983 0.02615 0.03182
|
|
103 8PZ -0.06968 0.00725 -0.07707 0.08162 -0.06927
|
|
104 9PX -0.51079 0.03991 -0.13409 0.09834 -0.32792
|
|
105 9PY 0.40460 -0.10191 -0.07254 -0.15763 -0.12505
|
|
106 9PZ 0.39663 -0.08313 0.05793 -0.14811 0.22941
|
|
107 10PX 0.21332 0.36231 -0.67653 0.44926 -0.45979
|
|
108 10PY -0.16436 1.26602 -0.54806 0.14590 -0.47639
|
|
109 10PZ -0.00587 -0.03911 0.48678 -0.31187 0.28056
|
|
110 11PX -0.07241 0.08002 -0.12930 0.12399 -0.07227
|
|
111 11PY -0.10452 0.22096 -0.08604 0.05686 -0.09783
|
|
112 11PZ 0.03133 -0.00623 0.07717 -0.04881 0.05410
|
|
113 12D 0 -0.01046 0.00092 -0.00168 -0.00308 -0.00537
|
|
114 12D+1 0.00424 -0.00205 0.00337 -0.00105 0.00658
|
|
115 12D-1 0.00719 -0.00119 0.00357 -0.01120 0.00296
|
|
116 12D+2 -0.02192 0.00117 -0.00068 0.01132 0.00158
|
|
117 12D-2 -0.00492 -0.00016 -0.01033 0.00275 -0.00598
|
|
118 13D 0 -0.05331 0.06094 -0.03076 0.04305 -0.00011
|
|
119 13D+1 -0.14029 0.04182 -0.08734 0.09390 -0.07879
|
|
120 13D-1 -0.05303 0.02854 -0.02878 0.03803 0.00003
|
|
121 13D+2 0.05380 0.08347 0.02344 -0.05970 0.00540
|
|
122 13D-2 0.10248 -0.05751 0.04499 -0.05636 0.01163
|
|
123 14D 0 0.03900 -0.20217 0.07813 -0.03144 0.04300
|
|
124 14D+1 0.05287 -0.02337 0.03003 -0.06928 -0.06427
|
|
125 14D-1 0.08668 -0.10453 0.00139 -0.06106 -0.05199
|
|
126 14D+2 -0.06879 -0.27695 0.05515 0.08248 0.14383
|
|
127 14D-2 -0.15005 0.21820 -0.06062 0.04773 0.03859
|
|
128 15D 0 0.28970 -0.22862 0.01310 -0.15206 0.08102
|
|
129 15D+1 0.09783 0.12607 -0.24888 0.23235 -0.09263
|
|
130 15D-1 0.01503 0.19867 0.04249 0.09456 0.09139
|
|
131 15D+2 0.23713 -0.72537 0.48207 -0.19174 0.31634
|
|
132 15D-2 -0.06335 0.04832 0.05972 0.25554 -0.00716
|
|
133 16F 0 0.00475 -0.00026 0.01984 -0.00464 0.01469
|
|
134 16F+1 0.01114 -0.00241 0.01048 -0.01457 0.00275
|
|
135 16F-1 0.00676 -0.00564 0.00880 -0.01075 -0.00534
|
|
136 16F+2 -0.01678 0.01005 -0.02512 0.03171 -0.01676
|
|
137 16F-2 -0.00858 0.00100 -0.00804 0.00684 -0.00639
|
|
138 16F+3 0.02621 -0.00991 0.02288 -0.00592 0.01572
|
|
139 16F-3 0.00937 -0.00879 0.00577 0.00116 0.01552
|
|
140 17F 0 -0.09119 0.04463 -0.00578 0.04855 -0.02784
|
|
141 17F+1 -0.01338 -0.01073 -0.00840 0.01827 -0.00530
|
|
142 17F-1 -0.04571 -0.07576 0.03411 -0.01240 -0.00107
|
|
143 17F+2 0.03976 -0.00167 0.04123 0.01028 0.07220
|
|
144 17F-2 -0.00700 0.02042 0.00780 -0.02120 0.01893
|
|
145 17F+3 0.03170 -0.05173 0.03473 0.03993 -0.00815
|
|
146 17F-3 -0.06242 -0.01630 -0.03509 0.05007 -0.00614
|
|
147 18F 0 0.24143 -0.13294 -0.06371 -0.10495 0.06727
|
|
148 18F+1 -0.01874 0.03469 -0.01874 0.03144 0.05471
|
|
149 18F-1 0.09483 0.03997 0.03796 -0.01373 0.09403
|
|
150 18F+2 -0.11317 -0.11319 -0.03587 -0.06541 0.00618
|
|
151 18F-2 -0.18484 0.06031 0.02700 0.02916 -0.00362
|
|
152 18F+3 -0.07314 0.16489 -0.14127 -0.12572 -0.00588
|
|
153 18F-3 0.24450 -0.33480 0.16743 -0.18350 0.12925
|
|
154 19G 0 0.01541 -0.01379 0.00155 -0.01166 -0.00549
|
|
155 19G+1 -0.02227 0.02285 -0.01095 -0.01531 -0.02806
|
|
156 19G-1 -0.00781 0.01064 -0.01041 -0.01096 -0.00464
|
|
157 19G+2 -0.02807 -0.00522 -0.00792 0.02942 0.01051
|
|
158 19G-2 0.01576 -0.00571 0.00888 -0.00278 0.01306
|
|
159 19G+3 0.00952 0.00192 0.00787 -0.01219 0.00535
|
|
160 19G-3 -0.01275 -0.00255 -0.00869 -0.00053 -0.00136
|
|
161 19G+4 0.00255 -0.00960 -0.00700 0.00098 -0.01030
|
|
162 19G-4 0.02017 0.00019 -0.00795 -0.01332 -0.00466
|
|
163 20G 0 -0.03381 -0.02451 -0.04820 -0.03760 0.08738
|
|
164 20G+1 -0.00820 -0.01012 -0.02596 0.04440 0.02604
|
|
165 20G-1 -0.00359 0.02456 0.06263 -0.02387 0.04376
|
|
166 20G+2 -0.04937 0.00101 -0.03393 -0.02872 -0.01085
|
|
167 20G-2 -0.03988 0.01947 -0.03157 0.01437 0.00677
|
|
168 20G+3 0.06648 0.02636 -0.00154 0.02133 -0.04055
|
|
169 20G-3 0.11380 -0.03008 0.01701 -0.00745 -0.01082
|
|
170 20G+4 -0.06982 0.11558 0.04127 0.02225 -0.08240
|
|
171 20G-4 -0.00806 0.07457 -0.02786 0.05792 -0.06380
|
|
172 21H 0 0.02981 0.06430 0.03392 0.01398 -0.13001
|
|
173 21H+1 -0.15690 0.05401 -0.02942 -0.02108 0.04413
|
|
174 21H-1 -0.05103 -0.03611 -0.02042 -0.01396 -0.02199
|
|
175 21H+2 0.04586 -0.04201 -0.01168 0.12160 0.09686
|
|
176 21H-2 0.03236 -0.05996 0.14285 -0.05733 0.06316
|
|
177 21H+3 0.06993 -0.05213 0.00646 -0.09459 0.08166
|
|
178 21H-3 -0.08884 -0.00777 -0.01984 -0.01410 0.04472
|
|
179 21H+4 0.03825 -0.02673 -0.02526 0.06235 -0.01373
|
|
180 21H-4 0.05716 0.00954 0.06600 -0.01220 0.01592
|
|
181 21H+5 -0.06450 0.09522 0.09932 0.03078 -0.01050
|
|
182 21H-5 -0.02776 0.07184 -0.00336 0.09773 -0.05633
|
|
183 3 H 1S -0.15173 -0.03098 0.13033 0.12329 0.11381
|
|
184 2S 0.72343 0.15349 -0.28319 -0.35670 -0.39215
|
|
185 3S -0.80220 -0.58225 1.20329 0.84761 1.22802
|
|
186 4S -0.35392 -0.32809 0.54091 0.26122 0.37798
|
|
187 5S -0.02412 -0.04108 0.04698 0.02782 0.05322
|
|
188 6PX 0.02849 0.01306 -0.00408 -0.01980 0.00773
|
|
189 6PY 0.03181 0.00341 -0.02555 -0.02416 -0.00308
|
|
190 6PZ 0.02009 0.01641 -0.00248 0.01255 -0.02272
|
|
191 7PX -0.23018 -0.04708 0.01283 0.09150 0.03372
|
|
192 7PY -0.05802 -0.00670 0.03065 0.04040 0.03348
|
|
193 7PZ -0.13381 -0.06324 0.03390 0.00404 0.07432
|
|
194 8PX 0.63356 0.10688 -0.22948 -0.33813 -0.45682
|
|
195 8PY 0.35676 0.32340 -0.18076 -0.20300 -0.20963
|
|
196 8PZ 0.28957 0.07035 -0.22988 -0.01558 -0.37855
|
|
197 9PX 0.35137 0.13975 -0.24336 -0.19701 -0.24560
|
|
198 9PY 0.05319 0.12193 -0.05295 0.00749 -0.07701
|
|
199 9PZ 0.17984 0.12747 -0.21871 -0.06316 -0.21067
|
|
200 10D 0 0.12055 -0.00227 -0.00299 -0.19659 0.09386
|
|
201 10D+1 -0.12193 -0.09529 0.11277 0.00308 0.19602
|
|
202 10D-1 -0.00255 -0.02757 0.08043 -0.03537 0.05248
|
|
203 10D+2 0.07848 0.03822 -0.04846 0.05811 -0.12589
|
|
204 10D-2 -0.11345 0.03598 0.11687 0.21716 0.03119
|
|
205 11D 0 -0.06642 0.03048 -0.01729 0.13782 -0.10510
|
|
206 11D+1 -0.00070 0.10316 -0.07321 0.03334 -0.07451
|
|
207 11D-1 -0.05536 -0.06039 -0.04332 0.03699 -0.02747
|
|
208 11D+2 -0.12688 -0.02011 0.04758 -0.03353 0.15541
|
|
209 11D-2 -0.01434 -0.10972 -0.07843 -0.13944 0.00963
|
|
210 12D 0 0.01534 -0.02375 0.05316 -0.09850 0.07114
|
|
211 12D+1 -0.25932 0.02340 0.03380 0.00228 0.17665
|
|
212 12D-1 -0.13375 -0.15727 0.07572 0.06196 0.07070
|
|
213 12D+2 -0.33839 -0.01133 0.01343 0.14126 0.06279
|
|
214 12D-2 -0.22630 -0.10727 0.03904 0.06863 0.08807
|
|
215 13F 0 -0.48404 -0.41050 0.24399 -0.14636 -0.07619
|
|
216 13F+1 0.06801 0.16328 -0.26149 0.13549 0.04550
|
|
217 13F-1 -0.06543 0.02198 0.37141 0.30797 0.06513
|
|
218 13F+2 0.09599 -0.08776 0.07249 -0.40355 -0.38886
|
|
219 13F-2 -0.11385 -0.23268 -0.25204 -0.28296 -0.27826
|
|
220 13F+3 -0.30926 -0.09908 -0.24092 0.08875 0.16265
|
|
221 13F-3 0.08840 0.07745 -0.01824 0.03950 0.19484
|
|
222 14F 0 0.21715 0.22432 -0.14592 0.09077 0.06217
|
|
223 14F+1 -0.00701 -0.10680 0.15251 -0.07527 -0.03298
|
|
224 14F-1 0.06913 0.03582 -0.22036 -0.19269 -0.03907
|
|
225 14F+2 0.05845 0.00446 -0.02858 0.20217 0.18715
|
|
226 14F-2 0.14235 0.19101 0.13314 0.13818 0.14236
|
|
227 14F+3 0.26408 0.06553 0.11606 -0.07855 -0.11747
|
|
228 14F-3 0.05974 0.00690 0.02147 -0.02519 -0.13274
|
|
229 15G 0 -0.05386 0.17834 0.07476 -0.22513 -0.29273
|
|
230 15G+1 -0.01137 -0.02712 -0.05190 0.00865 0.01338
|
|
231 15G-1 0.21974 -0.18729 0.21062 0.06660 0.04797
|
|
232 15G+2 0.02289 0.07042 -0.04045 -0.09414 -0.12190
|
|
233 15G-2 -0.12766 0.26161 0.03376 -0.00753 -0.05162
|
|
234 15G+3 -0.12397 0.10303 0.16799 -0.04309 -0.09840
|
|
235 15G-3 0.04401 -0.27456 -0.06447 -0.14194 -0.13427
|
|
236 15G+4 0.07745 -0.11418 -0.24663 0.00477 0.08185
|
|
237 15G-4 0.01710 0.10901 0.04036 0.17931 0.22779
|
|
238 4 H 1S -0.15173 0.03098 -0.13033 0.12329 -0.11381
|
|
239 2S 0.72343 -0.15349 0.28319 -0.35670 0.39215
|
|
240 3S -0.80220 0.58225 -1.20329 0.84761 -1.22802
|
|
241 4S -0.35392 0.32809 -0.54091 0.26122 -0.37798
|
|
242 5S -0.02412 0.04108 -0.04698 0.02782 -0.05322
|
|
243 6PX -0.02849 0.01306 -0.00408 0.01980 0.00773
|
|
244 6PY -0.03181 0.00341 -0.02555 0.02416 -0.00308
|
|
245 6PZ 0.02009 -0.01641 0.00248 0.01255 0.02272
|
|
246 7PX 0.23018 -0.04708 0.01283 -0.09150 0.03372
|
|
247 7PY 0.05802 -0.00670 0.03065 -0.04040 0.03348
|
|
248 7PZ -0.13381 0.06324 -0.03390 0.00404 -0.07432
|
|
249 8PX -0.63356 0.10688 -0.22948 0.33813 -0.45682
|
|
250 8PY -0.35676 0.32340 -0.18076 0.20300 -0.20963
|
|
251 8PZ 0.28957 -0.07035 0.22988 -0.01558 0.37855
|
|
252 9PX -0.35137 0.13975 -0.24336 0.19701 -0.24560
|
|
253 9PY -0.05319 0.12193 -0.05295 -0.00749 -0.07701
|
|
254 9PZ 0.17984 -0.12747 0.21871 -0.06316 0.21067
|
|
255 10D 0 0.12055 0.00227 0.00299 -0.19659 -0.09386
|
|
256 10D+1 0.12193 -0.09529 0.11277 -0.00308 0.19602
|
|
257 10D-1 0.00255 -0.02757 0.08043 0.03537 0.05248
|
|
258 10D+2 0.07848 -0.03822 0.04846 0.05811 0.12589
|
|
259 10D-2 -0.11345 -0.03598 -0.11687 0.21716 -0.03119
|
|
260 11D 0 -0.06642 -0.03048 0.01729 0.13782 0.10510
|
|
261 11D+1 0.00070 0.10316 -0.07321 -0.03334 -0.07451
|
|
262 11D-1 0.05536 -0.06039 -0.04332 -0.03699 -0.02747
|
|
263 11D+2 -0.12688 0.02011 -0.04758 -0.03353 -0.15541
|
|
264 11D-2 -0.01434 0.10972 0.07843 -0.13944 -0.00963
|
|
265 12D 0 0.01534 0.02375 -0.05316 -0.09850 -0.07114
|
|
266 12D+1 0.25932 0.02340 0.03380 -0.00228 0.17665
|
|
267 12D-1 0.13375 -0.15727 0.07572 -0.06196 0.07070
|
|
268 12D+2 -0.33839 0.01133 -0.01343 0.14126 -0.06279
|
|
269 12D-2 -0.22630 0.10727 -0.03904 0.06863 -0.08807
|
|
270 13F 0 -0.48404 0.41050 -0.24399 -0.14636 0.07619
|
|
271 13F+1 -0.06801 0.16328 -0.26149 -0.13549 0.04550
|
|
272 13F-1 0.06543 0.02198 0.37141 -0.30797 0.06513
|
|
273 13F+2 0.09599 0.08776 -0.07249 -0.40355 0.38886
|
|
274 13F-2 -0.11385 0.23268 0.25204 -0.28296 0.27826
|
|
275 13F+3 0.30926 -0.09908 -0.24092 -0.08875 0.16265
|
|
276 13F-3 -0.08840 0.07745 -0.01824 -0.03950 0.19484
|
|
277 14F 0 0.21715 -0.22432 0.14592 0.09077 -0.06217
|
|
278 14F+1 0.00701 -0.10680 0.15251 0.07527 -0.03298
|
|
279 14F-1 -0.06913 0.03582 -0.22036 0.19269 -0.03907
|
|
280 14F+2 0.05845 -0.00446 0.02858 0.20217 -0.18715
|
|
281 14F-2 0.14235 -0.19101 -0.13314 0.13818 -0.14236
|
|
282 14F+3 -0.26408 0.06553 0.11606 0.07855 -0.11747
|
|
283 14F-3 -0.05974 0.00690 0.02147 0.02519 -0.13274
|
|
284 15G 0 -0.05386 -0.17834 -0.07476 -0.22513 0.29273
|
|
285 15G+1 0.01137 -0.02712 -0.05190 -0.00865 0.01338
|
|
286 15G-1 -0.21974 -0.18729 0.21062 -0.06660 0.04797
|
|
287 15G+2 0.02289 -0.07042 0.04045 -0.09414 0.12190
|
|
288 15G-2 -0.12766 -0.26161 -0.03376 -0.00753 0.05162
|
|
289 15G+3 0.12397 0.10303 0.16799 0.04309 -0.09840
|
|
290 15G-3 -0.04401 -0.27456 -0.06447 0.14194 -0.13427
|
|
291 15G+4 0.07745 0.11418 0.24663 0.00477 -0.08185
|
|
292 15G-4 0.01710 -0.10901 -0.04036 0.17931 -0.22779
|
|
186 187 188 189 190
|
|
V V V V V
|
|
Eigenvalues -- 13.00515 13.05346 13.05618 13.07758 13.13202
|
|
1 1 O 1S 0.00132 0.00567 0.00490 -0.00058 0.00177
|
|
2 2S 0.09393 0.06227 0.00388 0.03434 -0.01057
|
|
3 3S 0.42045 0.29773 0.03194 0.16901 -0.03723
|
|
4 4S -0.56781 -0.39288 -0.00249 -0.41343 -0.02862
|
|
5 5S -0.93832 -0.97550 -0.42159 0.04759 0.46199
|
|
6 6S -0.44433 -0.33586 -0.49891 0.14727 0.08429
|
|
7 7PX -0.12969 -0.12579 -0.08606 0.00624 -0.03392
|
|
8 7PY -0.01136 -0.01718 -0.00650 -0.00077 0.06398
|
|
9 7PZ -0.09144 -0.11892 -0.00447 -0.03037 -0.00947
|
|
10 8PX 0.16173 0.18684 0.11959 0.00805 0.04897
|
|
11 8PY -0.02878 0.02689 0.02457 0.01860 -0.01379
|
|
12 8PZ 0.10808 0.16063 0.03453 0.03248 0.01612
|
|
13 9PX -0.45711 -0.56142 -0.06678 -0.34887 -0.09580
|
|
14 9PY 0.13915 -0.18566 -0.10393 0.08573 -0.48330
|
|
15 9PZ -0.30271 -0.23351 -0.35916 0.02974 0.01558
|
|
16 10PX -0.56861 -0.64381 -0.35262 -0.05068 0.66503
|
|
17 10PY -0.10608 -0.86039 -0.02965 -0.27915 0.29963
|
|
18 10PZ -0.21217 -0.30308 -0.12768 -0.18215 0.26028
|
|
19 11PX -0.06518 -0.16428 -0.09401 -0.02837 0.00733
|
|
20 11PY 0.00140 -0.15635 0.00427 -0.04779 0.04998
|
|
21 11PZ -0.06727 -0.11892 -0.03684 0.00019 0.01203
|
|
22 12D 0 0.00523 -0.02020 0.02545 -0.01837 -0.00382
|
|
23 12D+1 0.00914 -0.00170 0.01402 -0.00664 -0.00279
|
|
24 12D-1 -0.00100 0.01128 0.00697 -0.01575 0.02099
|
|
25 12D+2 0.01356 0.00798 -0.01545 0.01785 -0.01083
|
|
26 12D-2 0.00257 0.02380 -0.00341 -0.01590 0.02894
|
|
27 13D 0 0.01262 0.00936 -0.00021 0.01697 -0.01026
|
|
28 13D+1 -0.11165 -0.12709 -0.06969 -0.02325 0.00634
|
|
29 13D-1 -0.01575 -0.01839 -0.01647 -0.03727 -0.02655
|
|
30 13D+2 -0.05583 -0.06804 -0.04529 0.01344 -0.00482
|
|
31 13D-2 -0.03991 -0.04929 -0.04948 -0.00075 0.06263
|
|
32 14D 0 0.05446 0.14996 -0.21014 0.08146 0.01817
|
|
33 14D+1 -0.05878 0.04039 -0.09692 0.00162 0.01627
|
|
34 14D-1 -0.01632 -0.09218 -0.04196 0.19922 -0.09334
|
|
35 14D+2 -0.04307 -0.10870 0.11493 -0.27519 0.00477
|
|
36 14D-2 -0.00530 -0.19475 0.07332 0.12967 -0.32758
|
|
37 15D 0 -0.10661 -0.17977 0.08404 -0.06175 0.12792
|
|
38 15D+1 -0.10159 -0.16302 -0.00913 0.02102 0.25779
|
|
39 15D-1 0.13510 -0.08137 -0.02125 0.15544 0.07201
|
|
40 15D+2 -0.15743 -0.31960 -0.01302 -0.16577 0.19608
|
|
41 15D-2 0.27777 -0.00342 0.09916 0.07124 -0.23609
|
|
42 16F 0 -0.01809 -0.01899 -0.01258 -0.00013 0.00569
|
|
43 16F+1 0.00155 0.02115 0.00167 0.00355 -0.00627
|
|
44 16F-1 -0.00673 0.00292 -0.00181 -0.00180 -0.00325
|
|
45 16F+2 0.02065 0.02830 0.01709 0.00443 0.01175
|
|
46 16F-2 0.00961 0.01334 0.00778 0.00559 0.00935
|
|
47 16F+3 0.00821 0.02490 0.00997 -0.00972 -0.01377
|
|
48 16F-3 0.01604 0.02049 0.00859 -0.00281 -0.00061
|
|
49 17F 0 0.05614 0.04380 0.02175 -0.00636 0.01768
|
|
50 17F+1 -0.03371 -0.04296 0.01840 -0.03708 -0.01717
|
|
51 17F-1 -0.07820 -0.01415 0.02079 0.01453 0.01442
|
|
52 17F+2 -0.07895 -0.09145 -0.03828 -0.02612 -0.00204
|
|
53 17F-2 -0.05938 -0.04281 0.00152 0.00500 0.03588
|
|
54 17F+3 -0.08501 -0.03514 -0.04489 -0.01533 -0.02794
|
|
55 17F-3 -0.01987 -0.00826 -0.02620 -0.01643 0.01435
|
|
56 18F 0 -0.04460 -0.07385 -0.03165 0.06285 -0.00920
|
|
57 18F+1 0.05347 0.07482 -0.02261 0.06948 0.00504
|
|
58 18F-1 0.20842 0.03686 -0.04518 0.06107 -0.06398
|
|
59 18F+2 0.10321 0.05604 0.02986 0.09848 0.06032
|
|
60 18F-2 0.15765 0.03072 -0.02910 0.05432 -0.11562
|
|
61 18F+3 0.11316 0.05178 0.17749 -0.02914 -0.21286
|
|
62 18F-3 0.11240 -0.02248 0.03918 0.23650 -0.10939
|
|
63 19G 0 -0.00109 -0.02813 0.03078 -0.02393 0.00244
|
|
64 19G+1 -0.01126 0.04131 -0.06134 0.04072 0.00819
|
|
65 19G-1 0.00125 0.01687 -0.01341 -0.00250 0.02624
|
|
66 19G+2 0.00064 0.04547 -0.04976 0.02953 0.01550
|
|
67 19G-2 0.01101 0.00607 -0.03453 0.02919 -0.02170
|
|
68 19G+3 0.00127 0.02953 0.01731 -0.03522 0.04120
|
|
69 19G-3 0.00045 -0.03375 -0.00020 0.03428 -0.04344
|
|
70 19G+4 0.00961 0.00881 0.02728 -0.03627 0.04392
|
|
71 19G-4 -0.01030 -0.02529 0.01885 0.00136 -0.02235
|
|
72 20G 0 0.02673 -0.00949 -0.06307 -0.00097 -0.00705
|
|
73 20G+1 0.00279 -0.03652 0.05039 -0.04327 -0.01538
|
|
74 20G-1 0.05948 -0.01667 0.00298 -0.00580 -0.02037
|
|
75 20G+2 0.04656 -0.03833 0.03845 -0.02141 -0.03312
|
|
76 20G-2 0.00928 -0.01247 0.01963 -0.02283 0.05385
|
|
77 20G+3 0.07352 -0.00425 -0.02041 0.04578 -0.06228
|
|
78 20G-3 0.01167 0.05050 0.01061 -0.05586 0.01904
|
|
79 20G+4 -0.03457 0.01719 0.00607 0.09545 -0.09952
|
|
80 20G-4 0.04768 0.00880 -0.03726 0.06031 0.13051
|
|
81 21H 0 -0.01212 -0.11201 0.19198 -0.08709 -0.00527
|
|
82 21H+1 -0.04764 -0.00138 0.03834 -0.00664 -0.01053
|
|
83 21H-1 -0.09563 0.01334 0.00380 -0.08490 0.00620
|
|
84 21H+2 -0.01680 0.09113 -0.20461 0.17204 0.08921
|
|
85 21H-2 -0.02232 0.11578 -0.08112 0.02866 0.03527
|
|
86 21H+3 -0.08692 0.19332 -0.04190 -0.00805 -0.00847
|
|
87 21H-3 0.04843 -0.00696 -0.10592 0.14841 -0.12776
|
|
88 21H+4 -0.01024 0.04608 0.06221 -0.12884 0.28692
|
|
89 21H-4 0.00126 -0.11503 0.03115 0.10055 -0.10810
|
|
90 21H+5 0.07277 0.06154 0.03304 -0.16676 0.07477
|
|
91 21H-5 -0.05142 -0.05930 0.06870 -0.03187 -0.10634
|
|
92 2 O 1S 0.00132 -0.00567 0.00490 0.00058 0.00177
|
|
93 2S 0.09393 -0.06227 0.00388 -0.03434 -0.01057
|
|
94 3S 0.42045 -0.29773 0.03194 -0.16901 -0.03723
|
|
95 4S -0.56781 0.39288 -0.00249 0.41343 -0.02862
|
|
96 5S -0.93832 0.97550 -0.42159 -0.04759 0.46199
|
|
97 6S -0.44433 0.33586 -0.49891 -0.14727 0.08429
|
|
98 7PX 0.12969 -0.12579 0.08606 0.00624 0.03392
|
|
99 7PY 0.01136 -0.01718 0.00650 -0.00077 -0.06398
|
|
100 7PZ -0.09144 0.11892 -0.00447 0.03037 -0.00947
|
|
101 8PX -0.16173 0.18684 -0.11959 0.00805 -0.04897
|
|
102 8PY 0.02878 0.02689 -0.02457 0.01860 0.01379
|
|
103 8PZ 0.10808 -0.16063 0.03453 -0.03248 0.01612
|
|
104 9PX 0.45711 -0.56142 0.06678 -0.34887 0.09580
|
|
105 9PY -0.13915 -0.18566 0.10393 0.08573 0.48330
|
|
106 9PZ -0.30271 0.23351 -0.35916 -0.02974 0.01558
|
|
107 10PX 0.56861 -0.64381 0.35262 -0.05068 -0.66503
|
|
108 10PY 0.10608 -0.86039 0.02965 -0.27915 -0.29963
|
|
109 10PZ -0.21217 0.30308 -0.12768 0.18215 0.26028
|
|
110 11PX 0.06518 -0.16428 0.09401 -0.02837 -0.00733
|
|
111 11PY -0.00140 -0.15635 -0.00427 -0.04779 -0.04998
|
|
112 11PZ -0.06727 0.11892 -0.03684 -0.00019 0.01203
|
|
113 12D 0 0.00523 0.02020 0.02545 0.01837 -0.00382
|
|
114 12D+1 -0.00914 -0.00170 -0.01402 -0.00664 0.00279
|
|
115 12D-1 0.00100 0.01128 -0.00697 -0.01575 -0.02099
|
|
116 12D+2 0.01356 -0.00798 -0.01545 -0.01785 -0.01083
|
|
117 12D-2 0.00257 -0.02380 -0.00341 0.01590 0.02894
|
|
118 13D 0 0.01262 -0.00936 -0.00021 -0.01697 -0.01026
|
|
119 13D+1 0.11165 -0.12709 0.06969 -0.02325 -0.00634
|
|
120 13D-1 0.01575 -0.01839 0.01647 -0.03727 0.02655
|
|
121 13D+2 -0.05583 0.06804 -0.04529 -0.01344 -0.00482
|
|
122 13D-2 -0.03991 0.04929 -0.04948 0.00075 0.06263
|
|
123 14D 0 0.05446 -0.14996 -0.21014 -0.08146 0.01817
|
|
124 14D+1 0.05878 0.04039 0.09692 0.00162 -0.01627
|
|
125 14D-1 0.01632 -0.09218 0.04196 0.19922 0.09334
|
|
126 14D+2 -0.04307 0.10870 0.11493 0.27519 0.00477
|
|
127 14D-2 -0.00530 0.19475 0.07332 -0.12967 -0.32758
|
|
128 15D 0 -0.10661 0.17977 0.08404 0.06175 0.12792
|
|
129 15D+1 0.10159 -0.16302 0.00913 0.02102 -0.25779
|
|
130 15D-1 -0.13510 -0.08137 0.02125 0.15544 -0.07201
|
|
131 15D+2 -0.15743 0.31960 -0.01302 0.16577 0.19608
|
|
132 15D-2 0.27777 0.00342 0.09916 -0.07124 -0.23609
|
|
133 16F 0 -0.01809 0.01899 -0.01258 0.00013 0.00569
|
|
134 16F+1 -0.00155 0.02115 -0.00167 0.00355 0.00627
|
|
135 16F-1 0.00673 0.00292 0.00181 -0.00180 0.00325
|
|
136 16F+2 0.02065 -0.02830 0.01709 -0.00443 0.01175
|
|
137 16F-2 0.00961 -0.01334 0.00778 -0.00559 0.00935
|
|
138 16F+3 -0.00821 0.02490 -0.00997 -0.00972 0.01377
|
|
139 16F-3 -0.01604 0.02049 -0.00859 -0.00281 0.00061
|
|
140 17F 0 0.05614 -0.04380 0.02175 0.00636 0.01768
|
|
141 17F+1 0.03371 -0.04296 -0.01840 -0.03708 0.01717
|
|
142 17F-1 0.07820 -0.01415 -0.02079 0.01453 -0.01442
|
|
143 17F+2 -0.07895 0.09145 -0.03828 0.02612 -0.00204
|
|
144 17F-2 -0.05938 0.04281 0.00152 -0.00500 0.03588
|
|
145 17F+3 0.08501 -0.03514 0.04489 -0.01533 0.02794
|
|
146 17F-3 0.01987 -0.00826 0.02620 -0.01643 -0.01435
|
|
147 18F 0 -0.04460 0.07385 -0.03165 -0.06285 -0.00920
|
|
148 18F+1 -0.05347 0.07482 0.02261 0.06948 -0.00504
|
|
149 18F-1 -0.20842 0.03686 0.04518 0.06107 0.06398
|
|
150 18F+2 0.10321 -0.05604 0.02986 -0.09848 0.06032
|
|
151 18F-2 0.15765 -0.03072 -0.02910 -0.05432 -0.11562
|
|
152 18F+3 -0.11316 0.05178 -0.17749 -0.02914 0.21286
|
|
153 18F-3 -0.11240 -0.02248 -0.03918 0.23650 0.10939
|
|
154 19G 0 -0.00109 0.02813 0.03078 0.02393 0.00244
|
|
155 19G+1 0.01126 0.04131 0.06134 0.04072 -0.00819
|
|
156 19G-1 -0.00125 0.01687 0.01341 -0.00250 -0.02624
|
|
157 19G+2 0.00064 -0.04547 -0.04976 -0.02953 0.01550
|
|
158 19G-2 0.01101 -0.00607 -0.03453 -0.02919 -0.02170
|
|
159 19G+3 -0.00127 0.02953 -0.01731 -0.03522 -0.04120
|
|
160 19G-3 -0.00045 -0.03375 0.00020 0.03428 0.04344
|
|
161 19G+4 0.00961 -0.00881 0.02728 0.03627 0.04392
|
|
162 19G-4 -0.01030 0.02529 0.01885 -0.00136 -0.02235
|
|
163 20G 0 0.02673 0.00949 -0.06307 0.00097 -0.00705
|
|
164 20G+1 -0.00279 -0.03652 -0.05039 -0.04327 0.01538
|
|
165 20G-1 -0.05948 -0.01667 -0.00298 -0.00580 0.02037
|
|
166 20G+2 0.04656 0.03833 0.03845 0.02141 -0.03312
|
|
167 20G-2 0.00928 0.01247 0.01963 0.02283 0.05385
|
|
168 20G+3 -0.07352 -0.00425 0.02041 0.04578 0.06228
|
|
169 20G-3 -0.01167 0.05050 -0.01061 -0.05586 -0.01904
|
|
170 20G+4 -0.03457 -0.01719 0.00607 -0.09545 -0.09952
|
|
171 20G-4 0.04768 -0.00880 -0.03726 -0.06031 0.13051
|
|
172 21H 0 -0.01212 0.11201 0.19198 0.08709 -0.00527
|
|
173 21H+1 0.04764 -0.00138 -0.03834 -0.00664 0.01053
|
|
174 21H-1 0.09563 0.01334 -0.00380 -0.08490 -0.00620
|
|
175 21H+2 -0.01680 -0.09113 -0.20461 -0.17204 0.08921
|
|
176 21H-2 -0.02232 -0.11578 -0.08112 -0.02866 0.03527
|
|
177 21H+3 0.08692 0.19332 0.04190 -0.00805 0.00847
|
|
178 21H-3 -0.04843 -0.00696 0.10592 0.14841 0.12776
|
|
179 21H+4 -0.01024 -0.04608 0.06221 0.12884 0.28692
|
|
180 21H-4 0.00126 0.11503 0.03115 -0.10055 -0.10810
|
|
181 21H+5 -0.07277 0.06154 -0.03304 -0.16676 -0.07477
|
|
182 21H-5 0.05142 -0.05930 -0.06870 -0.03187 0.10634
|
|
183 3 H 1S 0.20015 0.22586 0.10359 0.01188 0.04029
|
|
184 2S -0.66824 -0.65521 -0.30597 -0.21070 0.02995
|
|
185 3S 1.41636 1.64458 0.61379 0.43618 -0.54892
|
|
186 4S 0.39251 1.04930 0.46806 0.12739 -0.02984
|
|
187 5S 0.03227 0.04966 -0.00206 0.02317 -0.00419
|
|
188 6PX 0.01336 -0.02324 0.04367 -0.05427 0.01964
|
|
189 6PY 0.00627 -0.04928 -0.00681 0.04615 -0.05030
|
|
190 6PZ -0.01338 0.04951 -0.06968 0.04569 0.01191
|
|
191 7PX 0.09021 0.10356 -0.01522 0.11069 -0.06400
|
|
192 7PY 0.02530 0.07866 0.01444 -0.03273 0.06134
|
|
193 7PZ 0.06315 0.00066 0.10915 -0.00368 -0.03003
|
|
194 8PX -0.60032 -0.66474 -0.33948 -0.17698 0.15777
|
|
195 8PY -0.32891 -0.02190 -0.03387 -0.30134 0.19120
|
|
196 8PZ -0.44801 -0.54915 -0.07201 -0.25899 -0.00235
|
|
197 9PX -0.33420 -0.58464 -0.23477 -0.08563 0.06344
|
|
198 9PY -0.12753 -0.18605 -0.06227 -0.06380 -0.06934
|
|
199 9PZ -0.16406 -0.41840 -0.17901 -0.11355 -0.01939
|
|
200 10D 0 -0.04923 -0.28438 0.47309 -0.40862 0.07379
|
|
201 10D+1 0.16754 -0.11007 0.27806 -0.04632 -0.14544
|
|
202 10D-1 0.16943 0.14000 0.04737 -0.26340 0.34154
|
|
203 10D+2 -0.00784 0.20783 -0.23532 0.23955 -0.02428
|
|
204 10D-2 -0.11614 0.36641 -0.00024 -0.24452 0.40403
|
|
205 11D 0 0.03049 0.30355 -0.49180 0.36724 -0.01561
|
|
206 11D+1 0.01367 0.25575 -0.22293 0.10988 0.13250
|
|
207 11D-1 -0.07597 -0.13704 -0.05618 0.31122 -0.32791
|
|
208 11D+2 0.05542 -0.07424 0.28175 -0.25424 0.08601
|
|
209 11D-2 0.15628 -0.33963 0.02641 0.29845 -0.43412
|
|
210 12D 0 -0.01273 -0.03009 0.03202 -0.04136 0.04658
|
|
211 12D+1 0.23662 0.25717 0.14798 0.12059 0.00545
|
|
212 12D-1 0.04067 0.07845 0.03840 0.06458 0.05936
|
|
213 12D+2 0.15699 0.19320 0.03771 0.06947 -0.05302
|
|
214 12D-2 0.16004 0.13351 0.00477 0.05290 0.06212
|
|
215 13F 0 0.25128 0.23193 -0.10756 0.04182 0.04572
|
|
216 13F+1 -0.16613 0.18442 -0.32886 0.20477 0.02681
|
|
217 13F-1 0.16434 -0.12070 -0.05577 0.21706 -0.17038
|
|
218 13F+2 0.11024 -0.17059 -0.19027 -0.08561 0.13923
|
|
219 13F-2 -0.31489 -0.16368 -0.14926 0.05457 -0.17060
|
|
220 13F+3 -0.32307 -0.02715 0.10184 -0.18720 0.08662
|
|
221 13F-3 0.16366 -0.30340 0.01721 0.18462 -0.27747
|
|
222 14F 0 -0.10375 -0.12030 0.12199 -0.00343 -0.04512
|
|
223 14F+1 0.06071 -0.21538 0.28099 -0.19673 -0.04133
|
|
224 14F-1 -0.08355 0.06911 0.05210 -0.17811 0.10119
|
|
225 14F+2 -0.14453 0.00791 0.09486 0.04846 -0.12402
|
|
226 14F-2 0.15334 0.11049 0.08728 -0.13301 0.16741
|
|
227 14F+3 0.17292 -0.02830 -0.11263 0.16789 -0.09626
|
|
228 14F-3 -0.16358 0.20816 -0.02719 -0.16463 0.23154
|
|
229 15G 0 0.02154 -0.04296 -0.02821 -0.10925 0.10199
|
|
230 15G+1 -0.07644 0.08269 -0.05481 0.03422 -0.01121
|
|
231 15G-1 0.29476 -0.05240 -0.05680 0.10917 0.12802
|
|
232 15G+2 0.00074 0.08129 -0.10822 0.00841 0.13249
|
|
233 15G-2 0.05685 -0.00756 -0.08311 0.00765 -0.06840
|
|
234 15G+3 0.13802 0.02027 -0.01188 -0.07310 0.04586
|
|
235 15G-3 0.03569 -0.04927 -0.03214 0.03768 -0.04816
|
|
236 15G+4 -0.20846 0.11083 0.07499 -0.10324 0.10885
|
|
237 15G-4 -0.01333 -0.03622 0.05970 0.09921 -0.06428
|
|
238 4 H 1S 0.20015 -0.22586 0.10359 -0.01188 0.04029
|
|
239 2S -0.66824 0.65521 -0.30597 0.21070 0.02995
|
|
240 3S 1.41636 -1.64458 0.61379 -0.43618 -0.54892
|
|
241 4S 0.39251 -1.04930 0.46806 -0.12739 -0.02984
|
|
242 5S 0.03227 -0.04966 -0.00206 -0.02317 -0.00419
|
|
243 6PX -0.01336 -0.02324 -0.04367 -0.05427 -0.01964
|
|
244 6PY -0.00627 -0.04928 0.00681 0.04615 0.05030
|
|
245 6PZ -0.01338 -0.04951 -0.06968 -0.04569 0.01191
|
|
246 7PX -0.09021 0.10356 0.01522 0.11069 0.06400
|
|
247 7PY -0.02530 0.07866 -0.01444 -0.03273 -0.06134
|
|
248 7PZ 0.06315 -0.00066 0.10915 0.00368 -0.03003
|
|
249 8PX 0.60032 -0.66474 0.33948 -0.17698 -0.15777
|
|
250 8PY 0.32891 -0.02190 0.03387 -0.30134 -0.19120
|
|
251 8PZ -0.44801 0.54915 -0.07201 0.25899 -0.00235
|
|
252 9PX 0.33420 -0.58464 0.23477 -0.08563 -0.06344
|
|
253 9PY 0.12753 -0.18605 0.06227 -0.06380 0.06934
|
|
254 9PZ -0.16406 0.41840 -0.17901 0.11355 -0.01939
|
|
255 10D 0 -0.04923 0.28438 0.47309 0.40862 0.07379
|
|
256 10D+1 -0.16754 -0.11007 -0.27806 -0.04632 0.14544
|
|
257 10D-1 -0.16943 0.14000 -0.04737 -0.26340 -0.34154
|
|
258 10D+2 -0.00784 -0.20783 -0.23532 -0.23955 -0.02428
|
|
259 10D-2 -0.11614 -0.36641 -0.00024 0.24452 0.40403
|
|
260 11D 0 0.03049 -0.30355 -0.49180 -0.36724 -0.01561
|
|
261 11D+1 -0.01367 0.25575 0.22293 0.10988 -0.13250
|
|
262 11D-1 0.07597 -0.13704 0.05618 0.31122 0.32791
|
|
263 11D+2 0.05542 0.07424 0.28175 0.25424 0.08601
|
|
264 11D-2 0.15628 0.33963 0.02641 -0.29845 -0.43412
|
|
265 12D 0 -0.01273 0.03009 0.03202 0.04136 0.04658
|
|
266 12D+1 -0.23662 0.25717 -0.14798 0.12059 -0.00545
|
|
267 12D-1 -0.04067 0.07845 -0.03840 0.06458 -0.05936
|
|
268 12D+2 0.15699 -0.19320 0.03771 -0.06947 -0.05302
|
|
269 12D-2 0.16004 -0.13351 0.00477 -0.05290 0.06212
|
|
270 13F 0 0.25128 -0.23193 -0.10756 -0.04182 0.04572
|
|
271 13F+1 0.16613 0.18442 0.32886 0.20477 -0.02681
|
|
272 13F-1 -0.16434 -0.12070 0.05577 0.21706 0.17038
|
|
273 13F+2 0.11024 0.17059 -0.19027 0.08561 0.13923
|
|
274 13F-2 -0.31489 0.16368 -0.14926 -0.05457 -0.17060
|
|
275 13F+3 0.32307 -0.02715 -0.10184 -0.18720 -0.08662
|
|
276 13F-3 -0.16366 -0.30340 -0.01721 0.18462 0.27747
|
|
277 14F 0 -0.10375 0.12030 0.12199 0.00343 -0.04512
|
|
278 14F+1 -0.06071 -0.21538 -0.28099 -0.19673 0.04133
|
|
279 14F-1 0.08355 0.06911 -0.05210 -0.17811 -0.10119
|
|
280 14F+2 -0.14453 -0.00791 0.09486 -0.04846 -0.12402
|
|
281 14F-2 0.15334 -0.11049 0.08728 0.13301 0.16741
|
|
282 14F+3 -0.17292 -0.02830 0.11263 0.16789 0.09626
|
|
283 14F-3 0.16358 0.20816 0.02719 -0.16463 -0.23154
|
|
284 15G 0 0.02154 0.04296 -0.02821 0.10925 0.10199
|
|
285 15G+1 0.07644 0.08269 0.05481 0.03422 0.01121
|
|
286 15G-1 -0.29476 -0.05240 0.05680 0.10917 -0.12802
|
|
287 15G+2 0.00074 -0.08129 -0.10822 -0.00841 0.13249
|
|
288 15G-2 0.05685 0.00756 -0.08311 -0.00765 -0.06840
|
|
289 15G+3 -0.13802 0.02027 0.01188 -0.07310 -0.04586
|
|
290 15G-3 -0.03569 -0.04927 0.03214 0.03768 0.04816
|
|
291 15G+4 -0.20846 -0.11083 0.07499 0.10324 0.10885
|
|
292 15G-4 -0.01333 0.03622 0.05970 -0.09921 -0.06428
|
|
191 192 193 194 195
|
|
V V V V V
|
|
Eigenvalues -- 13.23279 13.24267 13.63661 13.65988 13.70654
|
|
1 1 O 1S 0.02887 0.00497 -0.00180 0.00220 -0.00069
|
|
2 2S -0.15415 0.14434 -0.00278 -0.01254 0.01208
|
|
3 3S -0.58593 0.68071 -0.02833 -0.04310 0.05191
|
|
4 4S 1.03731 -1.07180 0.08959 0.08259 -0.15840
|
|
5 5S -0.61263 -1.16216 -0.09803 -0.26469 0.33417
|
|
6 6S -1.15173 -0.14799 0.43819 -0.20801 0.03452
|
|
7 7PX -0.15700 -0.26665 0.04352 -0.00796 0.03223
|
|
8 7PY -0.01390 -0.07497 -0.01320 0.00456 -0.05188
|
|
9 7PZ -0.16451 -0.12748 0.01586 -0.03386 0.01791
|
|
10 8PX 0.31559 0.33621 -0.05505 0.00732 -0.01535
|
|
11 8PY 0.21465 0.07690 -0.00087 -0.00330 0.08904
|
|
12 8PZ 0.23290 0.20625 0.00062 0.03527 -0.02561
|
|
13 9PX -0.51216 -0.83915 0.15672 -0.01779 -0.10845
|
|
14 9PY -0.86253 0.07699 0.08263 -0.01213 -0.39568
|
|
15 9PZ -0.19514 -0.70402 -0.13838 -0.09914 0.11575
|
|
16 10PX -0.50581 -0.85030 0.11850 0.10435 0.70261
|
|
17 10PY 0.32481 -1.37520 -0.10753 0.28562 -0.16264
|
|
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|
|
251 8PZ -0.23833 0.78396 0.09717 -0.01403 0.02504
|
|
252 9PX 0.40706 -0.77793 -0.10122 -0.11387 0.04229
|
|
253 9PY 0.23645 -0.38344 -0.15349 -0.08018 -0.28669
|
|
254 9PZ -0.21966 0.53786 0.14218 -0.07390 -0.17500
|
|
255 10D 0 -0.00795 -0.17542 -0.22742 0.26246 -0.25945
|
|
256 10D+1 -0.06504 0.27535 0.16610 -0.10099 -0.40529
|
|
257 10D-1 -0.06424 -0.11842 -0.63713 0.69920 0.15032
|
|
258 10D+2 0.34302 -0.20135 0.13356 -0.15539 -0.30744
|
|
259 10D-2 -0.01327 0.05165 -0.43241 0.38412 -0.44163
|
|
260 11D 0 0.02065 0.16534 0.20530 -0.28112 0.21672
|
|
261 11D+1 -0.07644 0.02390 -0.12458 0.13775 0.40765
|
|
262 11D-1 0.08979 0.13945 0.56073 -0.64134 -0.15790
|
|
263 11D+2 -0.13706 -0.01817 -0.14666 0.13931 0.28143
|
|
264 11D-2 -0.07095 -0.13144 0.40682 -0.31203 0.44264
|
|
265 12D 0 -0.15287 0.06448 -0.21703 0.23954 -0.07258
|
|
266 12D+1 -0.10298 0.47292 0.15776 -0.08600 -0.38030
|
|
267 12D-1 -0.00441 0.14210 -0.37458 0.41795 0.22644
|
|
268 12D+2 -0.00083 -0.19740 0.16141 -0.14642 -0.14111
|
|
269 12D-2 -0.03957 -0.27076 -0.33031 0.16669 -0.53993
|
|
270 13F 0 0.14422 -0.10571 -0.14394 0.08907 -0.14197
|
|
271 13F+1 0.11173 -0.19764 0.18761 -0.13979 -0.13503
|
|
272 13F-1 0.10861 -0.12901 -0.19432 0.18373 0.07086
|
|
273 13F+2 -0.34850 0.39808 -0.07375 0.11854 0.08288
|
|
274 13F-2 -0.08441 -0.05176 0.12376 -0.10899 -0.18661
|
|
275 13F+3 0.36339 -0.20276 -0.18323 0.13163 -0.00482
|
|
276 13F-3 0.26725 -0.10843 0.15827 -0.09312 0.33212
|
|
277 14F 0 -0.05428 -0.04388 0.13311 -0.09145 0.15837
|
|
278 14F+1 -0.07239 0.09822 -0.22015 0.13528 0.14232
|
|
279 14F-1 -0.09309 0.09257 0.21138 -0.20370 -0.06355
|
|
280 14F+2 0.21160 -0.12525 0.08898 -0.08951 -0.11251
|
|
281 14F-2 0.06442 0.13717 -0.12408 0.11957 0.21079
|
|
282 14F+3 -0.23033 0.10688 0.17879 -0.13315 0.00204
|
|
283 14F-3 -0.23559 -0.01611 -0.16390 0.11477 -0.35822
|
|
284 15G 0 0.03421 -0.13625 0.04992 0.00166 -0.13178
|
|
285 15G+1 -0.13494 -0.04936 0.17739 -0.14605 0.04185
|
|
286 15G-1 0.14830 -0.09038 -0.04737 0.06925 0.01452
|
|
287 15G+2 -0.00848 -0.07578 -0.21126 0.17871 0.17155
|
|
288 15G-2 -0.02364 -0.07771 0.17599 -0.25452 -0.07606
|
|
289 15G+3 -0.00813 0.02279 0.04711 -0.00569 -0.09205
|
|
290 15G-3 -0.06479 0.12473 0.02268 0.03384 0.27655
|
|
291 15G+4 0.12901 -0.06116 0.13388 -0.13142 0.02293
|
|
292 15G-4 -0.14568 -0.04863 -0.07732 0.08320 -0.24118
|
|
196 197 198 199 200
|
|
V V V V V
|
|
Eigenvalues -- 13.71144 13.77690 13.80347 13.86780 13.92866
|
|
1 1 O 1S -0.00004 -0.00252 0.00382 -0.00828 0.01138
|
|
2 2S -0.03962 0.01594 -0.03051 0.10880 -0.11367
|
|
3 3S -0.21586 0.04966 -0.09140 0.38889 -0.38293
|
|
4 4S 0.60819 -0.01993 -0.02027 -0.23434 0.16731
|
|
5 5S -0.42215 -0.07671 0.03544 0.29488 -0.38156
|
|
6 6S -0.81295 0.45071 0.11830 0.47520 -0.17667
|
|
7 7PX 0.03852 -0.04792 -0.07425 -0.05810 -0.00754
|
|
8 7PY 0.04684 0.00034 -0.01506 0.01202 -0.06518
|
|
9 7PZ 0.03750 0.12395 0.07028 -0.00548 0.01153
|
|
10 8PX -0.00289 0.07932 0.05409 0.15632 -0.11441
|
|
11 8PY -0.06797 -0.01752 0.01084 -0.00321 0.10908
|
|
12 8PZ -0.04631 -0.14048 -0.14072 0.08643 -0.06727
|
|
13 9PX -0.10323 -0.24662 -0.17324 -0.09875 0.19866
|
|
14 9PY 0.18930 0.13690 -0.02493 0.17701 -0.27968
|
|
15 9PZ 0.24595 0.32769 0.45686 -0.09321 0.00008
|
|
16 10PX -0.12774 -0.23077 -0.20861 -0.40655 -0.39103
|
|
17 10PY 1.00121 -0.01615 -0.17125 -0.71693 -0.29275
|
|
18 10PZ -0.18947 0.43798 0.40245 0.02627 0.00124
|
|
19 11PX 0.01945 -0.00475 -0.08752 -0.03204 -0.10373
|
|
20 11PY 0.22150 -0.03821 -0.07234 -0.02889 -0.11196
|
|
21 11PZ 0.02193 0.15323 0.06481 0.04849 -0.00205
|
|
22 12D 0 -0.00590 -0.00228 -0.00228 0.00248 -0.01008
|
|
23 12D+1 -0.00481 -0.00490 0.00288 -0.00424 0.01213
|
|
24 12D-1 -0.00473 -0.00398 -0.00192 0.00142 0.00788
|
|
25 12D+2 -0.00541 -0.00236 0.00779 -0.00132 -0.01067
|
|
26 12D-2 -0.00321 -0.00070 0.00611 -0.01017 -0.00480
|
|
27 13D 0 0.01676 0.12161 0.10668 0.01801 0.00373
|
|
28 13D+1 0.05394 0.05857 0.02732 0.02993 -0.05467
|
|
29 13D-1 0.07481 0.02467 0.00595 0.04235 -0.02717
|
|
30 13D+2 -0.07353 -0.07020 -0.07226 0.00859 -0.05152
|
|
31 13D-2 0.08451 0.00350 -0.03331 0.04340 -0.05534
|
|
32 14D 0 0.05153 0.03344 0.14913 0.05540 -0.06618
|
|
33 14D+1 -0.00209 0.04737 0.10597 -0.13110 0.15456
|
|
34 14D-1 -0.02628 0.04094 -0.00056 -0.03592 0.01502
|
|
35 14D+2 0.02803 -0.02985 -0.01067 -0.08165 0.05416
|
|
36 14D-2 -0.00070 0.03842 -0.01401 -0.09896 -0.01730
|
|
37 15D 0 0.17017 0.23068 0.19626 -0.09898 -0.00207
|
|
38 15D+1 0.04584 0.14229 0.07567 -0.22744 -0.05406
|
|
39 15D-1 0.27511 -0.08305 -0.05758 -0.17329 -0.22621
|
|
40 15D+2 0.07061 -0.22172 -0.08958 -0.27253 0.04242
|
|
41 15D-2 -0.00643 0.13359 -0.00941 0.14427 0.11444
|
|
42 16F 0 0.00283 -0.00640 -0.01540 -0.01497 0.01709
|
|
43 16F+1 -0.01730 -0.03899 -0.04288 -0.00789 0.00268
|
|
44 16F-1 -0.01049 -0.00149 -0.00831 -0.00557 -0.00028
|
|
45 16F+2 0.00149 0.00150 0.00042 0.01047 0.01868
|
|
46 16F-2 -0.02087 -0.01209 0.00221 -0.01584 0.00136
|
|
47 16F+3 0.02909 0.01998 0.01687 -0.01645 0.00792
|
|
48 16F-3 -0.01819 -0.00454 0.01297 -0.00192 0.01117
|
|
49 17F 0 -0.06929 0.01683 0.05786 0.05219 0.01350
|
|
50 17F+1 0.02655 0.07285 0.08297 0.00434 -0.01278
|
|
51 17F-1 -0.00787 0.01409 -0.01042 -0.00056 0.02335
|
|
52 17F+2 0.00099 0.01985 0.00717 0.01465 0.03095
|
|
53 17F-2 0.05239 0.01315 -0.01589 -0.01887 -0.05787
|
|
54 17F+3 -0.03120 -0.05159 -0.02010 -0.04090 -0.04282
|
|
55 17F-3 -0.01087 0.00030 0.00715 0.04429 0.01222
|
|
56 18F 0 0.01418 -0.05010 0.01114 0.00778 -0.10766
|
|
57 18F+1 -0.01833 -0.05193 -0.01017 -0.00601 0.02665
|
|
58 18F-1 -0.08788 -0.08958 0.01739 0.05832 -0.09156
|
|
59 18F+2 0.05720 -0.00523 -0.01202 -0.09881 -0.02789
|
|
60 18F-2 -0.09220 -0.02687 -0.00801 0.02793 0.00025
|
|
61 18F+3 -0.09507 0.04960 0.03890 0.16488 0.18110
|
|
62 18F-3 -0.14550 0.08057 -0.01258 0.01115 -0.15197
|
|
63 19G 0 0.01413 0.00036 -0.00495 0.01048 -0.02306
|
|
64 19G+1 0.01222 0.00071 -0.01411 0.01129 -0.00819
|
|
65 19G-1 0.00026 0.00441 0.00367 0.00964 0.01557
|
|
66 19G+2 -0.00255 -0.00376 0.00365 -0.02595 -0.00381
|
|
67 19G-2 0.00048 0.00739 0.00880 -0.01136 0.00998
|
|
68 19G+3 -0.00540 0.00498 0.00389 -0.01927 0.02663
|
|
69 19G-3 0.00567 0.00141 0.00309 -0.02039 0.03562
|
|
70 19G+4 0.01190 0.00589 -0.00300 -0.02360 -0.01112
|
|
71 19G-4 0.00698 -0.00484 -0.00230 -0.03741 0.01151
|
|
72 20G 0 -0.02529 0.01292 0.06440 0.00632 -0.00905
|
|
73 20G+1 -0.06639 -0.06184 -0.00996 0.00899 -0.00339
|
|
74 20G-1 -0.02833 -0.02338 0.00077 0.03489 -0.01234
|
|
75 20G+2 -0.01028 -0.02313 -0.03503 0.00679 -0.03480
|
|
76 20G-2 -0.03864 -0.03692 -0.04758 0.00118 -0.05137
|
|
77 20G+3 0.01884 0.02318 0.01040 0.04613 -0.02552
|
|
78 20G-3 -0.04615 0.00491 -0.00958 0.02174 -0.07472
|
|
79 20G+4 -0.01733 0.01741 -0.00160 0.03843 -0.02414
|
|
80 20G-4 -0.03585 0.01262 0.02059 0.04076 -0.11353
|
|
81 21H 0 -0.01676 0.00687 -0.02602 -0.03511 0.17015
|
|
82 21H+1 0.03795 0.00740 -0.06072 0.14310 -0.15679
|
|
83 21H-1 0.00773 0.03884 0.00789 -0.00023 -0.06487
|
|
84 21H+2 0.02161 0.00384 -0.00542 0.00419 0.13918
|
|
85 21H-2 0.02486 -0.01393 0.02486 -0.08719 0.00581
|
|
86 21H+3 -0.00737 -0.01166 0.03743 -0.16874 0.03940
|
|
87 21H-3 -0.00810 0.00502 0.01098 0.03317 0.15755
|
|
88 21H+4 -0.03051 -0.01553 0.00230 0.05596 0.18519
|
|
89 21H-4 0.02380 0.00743 0.06232 -0.26593 0.04171
|
|
90 21H+5 0.01375 0.00142 0.04565 -0.19159 -0.02824
|
|
91 21H-5 -0.00615 -0.00539 -0.02060 -0.02054 0.21836
|
|
92 2 O 1S 0.00004 -0.00252 -0.00382 0.00828 0.01138
|
|
93 2S 0.03962 0.01594 0.03051 -0.10880 -0.11367
|
|
94 3S 0.21586 0.04966 0.09140 -0.38889 -0.38293
|
|
95 4S -0.60819 -0.01993 0.02027 0.23434 0.16731
|
|
96 5S 0.42215 -0.07671 -0.03544 -0.29488 -0.38156
|
|
97 6S 0.81295 0.45071 -0.11830 -0.47520 -0.17667
|
|
98 7PX 0.03852 0.04792 -0.07425 -0.05810 0.00754
|
|
99 7PY 0.04684 -0.00034 -0.01506 0.01202 0.06518
|
|
100 7PZ -0.03750 0.12395 -0.07028 0.00548 0.01153
|
|
101 8PX -0.00289 -0.07932 0.05409 0.15632 0.11441
|
|
102 8PY -0.06797 0.01752 0.01084 -0.00321 -0.10908
|
|
103 8PZ 0.04631 -0.14048 0.14072 -0.08643 -0.06727
|
|
104 9PX -0.10323 0.24662 -0.17324 -0.09875 -0.19866
|
|
105 9PY 0.18930 -0.13690 -0.02493 0.17701 0.27968
|
|
106 9PZ -0.24595 0.32769 -0.45686 0.09321 0.00008
|
|
107 10PX -0.12774 0.23077 -0.20861 -0.40655 0.39103
|
|
108 10PY 1.00121 0.01615 -0.17125 -0.71693 0.29275
|
|
109 10PZ 0.18947 0.43798 -0.40245 -0.02627 0.00124
|
|
110 11PX 0.01945 0.00475 -0.08752 -0.03204 0.10373
|
|
111 11PY 0.22150 0.03821 -0.07234 -0.02889 0.11196
|
|
112 11PZ -0.02193 0.15323 -0.06481 -0.04849 -0.00205
|
|
113 12D 0 0.00590 -0.00228 0.00228 -0.00248 -0.01008
|
|
114 12D+1 -0.00481 0.00490 0.00288 -0.00424 -0.01213
|
|
115 12D-1 -0.00473 0.00398 -0.00192 0.00142 -0.00788
|
|
116 12D+2 0.00541 -0.00236 -0.00779 0.00132 -0.01067
|
|
117 12D-2 0.00321 -0.00070 -0.00611 0.01017 -0.00480
|
|
118 13D 0 -0.01676 0.12161 -0.10668 -0.01801 0.00373
|
|
119 13D+1 0.05394 -0.05857 0.02732 0.02993 0.05467
|
|
120 13D-1 0.07481 -0.02467 0.00595 0.04235 0.02717
|
|
121 13D+2 0.07353 -0.07020 0.07226 -0.00859 -0.05152
|
|
122 13D-2 -0.08451 0.00350 0.03331 -0.04340 -0.05534
|
|
123 14D 0 -0.05153 0.03344 -0.14913 -0.05540 -0.06618
|
|
124 14D+1 -0.00209 -0.04737 0.10597 -0.13110 -0.15456
|
|
125 14D-1 -0.02628 -0.04094 -0.00056 -0.03592 -0.01502
|
|
126 14D+2 -0.02803 -0.02985 0.01067 0.08165 0.05416
|
|
127 14D-2 0.00070 0.03842 0.01401 0.09896 -0.01730
|
|
128 15D 0 -0.17017 0.23068 -0.19626 0.09898 -0.00207
|
|
129 15D+1 0.04584 -0.14229 0.07567 -0.22744 0.05406
|
|
130 15D-1 0.27511 0.08305 -0.05758 -0.17329 0.22621
|
|
131 15D+2 -0.07061 -0.22172 0.08958 0.27253 0.04242
|
|
132 15D-2 0.00643 0.13359 0.00941 -0.14427 0.11444
|
|
133 16F 0 -0.00283 -0.00640 0.01540 0.01497 0.01709
|
|
134 16F+1 -0.01730 0.03899 -0.04288 -0.00789 -0.00268
|
|
135 16F-1 -0.01049 0.00149 -0.00831 -0.00557 0.00028
|
|
136 16F+2 -0.00149 0.00150 -0.00042 -0.01047 0.01868
|
|
137 16F-2 0.02087 -0.01209 -0.00221 0.01584 0.00136
|
|
138 16F+3 0.02909 -0.01998 0.01687 -0.01645 -0.00792
|
|
139 16F-3 -0.01819 0.00454 0.01297 -0.00192 -0.01117
|
|
140 17F 0 0.06929 0.01683 -0.05786 -0.05219 0.01350
|
|
141 17F+1 0.02655 -0.07285 0.08297 0.00434 0.01278
|
|
142 17F-1 -0.00787 -0.01409 -0.01042 -0.00056 -0.02335
|
|
143 17F+2 -0.00099 0.01985 -0.00717 -0.01465 0.03095
|
|
144 17F-2 -0.05239 0.01315 0.01589 0.01887 -0.05787
|
|
145 17F+3 -0.03120 0.05159 -0.02010 -0.04090 0.04282
|
|
146 17F-3 -0.01087 -0.00030 0.00715 0.04429 -0.01222
|
|
147 18F 0 -0.01418 -0.05010 -0.01114 -0.00778 -0.10766
|
|
148 18F+1 -0.01833 0.05193 -0.01017 -0.00601 -0.02665
|
|
149 18F-1 -0.08788 0.08958 0.01739 0.05832 0.09156
|
|
150 18F+2 -0.05720 -0.00523 0.01202 0.09881 -0.02789
|
|
151 18F-2 0.09220 -0.02687 0.00801 -0.02793 0.00025
|
|
152 18F+3 -0.09507 -0.04960 0.03890 0.16488 -0.18110
|
|
153 18F-3 -0.14550 -0.08057 -0.01258 0.01115 0.15197
|
|
154 19G 0 -0.01413 0.00036 0.00495 -0.01048 -0.02306
|
|
155 19G+1 0.01222 -0.00071 -0.01411 0.01129 0.00819
|
|
156 19G-1 0.00026 -0.00441 0.00367 0.00964 -0.01557
|
|
157 19G+2 0.00255 -0.00376 -0.00365 0.02595 -0.00381
|
|
158 19G-2 -0.00048 0.00739 -0.00880 0.01136 0.00998
|
|
159 19G+3 -0.00540 -0.00498 0.00389 -0.01927 -0.02663
|
|
160 19G-3 0.00567 -0.00141 0.00309 -0.02039 -0.03562
|
|
161 19G+4 -0.01190 0.00589 0.00300 0.02360 -0.01112
|
|
162 19G-4 -0.00698 -0.00484 0.00230 0.03741 0.01151
|
|
163 20G 0 0.02529 0.01292 -0.06440 -0.00632 -0.00905
|
|
164 20G+1 -0.06639 0.06184 -0.00996 0.00899 0.00339
|
|
165 20G-1 -0.02833 0.02338 0.00077 0.03489 0.01234
|
|
166 20G+2 0.01028 -0.02313 0.03503 -0.00679 -0.03480
|
|
167 20G-2 0.03864 -0.03692 0.04758 -0.00118 -0.05137
|
|
168 20G+3 0.01884 -0.02318 0.01040 0.04613 0.02552
|
|
169 20G-3 -0.04615 -0.00491 -0.00958 0.02174 0.07472
|
|
170 20G+4 0.01733 0.01741 0.00160 -0.03843 -0.02414
|
|
171 20G-4 0.03585 0.01262 -0.02059 -0.04076 -0.11353
|
|
172 21H 0 0.01676 0.00687 0.02602 0.03511 0.17015
|
|
173 21H+1 0.03795 -0.00740 -0.06072 0.14310 0.15679
|
|
174 21H-1 0.00773 -0.03884 0.00789 -0.00023 0.06487
|
|
175 21H+2 -0.02161 0.00384 0.00542 -0.00419 0.13918
|
|
176 21H-2 -0.02486 -0.01393 -0.02486 0.08719 0.00581
|
|
177 21H+3 -0.00737 0.01166 0.03743 -0.16874 -0.03940
|
|
178 21H-3 -0.00810 -0.00502 0.01098 0.03317 -0.15755
|
|
179 21H+4 0.03051 -0.01553 -0.00230 -0.05596 0.18519
|
|
180 21H-4 -0.02380 0.00743 -0.06232 0.26593 0.04171
|
|
181 21H+5 0.01375 -0.00142 0.04565 -0.19159 0.02824
|
|
182 21H-5 -0.00615 0.00539 -0.02060 -0.02054 -0.21836
|
|
183 3 H 1S -0.03721 -0.03243 -0.03717 0.30945 -0.25036
|
|
184 2S 0.12720 0.03582 0.06053 -0.41840 0.28395
|
|
185 3S 0.08993 -0.06723 -0.21396 0.90960 -0.13639
|
|
186 4S -0.32930 -0.42706 0.25183 -0.30972 0.49409
|
|
187 5S -0.02267 0.02071 -0.00067 0.10545 -0.06475
|
|
188 6PX -0.01379 -0.05159 -0.07003 0.16397 -0.16706
|
|
189 6PY 0.03195 -0.00795 -0.00995 0.07760 -0.07070
|
|
190 6PZ 0.02618 0.06546 0.02281 0.12092 -0.10320
|
|
191 7PX -0.04960 -0.03009 0.02078 -0.26721 0.24985
|
|
192 7PY 0.03137 0.00845 0.00634 -0.04677 0.04650
|
|
193 7PZ -0.00601 0.07051 0.08443 -0.16743 0.17258
|
|
194 8PX 0.09857 0.14472 0.17480 -0.00005 -0.23250
|
|
195 8PY -0.09752 -0.04504 0.08846 -0.00374 0.17789
|
|
196 8PZ -0.05279 -0.16908 -0.19689 0.00654 -0.10010
|
|
197 9PX 0.30194 0.42699 0.16863 0.16251 -0.24125
|
|
198 9PY -0.08098 0.07219 -0.01882 -0.23691 0.32304
|
|
199 9PZ -0.00029 -0.35658 -0.43462 0.01306 -0.19789
|
|
200 10D 0 0.49619 0.51275 0.19326 0.01621 0.06684
|
|
201 10D+1 -0.35235 0.07378 0.42073 -0.13779 0.22078
|
|
202 10D-1 0.27815 0.33444 0.18274 0.11270 0.03747
|
|
203 10D+2 0.17725 -0.18760 -0.33771 -0.26278 0.26148
|
|
204 10D-2 0.27226 -0.11977 -0.20245 -0.06299 -0.11413
|
|
205 11D 0 -0.47790 -0.56728 -0.21300 -0.01281 -0.09401
|
|
206 11D+1 0.30719 -0.11280 -0.43345 0.20442 -0.26248
|
|
207 11D-1 -0.28310 -0.33013 -0.19321 -0.12489 -0.06771
|
|
208 11D+2 -0.15119 0.21265 0.32882 0.35474 -0.28959
|
|
209 11D-2 -0.28969 0.14046 0.17137 0.04952 0.08056
|
|
210 12D 0 0.46975 0.71060 0.49626 -0.06259 0.15083
|
|
211 12D+1 -0.25570 0.20294 0.47453 -0.17890 0.29756
|
|
212 12D-1 0.25562 0.37637 0.16024 0.10966 -0.07499
|
|
213 12D+2 -0.03521 -0.32310 -0.41450 -0.52078 0.47608
|
|
214 12D-2 0.26606 -0.15617 -0.20454 0.00267 -0.22823
|
|
215 13F 0 0.19673 0.09414 0.00776 -0.04008 0.02304
|
|
216 13F+1 0.14349 0.37150 0.37197 -0.01701 0.09035
|
|
217 13F-1 0.15621 0.23512 0.08840 -0.08798 0.06348
|
|
218 13F+2 -0.10667 -0.08719 0.05943 -0.22123 0.13594
|
|
219 13F-2 0.17014 0.12800 0.08554 0.01846 0.01973
|
|
220 13F+3 -0.01409 -0.06941 -0.13637 -0.28310 0.20744
|
|
221 13F-3 0.23608 -0.09283 -0.16603 -0.16009 0.09848
|
|
222 14F 0 -0.25221 -0.12520 -0.02097 0.05196 -0.02079
|
|
223 14F+1 -0.14828 -0.42419 -0.46742 0.01100 -0.10705
|
|
224 14F-1 -0.15899 -0.26118 -0.12035 0.07643 -0.05307
|
|
225 14F+2 0.14009 0.09287 -0.07871 0.23941 -0.19089
|
|
226 14F-2 -0.18128 -0.16070 -0.07897 -0.00867 0.00505
|
|
227 14F+3 0.02923 0.10079 0.17926 0.32054 -0.28115
|
|
228 14F-3 -0.22439 0.10255 0.19931 0.16762 -0.06973
|
|
229 15G 0 0.08665 -0.12593 -0.23188 0.01156 -0.10373
|
|
230 15G+1 0.29599 0.31219 0.15535 0.00793 0.01510
|
|
231 15G-1 0.03810 0.06066 0.05527 0.03000 0.02868
|
|
232 15G+2 -0.03612 0.14564 0.30011 -0.03541 0.07755
|
|
233 15G-2 0.16052 0.24724 0.21824 -0.03278 0.01559
|
|
234 15G+3 -0.13659 -0.12765 0.01576 -0.29301 0.25924
|
|
235 15G-3 0.16831 0.02382 0.00632 -0.07457 0.16597
|
|
236 15G+4 -0.07478 -0.08473 -0.08350 -0.14309 0.18398
|
|
237 15G-4 0.15425 -0.07126 -0.15983 -0.16256 0.07966
|
|
238 4 H 1S 0.03721 -0.03243 0.03717 -0.30945 -0.25036
|
|
239 2S -0.12720 0.03582 -0.06053 0.41840 0.28395
|
|
240 3S -0.08993 -0.06723 0.21396 -0.90960 -0.13639
|
|
241 4S 0.32930 -0.42706 -0.25183 0.30972 0.49409
|
|
242 5S 0.02267 0.02071 0.00067 -0.10545 -0.06475
|
|
243 6PX -0.01379 0.05159 -0.07003 0.16397 0.16706
|
|
244 6PY 0.03195 0.00795 -0.00995 0.07760 0.07070
|
|
245 6PZ -0.02618 0.06546 -0.02281 -0.12092 -0.10320
|
|
246 7PX -0.04960 0.03009 0.02078 -0.26721 -0.24985
|
|
247 7PY 0.03137 -0.00845 0.00634 -0.04677 -0.04650
|
|
248 7PZ 0.00601 0.07051 -0.08443 0.16743 0.17258
|
|
249 8PX 0.09857 -0.14472 0.17480 -0.00005 0.23250
|
|
250 8PY -0.09752 0.04504 0.08846 -0.00374 -0.17789
|
|
251 8PZ 0.05279 -0.16908 0.19689 -0.00654 -0.10010
|
|
252 9PX 0.30194 -0.42699 0.16863 0.16251 0.24125
|
|
253 9PY -0.08098 -0.07219 -0.01882 -0.23691 -0.32304
|
|
254 9PZ 0.00029 -0.35658 0.43462 -0.01306 -0.19789
|
|
255 10D 0 -0.49619 0.51275 -0.19326 -0.01621 0.06684
|
|
256 10D+1 -0.35235 -0.07378 0.42073 -0.13779 -0.22078
|
|
257 10D-1 0.27815 -0.33444 0.18274 0.11270 -0.03747
|
|
258 10D+2 -0.17725 -0.18760 0.33771 0.26278 0.26148
|
|
259 10D-2 -0.27226 -0.11977 0.20245 0.06299 -0.11413
|
|
260 11D 0 0.47790 -0.56728 0.21300 0.01281 -0.09401
|
|
261 11D+1 0.30719 0.11280 -0.43345 0.20442 0.26248
|
|
262 11D-1 -0.28310 0.33013 -0.19321 -0.12489 0.06771
|
|
263 11D+2 0.15119 0.21265 -0.32882 -0.35474 -0.28959
|
|
264 11D-2 0.28969 0.14046 -0.17137 -0.04952 0.08056
|
|
265 12D 0 -0.46975 0.71060 -0.49626 0.06259 0.15083
|
|
266 12D+1 -0.25570 -0.20294 0.47453 -0.17890 -0.29756
|
|
267 12D-1 0.25562 -0.37637 0.16024 0.10966 0.07499
|
|
268 12D+2 0.03521 -0.32310 0.41450 0.52078 0.47608
|
|
269 12D-2 -0.26606 -0.15617 0.20454 -0.00267 -0.22823
|
|
270 13F 0 -0.19673 0.09414 -0.00776 0.04008 0.02304
|
|
271 13F+1 0.14349 -0.37150 0.37197 -0.01701 -0.09035
|
|
272 13F-1 0.15621 -0.23512 0.08840 -0.08798 -0.06348
|
|
273 13F+2 0.10667 -0.08719 -0.05943 0.22123 0.13594
|
|
274 13F-2 -0.17014 0.12800 -0.08554 -0.01846 0.01973
|
|
275 13F+3 -0.01409 0.06941 -0.13637 -0.28310 -0.20744
|
|
276 13F-3 0.23608 0.09283 -0.16603 -0.16009 -0.09848
|
|
277 14F 0 0.25221 -0.12520 0.02097 -0.05196 -0.02079
|
|
278 14F+1 -0.14828 0.42419 -0.46742 0.01100 0.10705
|
|
279 14F-1 -0.15899 0.26118 -0.12035 0.07643 0.05307
|
|
280 14F+2 -0.14009 0.09287 0.07871 -0.23941 -0.19089
|
|
281 14F-2 0.18128 -0.16070 0.07897 0.00867 0.00505
|
|
282 14F+3 0.02923 -0.10079 0.17926 0.32054 0.28115
|
|
283 14F-3 -0.22439 -0.10255 0.19931 0.16762 0.06973
|
|
284 15G 0 -0.08665 -0.12593 0.23188 -0.01156 -0.10373
|
|
285 15G+1 0.29599 -0.31219 0.15535 0.00793 -0.01510
|
|
286 15G-1 0.03810 -0.06066 0.05527 0.03000 -0.02868
|
|
287 15G+2 0.03612 0.14564 -0.30011 0.03541 0.07755
|
|
288 15G-2 -0.16052 0.24724 -0.21824 0.03278 0.01559
|
|
289 15G+3 -0.13659 0.12765 0.01576 -0.29301 -0.25924
|
|
290 15G-3 0.16831 -0.02382 0.00632 -0.07457 -0.16597
|
|
291 15G+4 0.07478 -0.08473 0.08350 0.14309 0.18398
|
|
292 15G-4 -0.15425 -0.07126 0.15983 0.16256 0.07966
|
|
201 202 203 204 205
|
|
V V V V V
|
|
Eigenvalues -- 13.99515 14.03332 14.07167 14.07228 14.18265
|
|
1 1 O 1S -0.00567 0.01016 0.00978 0.00011 -0.01063
|
|
2 2S 0.03323 -0.06728 -0.09956 -0.01091 0.10272
|
|
3 3S 0.08391 -0.19355 -0.41691 -0.09243 0.37949
|
|
4 4S 0.19707 -0.07217 0.65023 0.40836 -0.48444
|
|
5 5S -0.56127 0.01966 -0.13432 0.36228 0.48579
|
|
6 6S 0.33759 -0.33116 -0.72420 -0.05539 1.37220
|
|
7 7PX 0.08997 -0.07775 0.01182 -0.01675 0.11640
|
|
8 7PY -0.07809 -0.00108 0.01458 -0.07787 0.08699
|
|
9 7PZ 0.03591 -0.08769 0.00231 0.05210 0.05250
|
|
10 8PX -0.08306 0.01429 0.03214 0.08024 -0.03787
|
|
11 8PY 0.08547 0.02065 0.10420 0.16292 -0.07713
|
|
12 8PZ -0.00413 0.04105 0.01559 -0.04545 0.01043
|
|
13 9PX 0.27780 -0.04634 -0.14431 0.03566 -0.05305
|
|
14 9PY -0.08053 -0.22646 -0.44859 -0.47798 0.24973
|
|
15 9PZ -0.02711 -0.02023 -0.05532 0.29380 -0.12801
|
|
16 10PX -1.04510 0.05631 0.06646 -0.68525 -0.13769
|
|
17 10PY -0.58739 0.07382 0.34871 -0.99704 -1.13403
|
|
18 10PZ -0.21277 0.05401 -0.15889 -0.81948 0.15300
|
|
19 11PX -0.03105 -0.09179 -0.01421 0.02794 0.04850
|
|
20 11PY -0.16720 0.01397 0.11283 -0.01526 -0.16371
|
|
21 11PZ 0.05200 -0.03863 -0.07168 -0.00660 0.09724
|
|
22 12D 0 0.00095 -0.00587 -0.01063 0.00056 -0.00143
|
|
23 12D+1 -0.00409 0.01678 -0.00252 -0.00395 -0.01730
|
|
24 12D-1 0.00034 -0.00168 0.00381 -0.01206 -0.00217
|
|
25 12D+2 -0.00877 -0.00034 -0.03089 0.00067 -0.01839
|
|
26 12D-2 -0.01169 0.00767 0.00180 0.00000 -0.00296
|
|
27 13D 0 0.01569 0.01335 -0.02249 0.04687 0.04282
|
|
28 13D+1 0.06616 -0.05320 0.00130 0.03142 0.05681
|
|
29 13D-1 -0.02532 0.02062 0.03147 -0.07248 0.03849
|
|
30 13D+2 0.08617 -0.06619 -0.03372 0.10569 0.11372
|
|
31 13D-2 -0.07720 -0.03596 0.06281 -0.05566 0.01824
|
|
32 14D 0 -0.05295 -0.03743 -0.03730 -0.06434 -0.18363
|
|
33 14D+1 -0.01476 0.03333 -0.07482 0.04817 -0.05312
|
|
34 14D-1 -0.05497 -0.11923 -0.06688 -0.08044 -0.00288
|
|
35 14D+2 -0.06463 0.04497 -0.08851 -0.26122 -0.30666
|
|
36 14D-2 -0.08792 0.02607 -0.08544 -0.13181 0.08072
|
|
37 15D 0 -0.16597 0.08558 0.22877 -0.08897 -0.22942
|
|
38 15D+1 -0.35021 0.07284 0.05861 -0.33032 -0.00499
|
|
39 15D-1 -0.16298 0.03885 0.03312 0.16373 -0.18860
|
|
40 15D+2 -0.39151 0.15957 0.28799 -0.68612 -0.37433
|
|
41 15D-2 0.31786 0.04933 -0.28945 -0.22376 0.02964
|
|
42 16F 0 0.00386 -0.03073 0.00588 0.00284 0.00913
|
|
43 16F+1 -0.00290 -0.00432 0.00299 -0.01074 0.00725
|
|
44 16F-1 0.01229 0.00884 0.01584 0.00220 0.00873
|
|
45 16F+2 -0.01478 -0.02304 0.01858 -0.00952 0.00640
|
|
46 16F-2 0.01575 0.00596 -0.00020 0.01698 0.00913
|
|
47 16F+3 -0.00813 -0.00494 0.00930 -0.01454 0.03310
|
|
48 16F-3 0.01034 -0.00362 -0.00897 0.02276 0.00447
|
|
49 17F 0 -0.08581 -0.01406 0.03467 -0.06566 -0.07516
|
|
50 17F+1 -0.00186 -0.01289 -0.00853 0.05187 0.00314
|
|
51 17F-1 -0.02306 0.01355 0.07668 -0.06804 0.00168
|
|
52 17F+2 0.07220 -0.08724 -0.01857 0.04694 0.03266
|
|
53 17F-2 -0.06544 -0.02046 0.00491 -0.10945 0.04568
|
|
54 17F+3 -0.03841 -0.03857 0.01685 -0.02493 -0.01834
|
|
55 17F-3 -0.07043 0.03014 0.06888 -0.08783 0.03350
|
|
56 18F 0 -0.06678 0.04865 0.05298 0.09889 -0.15250
|
|
57 18F+1 0.03275 0.00740 0.02673 -0.06502 0.00976
|
|
58 18F-1 0.07714 -0.07254 -0.14529 0.04121 0.05132
|
|
59 18F+2 -0.11513 0.07990 0.05063 -0.02079 -0.02904
|
|
60 18F-2 0.20126 -0.00803 -0.15966 0.01268 -0.01663
|
|
61 18F+3 0.05625 0.06509 -0.04846 -0.19559 -0.06428
|
|
62 18F-3 0.03761 -0.02282 -0.26123 0.24528 0.04464
|
|
63 19G 0 0.01977 -0.01069 -0.02083 0.02148 0.00610
|
|
64 19G+1 0.02388 0.00303 -0.00833 0.01880 0.01184
|
|
65 19G-1 0.00008 -0.02155 0.00944 0.00507 0.01489
|
|
66 19G+2 -0.00945 -0.00491 -0.01890 -0.01935 -0.00212
|
|
67 19G-2 -0.00673 0.00891 -0.01575 0.02160 0.00451
|
|
68 19G+3 0.00386 0.01893 0.00997 -0.02019 0.00348
|
|
69 19G-3 0.01080 -0.02374 0.00599 0.00880 -0.00864
|
|
70 19G+4 -0.00007 0.00184 -0.03230 0.01105 0.00939
|
|
71 19G-4 0.00563 0.00107 0.00671 0.00859 0.02562
|
|
72 20G 0 -0.03216 0.02092 0.02468 -0.02657 -0.06665
|
|
73 20G+1 -0.04449 0.02673 0.02890 -0.05828 -0.08571
|
|
74 20G-1 -0.00557 0.02871 0.01759 -0.08452 -0.00654
|
|
75 20G+2 0.04497 -0.03896 0.02257 0.04529 0.08505
|
|
76 20G-2 0.01607 -0.01539 -0.02050 -0.03968 -0.00974
|
|
77 20G+3 0.03351 -0.03402 0.02685 -0.04769 0.05431
|
|
78 20G-3 0.04676 -0.00883 -0.05375 0.00313 0.00410
|
|
79 20G+4 -0.06825 -0.04932 -0.02760 -0.02784 -0.00073
|
|
80 20G-4 -0.04603 0.02478 -0.03985 0.01204 -0.03213
|
|
81 21H 0 -0.02968 -0.37847 0.01928 0.05928 0.03245
|
|
82 21H+1 0.02284 0.07071 -0.12874 0.08592 0.07510
|
|
83 21H-1 0.21392 0.05529 0.49514 0.01439 0.04809
|
|
84 21H+2 0.01575 -0.36010 0.10458 0.03719 0.02227
|
|
85 21H-2 -0.05281 -0.15095 -0.17620 0.02487 0.14943
|
|
86 21H+3 -0.08914 0.11058 -0.15840 -0.04891 0.03571
|
|
87 21H-3 0.02528 0.11213 0.19182 0.03509 -0.14071
|
|
88 21H+4 -0.04266 0.02030 0.09195 -0.08170 -0.15319
|
|
89 21H-4 0.04673 0.05596 0.03389 -0.10717 0.16924
|
|
90 21H+5 0.03804 -0.00432 0.06285 0.05389 0.19220
|
|
91 21H-5 -0.06528 -0.07300 -0.05220 0.05947 -0.03925
|
|
92 2 O 1S -0.00567 0.01016 0.00978 -0.00011 0.01063
|
|
93 2S 0.03323 -0.06728 -0.09956 0.01091 -0.10272
|
|
94 3S 0.08391 -0.19355 -0.41691 0.09243 -0.37949
|
|
95 4S 0.19707 -0.07217 0.65023 -0.40836 0.48444
|
|
96 5S -0.56127 0.01966 -0.13432 -0.36228 -0.48579
|
|
97 6S 0.33759 -0.33116 -0.72420 0.05539 -1.37220
|
|
98 7PX -0.08997 0.07775 -0.01182 -0.01675 0.11640
|
|
99 7PY 0.07809 0.00108 -0.01458 -0.07787 0.08699
|
|
100 7PZ 0.03591 -0.08769 0.00231 -0.05210 -0.05250
|
|
101 8PX 0.08306 -0.01429 -0.03214 0.08024 -0.03787
|
|
102 8PY -0.08547 -0.02065 -0.10420 0.16292 -0.07713
|
|
103 8PZ -0.00413 0.04105 0.01559 0.04545 -0.01043
|
|
104 9PX -0.27780 0.04634 0.14431 0.03566 -0.05305
|
|
105 9PY 0.08053 0.22646 0.44859 -0.47798 0.24973
|
|
106 9PZ -0.02711 -0.02023 -0.05532 -0.29380 0.12801
|
|
107 10PX 1.04510 -0.05631 -0.06646 -0.68525 -0.13769
|
|
108 10PY 0.58739 -0.07382 -0.34871 -0.99704 -1.13403
|
|
109 10PZ -0.21277 0.05401 -0.15889 0.81948 -0.15300
|
|
110 11PX 0.03105 0.09179 0.01421 0.02794 0.04850
|
|
111 11PY 0.16720 -0.01397 -0.11283 -0.01526 -0.16371
|
|
112 11PZ 0.05200 -0.03863 -0.07168 0.00660 -0.09724
|
|
113 12D 0 0.00095 -0.00587 -0.01063 -0.00056 0.00143
|
|
114 12D+1 0.00409 -0.01678 0.00252 -0.00395 -0.01730
|
|
115 12D-1 -0.00034 0.00168 -0.00381 -0.01206 -0.00217
|
|
116 12D+2 -0.00877 -0.00034 -0.03089 -0.00067 0.01839
|
|
117 12D-2 -0.01169 0.00767 0.00180 0.00000 0.00296
|
|
118 13D 0 0.01569 0.01335 -0.02249 -0.04687 -0.04282
|
|
119 13D+1 -0.06616 0.05320 -0.00130 0.03142 0.05681
|
|
120 13D-1 0.02532 -0.02062 -0.03147 -0.07248 0.03849
|
|
121 13D+2 0.08617 -0.06619 -0.03372 -0.10569 -0.11372
|
|
122 13D-2 -0.07720 -0.03596 0.06281 0.05566 -0.01824
|
|
123 14D 0 -0.05295 -0.03743 -0.03730 0.06434 0.18363
|
|
124 14D+1 0.01476 -0.03333 0.07482 0.04817 -0.05312
|
|
125 14D-1 0.05497 0.11923 0.06688 -0.08044 -0.00288
|
|
126 14D+2 -0.06463 0.04497 -0.08851 0.26122 0.30666
|
|
127 14D-2 -0.08792 0.02607 -0.08544 0.13181 -0.08072
|
|
128 15D 0 -0.16597 0.08558 0.22877 0.08897 0.22942
|
|
129 15D+1 0.35021 -0.07284 -0.05861 -0.33032 -0.00499
|
|
130 15D-1 0.16298 -0.03885 -0.03312 0.16373 -0.18860
|
|
131 15D+2 -0.39151 0.15957 0.28799 0.68612 0.37433
|
|
132 15D-2 0.31786 0.04933 -0.28945 0.22376 -0.02964
|
|
133 16F 0 0.00386 -0.03073 0.00588 -0.00284 -0.00913
|
|
134 16F+1 0.00290 0.00432 -0.00299 -0.01074 0.00725
|
|
135 16F-1 -0.01229 -0.00884 -0.01584 0.00220 0.00873
|
|
136 16F+2 -0.01478 -0.02304 0.01858 0.00952 -0.00640
|
|
137 16F-2 0.01575 0.00596 -0.00020 -0.01698 -0.00913
|
|
138 16F+3 0.00813 0.00494 -0.00930 -0.01454 0.03310
|
|
139 16F-3 -0.01034 0.00362 0.00897 0.02276 0.00447
|
|
140 17F 0 -0.08581 -0.01406 0.03467 0.06566 0.07516
|
|
141 17F+1 0.00186 0.01289 0.00853 0.05187 0.00314
|
|
142 17F-1 0.02306 -0.01355 -0.07668 -0.06804 0.00168
|
|
143 17F+2 0.07220 -0.08724 -0.01857 -0.04694 -0.03266
|
|
144 17F-2 -0.06544 -0.02046 0.00491 0.10945 -0.04568
|
|
145 17F+3 0.03841 0.03857 -0.01685 -0.02493 -0.01834
|
|
146 17F-3 0.07043 -0.03014 -0.06888 -0.08783 0.03350
|
|
147 18F 0 -0.06678 0.04865 0.05298 -0.09889 0.15250
|
|
148 18F+1 -0.03275 -0.00740 -0.02673 -0.06502 0.00976
|
|
149 18F-1 -0.07714 0.07254 0.14529 0.04121 0.05132
|
|
150 18F+2 -0.11513 0.07990 0.05063 0.02079 0.02904
|
|
151 18F-2 0.20126 -0.00803 -0.15966 -0.01268 0.01663
|
|
152 18F+3 -0.05625 -0.06509 0.04846 -0.19559 -0.06428
|
|
153 18F-3 -0.03761 0.02282 0.26123 0.24528 0.04464
|
|
154 19G 0 0.01977 -0.01069 -0.02083 -0.02148 -0.00610
|
|
155 19G+1 -0.02388 -0.00303 0.00833 0.01880 0.01184
|
|
156 19G-1 -0.00008 0.02155 -0.00944 0.00507 0.01489
|
|
157 19G+2 -0.00945 -0.00491 -0.01890 0.01935 0.00212
|
|
158 19G-2 -0.00673 0.00891 -0.01575 -0.02160 -0.00451
|
|
159 19G+3 -0.00386 -0.01893 -0.00997 -0.02019 0.00348
|
|
160 19G-3 -0.01080 0.02374 -0.00599 0.00880 -0.00864
|
|
161 19G+4 -0.00007 0.00184 -0.03230 -0.01105 -0.00939
|
|
162 19G-4 0.00563 0.00107 0.00671 -0.00859 -0.02562
|
|
163 20G 0 -0.03216 0.02092 0.02468 0.02657 0.06665
|
|
164 20G+1 0.04449 -0.02673 -0.02890 -0.05828 -0.08571
|
|
165 20G-1 0.00557 -0.02871 -0.01759 -0.08452 -0.00654
|
|
166 20G+2 0.04497 -0.03896 0.02257 -0.04529 -0.08505
|
|
167 20G-2 0.01607 -0.01539 -0.02050 0.03968 0.00974
|
|
168 20G+3 -0.03351 0.03402 -0.02685 -0.04769 0.05431
|
|
169 20G-3 -0.04676 0.00883 0.05375 0.00313 0.00410
|
|
170 20G+4 -0.06825 -0.04932 -0.02760 0.02784 0.00073
|
|
171 20G-4 -0.04603 0.02478 -0.03985 -0.01204 0.03213
|
|
172 21H 0 -0.02968 -0.37847 0.01928 -0.05928 -0.03245
|
|
173 21H+1 -0.02284 -0.07071 0.12874 0.08592 0.07510
|
|
174 21H-1 -0.21392 -0.05529 -0.49514 0.01439 0.04809
|
|
175 21H+2 0.01575 -0.36010 0.10458 -0.03719 -0.02227
|
|
176 21H-2 -0.05281 -0.15095 -0.17620 -0.02487 -0.14943
|
|
177 21H+3 0.08914 -0.11058 0.15840 -0.04891 0.03571
|
|
178 21H-3 -0.02528 -0.11213 -0.19182 0.03509 -0.14071
|
|
179 21H+4 -0.04266 0.02030 0.09195 0.08170 0.15319
|
|
180 21H-4 0.04673 0.05596 0.03389 0.10717 -0.16924
|
|
181 21H+5 -0.03804 0.00432 -0.06285 0.05389 0.19220
|
|
182 21H-5 0.06528 0.07300 0.05220 0.05947 -0.03925
|
|
183 3 H 1S -0.01280 -0.02384 -0.04491 0.10121 0.01301
|
|
184 2S -0.04491 -0.01125 0.12353 -0.12790 -0.09881
|
|
185 3S 1.17536 -0.19666 0.00973 1.61878 0.22730
|
|
186 4S -0.83191 0.54322 0.73454 -0.78760 -0.18042
|
|
187 5S 0.08101 -0.04644 -0.05039 0.05909 0.02871
|
|
188 6PX 0.03710 -0.03468 -0.02460 0.08107 -0.00288
|
|
189 6PY -0.05901 -0.01579 0.03482 -0.00508 0.01409
|
|
190 6PZ 0.01312 -0.01663 -0.03788 0.05885 -0.00018
|
|
191 7PX -0.00678 0.05815 -0.00595 -0.13794 0.02652
|
|
192 7PY -0.02541 0.00310 0.01613 -0.06021 0.01186
|
|
193 7PZ -0.01111 0.03849 -0.00143 -0.07675 0.01599
|
|
194 8PX -0.21305 -0.07375 -0.09905 -0.14104 -0.10002
|
|
195 8PY -0.13699 0.02031 0.22711 -0.14307 -0.01002
|
|
196 8PZ -0.15356 -0.02477 -0.11785 -0.16429 -0.06002
|
|
197 9PX 0.25835 -0.24554 -0.23377 0.38103 0.08298
|
|
198 9PY 0.63487 -0.00896 -0.32236 0.58211 -0.20809
|
|
199 9PZ 0.19971 -0.18790 -0.13678 0.12742 0.05759
|
|
200 10D 0 0.27471 0.12626 -0.13389 0.26048 -0.40374
|
|
201 10D+1 -0.26057 0.09154 0.13492 -0.07628 0.16481
|
|
202 10D-1 -0.26730 -0.06031 0.04551 -0.30665 -0.07428
|
|
203 10D+2 0.28876 0.19738 -0.20440 0.18205 -0.56832
|
|
204 10D-2 -0.28000 0.13819 0.18186 -0.41651 0.01372
|
|
205 11D 0 -0.28989 -0.13532 0.17776 -0.28813 0.40559
|
|
206 11D+1 0.28600 -0.10736 -0.09389 0.12189 -0.14060
|
|
207 11D-1 0.31612 0.06398 -0.11099 0.36320 0.06250
|
|
208 11D+2 -0.33974 -0.19123 0.25680 -0.18781 0.59766
|
|
209 11D-2 0.36852 -0.10733 -0.28617 0.49312 -0.02041
|
|
210 12D 0 0.32799 0.01280 -0.16459 0.41434 -0.15476
|
|
211 12D+1 -0.33820 0.25330 0.10398 -0.31529 -0.10710
|
|
212 12D-1 -0.40244 -0.00074 0.08417 -0.35758 0.09177
|
|
213 12D+2 0.38827 0.19736 -0.18491 0.10590 -0.30987
|
|
214 12D-2 -0.49159 -0.00310 0.20398 -0.68879 0.16378
|
|
215 13F 0 0.21307 -0.07293 -0.03277 0.20782 0.13079
|
|
216 13F+1 -0.00684 0.02552 -0.08132 0.05484 -0.05845
|
|
217 13F-1 0.10440 0.04699 -0.05977 0.10901 -0.01573
|
|
218 13F+2 0.04973 0.09492 -0.06082 -0.01660 -0.10520
|
|
219 13F-2 -0.25770 -0.00433 0.11738 -0.19804 0.07875
|
|
220 13F+3 0.24308 0.03723 -0.09269 0.16854 -0.00617
|
|
221 13F-3 0.00946 -0.07805 0.02310 -0.14895 0.00199
|
|
222 14F 0 -0.29563 0.11849 0.03262 -0.30476 -0.20023
|
|
223 14F+1 0.01299 -0.03658 0.08309 -0.08081 0.08971
|
|
224 14F-1 -0.07335 -0.05821 0.06484 -0.13658 -0.00825
|
|
225 14F+2 -0.03669 -0.14175 0.04158 0.04419 0.17593
|
|
226 14F-2 0.33016 -0.01731 -0.09999 0.28738 -0.10179
|
|
227 14F+3 -0.28627 -0.07074 0.11263 -0.22811 0.00654
|
|
228 14F-3 0.03789 0.05762 -0.00649 0.27039 -0.05846
|
|
229 15G 0 0.21012 -0.08175 0.06897 0.08806 0.20058
|
|
230 15G+1 0.22544 -0.12900 -0.05294 0.26188 0.20423
|
|
231 15G-1 0.09896 0.02244 -0.08553 0.17182 0.02173
|
|
232 15G+2 -0.08939 0.16816 -0.00997 -0.06676 -0.19207
|
|
233 15G-2 -0.05797 0.13233 0.08075 0.02097 0.02851
|
|
234 15G+3 0.15662 0.08938 0.01786 0.13718 -0.14217
|
|
235 15G-3 -0.24410 0.01146 0.02671 -0.21925 -0.03994
|
|
236 15G+4 0.13390 0.11669 -0.15013 0.26175 -0.02583
|
|
237 15G-4 0.00824 0.10445 0.02366 -0.17092 0.05671
|
|
238 4 H 1S -0.01280 -0.02384 -0.04491 -0.10121 -0.01301
|
|
239 2S -0.04491 -0.01125 0.12353 0.12790 0.09881
|
|
240 3S 1.17536 -0.19666 0.00973 -1.61878 -0.22730
|
|
241 4S -0.83191 0.54322 0.73454 0.78760 0.18042
|
|
242 5S 0.08101 -0.04644 -0.05039 -0.05909 -0.02871
|
|
243 6PX -0.03710 0.03468 0.02460 0.08107 -0.00288
|
|
244 6PY 0.05901 0.01579 -0.03482 -0.00508 0.01409
|
|
245 6PZ 0.01312 -0.01663 -0.03788 -0.05885 0.00018
|
|
246 7PX 0.00678 -0.05815 0.00595 -0.13794 0.02652
|
|
247 7PY 0.02541 -0.00310 -0.01613 -0.06021 0.01186
|
|
248 7PZ -0.01111 0.03849 -0.00143 0.07675 -0.01599
|
|
249 8PX 0.21305 0.07375 0.09905 -0.14104 -0.10002
|
|
250 8PY 0.13699 -0.02031 -0.22711 -0.14307 -0.01002
|
|
251 8PZ -0.15356 -0.02477 -0.11785 0.16429 0.06002
|
|
252 9PX -0.25835 0.24554 0.23377 0.38103 0.08298
|
|
253 9PY -0.63487 0.00896 0.32236 0.58211 -0.20809
|
|
254 9PZ 0.19971 -0.18790 -0.13678 -0.12742 -0.05759
|
|
255 10D 0 0.27471 0.12626 -0.13389 -0.26048 0.40374
|
|
256 10D+1 0.26057 -0.09154 -0.13492 -0.07628 0.16481
|
|
257 10D-1 0.26730 0.06031 -0.04551 -0.30665 -0.07428
|
|
258 10D+2 0.28876 0.19738 -0.20440 -0.18205 0.56832
|
|
259 10D-2 -0.28000 0.13819 0.18186 0.41651 -0.01372
|
|
260 11D 0 -0.28989 -0.13532 0.17776 0.28813 -0.40559
|
|
261 11D+1 -0.28600 0.10736 0.09389 0.12189 -0.14060
|
|
262 11D-1 -0.31612 -0.06398 0.11099 0.36320 0.06250
|
|
263 11D+2 -0.33974 -0.19123 0.25680 0.18781 -0.59766
|
|
264 11D-2 0.36852 -0.10733 -0.28617 -0.49312 0.02041
|
|
265 12D 0 0.32799 0.01280 -0.16459 -0.41434 0.15476
|
|
266 12D+1 0.33820 -0.25330 -0.10398 -0.31529 -0.10710
|
|
267 12D-1 0.40244 0.00074 -0.08417 -0.35758 0.09177
|
|
268 12D+2 0.38827 0.19736 -0.18491 -0.10590 0.30987
|
|
269 12D-2 -0.49159 -0.00310 0.20398 0.68879 -0.16378
|
|
270 13F 0 0.21307 -0.07293 -0.03277 -0.20782 -0.13079
|
|
271 13F+1 0.00684 -0.02552 0.08132 0.05484 -0.05845
|
|
272 13F-1 -0.10440 -0.04699 0.05977 0.10901 -0.01573
|
|
273 13F+2 0.04973 0.09492 -0.06082 0.01660 0.10520
|
|
274 13F-2 -0.25770 -0.00433 0.11738 0.19804 -0.07875
|
|
275 13F+3 -0.24308 -0.03723 0.09269 0.16854 -0.00617
|
|
276 13F-3 -0.00946 0.07805 -0.02310 -0.14895 0.00199
|
|
277 14F 0 -0.29563 0.11849 0.03262 0.30476 0.20023
|
|
278 14F+1 -0.01299 0.03658 -0.08309 -0.08081 0.08971
|
|
279 14F-1 0.07335 0.05821 -0.06484 -0.13658 -0.00825
|
|
280 14F+2 -0.03669 -0.14175 0.04158 -0.04419 -0.17593
|
|
281 14F-2 0.33016 -0.01731 -0.09999 -0.28738 0.10179
|
|
282 14F+3 0.28627 0.07074 -0.11263 -0.22811 0.00654
|
|
283 14F-3 -0.03789 -0.05762 0.00649 0.27039 -0.05846
|
|
284 15G 0 0.21012 -0.08175 0.06897 -0.08806 -0.20058
|
|
285 15G+1 -0.22544 0.12900 0.05294 0.26188 0.20423
|
|
286 15G-1 -0.09896 -0.02244 0.08553 0.17182 0.02173
|
|
287 15G+2 -0.08939 0.16816 -0.00997 0.06676 0.19207
|
|
288 15G-2 -0.05797 0.13233 0.08075 -0.02097 -0.02851
|
|
289 15G+3 -0.15662 -0.08938 -0.01786 0.13718 -0.14217
|
|
290 15G-3 0.24410 -0.01146 -0.02671 -0.21925 -0.03994
|
|
291 15G+4 0.13390 0.11669 -0.15013 -0.26175 0.02583
|
|
292 15G-4 0.00824 0.10445 0.02366 0.17092 -0.05671
|
|
206 207 208 209 210
|
|
V V V V V
|
|
Eigenvalues -- 14.23380 14.28599 14.35313 14.45289 14.57343
|
|
1 1 O 1S -0.00339 -0.00015 -0.00069 0.00709 -0.01166
|
|
2 2S 0.01379 -0.00057 0.00712 -0.05589 0.09795
|
|
3 3S 0.00565 0.00351 0.01998 -0.19299 0.36542
|
|
4 4S 0.26288 -0.06947 0.03619 0.10996 -0.42666
|
|
5 5S -0.49595 -0.00043 -0.17084 0.02245 0.01712
|
|
6 6S -0.54705 0.11035 -0.17065 0.10187 0.27961
|
|
7 7PX 0.06594 0.02696 0.02993 -0.00778 0.07377
|
|
8 7PY -0.00171 0.03696 0.00153 0.03830 0.05369
|
|
9 7PZ 0.04374 -0.03187 0.01370 -0.03343 0.03299
|
|
10 8PX 0.01605 -0.04083 -0.01958 -0.03331 -0.05537
|
|
11 8PY 0.05999 -0.06010 0.00796 -0.06044 -0.13137
|
|
12 8PZ 0.01138 0.04328 -0.01296 -0.00221 -0.02101
|
|
13 9PX -0.25263 0.00988 -0.00451 0.02659 0.08050
|
|
14 9PY -0.22328 0.11896 -0.05512 -0.02147 0.46497
|
|
15 9PZ -0.14816 -0.09325 0.00136 0.04533 0.02780
|
|
16 10PX -0.12760 0.21883 -0.24797 0.03396 -0.07375
|
|
17 10PY 0.13688 0.27390 -0.07911 -0.00357 -0.28655
|
|
18 10PZ -0.29961 0.21770 -0.07090 0.07453 0.08412
|
|
19 11PX 0.00430 0.03401 -0.05914 0.00403 0.02369
|
|
20 11PY 0.05028 0.02793 -0.01248 -0.05254 -0.00883
|
|
21 11PZ -0.05372 0.03959 -0.01304 -0.01116 0.01719
|
|
22 12D 0 -0.00961 -0.00157 0.00559 -0.00664 0.01964
|
|
23 12D+1 -0.01094 -0.00089 -0.00424 0.01083 -0.02630
|
|
24 12D-1 -0.00326 -0.00054 -0.00811 0.00782 -0.01258
|
|
25 12D+2 -0.02767 -0.00218 -0.00014 0.00211 0.01567
|
|
26 12D-2 -0.00269 0.00685 0.00066 0.00918 -0.02498
|
|
27 13D 0 0.01372 -0.01972 -0.01386 0.03122 0.01248
|
|
28 13D+1 0.02902 0.00866 0.01413 -0.02319 -0.01106
|
|
29 13D-1 0.03821 0.07634 0.03853 0.02379 0.01352
|
|
30 13D+2 0.04238 -0.00498 0.01017 0.04006 0.01276
|
|
31 13D-2 0.02607 -0.02510 -0.04929 -0.01681 -0.03801
|
|
32 14D 0 -0.13243 0.03646 0.09320 -0.11568 0.01502
|
|
33 14D+1 -0.06491 -0.03374 -0.04168 0.09696 0.09532
|
|
34 14D-1 -0.12335 -0.22435 -0.26068 -0.09475 0.01979
|
|
35 14D+2 -0.27250 0.01991 0.02052 -0.15190 0.09765
|
|
36 14D-2 -0.03230 0.24492 0.13883 0.03816 0.16888
|
|
37 15D 0 0.01937 0.06056 0.06196 -0.02688 -0.12186
|
|
38 15D+1 -0.02198 0.11515 -0.05039 0.00699 0.10543
|
|
39 15D-1 0.00367 -0.06470 -0.06708 -0.06535 -0.04247
|
|
40 15D+2 0.08325 0.12888 -0.06689 -0.09743 -0.10898
|
|
41 15D-2 -0.18794 0.07794 0.07059 -0.01239 0.17811
|
|
42 16F 0 0.00602 -0.00568 -0.00498 -0.00335 0.00889
|
|
43 16F+1 0.00206 -0.00414 -0.00116 -0.01076 0.00991
|
|
44 16F-1 -0.00035 0.00770 0.01453 0.00566 -0.00636
|
|
45 16F+2 0.00504 -0.00847 0.00204 -0.02066 0.01659
|
|
46 16F-2 0.00297 0.00121 0.01219 0.00673 -0.01436
|
|
47 16F+3 0.01225 0.00717 -0.00388 -0.01847 0.03805
|
|
48 16F-3 0.00600 -0.01025 -0.00636 0.00909 -0.01525
|
|
49 17F 0 -0.09132 0.05705 0.07302 -0.10308 0.00493
|
|
50 17F+1 0.00494 0.00588 0.04279 0.00535 0.01071
|
|
51 17F-1 -0.04333 -0.11407 -0.12593 -0.02476 -0.06544
|
|
52 17F+2 0.00097 0.01606 0.03946 0.01336 0.01684
|
|
53 17F-2 -0.02488 -0.02610 -0.08394 0.02085 0.00011
|
|
54 17F+3 -0.10578 -0.01306 -0.00416 -0.09590 0.00707
|
|
55 17F-3 0.03592 0.15431 0.08253 -0.01671 -0.09662
|
|
56 18F 0 -0.10410 0.00394 0.12560 -0.09978 -0.05729
|
|
57 18F+1 -0.03498 0.05281 0.06476 -0.02319 0.06984
|
|
58 18F-1 -0.11825 -0.17950 -0.13516 -0.04595 0.07415
|
|
59 18F+2 0.03179 0.02326 0.00981 -0.13172 0.07298
|
|
60 18F-2 -0.07405 -0.07202 -0.07674 -0.02920 -0.08699
|
|
61 18F+3 -0.14223 -0.01730 -0.00671 -0.15430 0.23621
|
|
62 18F-3 -0.10783 0.12529 0.15476 0.05806 0.13427
|
|
63 19G 0 -0.00047 -0.01938 -0.01153 0.01329 0.00761
|
|
64 19G+1 0.01954 -0.01466 -0.02968 0.02231 -0.02679
|
|
65 19G-1 0.01877 0.01908 0.00386 0.00282 -0.00023
|
|
66 19G+2 -0.02024 -0.01478 -0.01132 -0.01365 0.03596
|
|
67 19G-2 0.02425 0.03625 0.03181 -0.00655 0.00113
|
|
68 19G+3 0.02874 -0.00606 -0.01212 0.00640 -0.03675
|
|
69 19G-3 -0.00199 -0.00731 0.01084 0.02100 0.04500
|
|
70 19G+4 0.01375 0.01960 0.01629 0.04046 0.03677
|
|
71 19G-4 0.01045 -0.02882 -0.02314 -0.01075 0.00651
|
|
72 20G 0 -0.10139 0.02399 0.06536 -0.05719 -0.00169
|
|
73 20G+1 -0.10861 0.07591 0.10562 -0.07493 -0.02645
|
|
74 20G-1 -0.05123 -0.03864 -0.06857 -0.01447 -0.03319
|
|
75 20G+2 0.05120 0.04699 0.09108 -0.00168 0.05851
|
|
76 20G-2 -0.06411 -0.16007 -0.18220 -0.02419 -0.08701
|
|
77 20G+3 0.00377 0.02645 0.04161 -0.08531 -0.00068
|
|
78 20G-3 -0.03078 0.01468 0.01241 0.05666 -0.05488
|
|
79 20G+4 -0.09108 -0.02653 -0.04977 -0.11524 0.06896
|
|
80 20G-4 -0.01057 0.14049 0.13062 0.01023 -0.16235
|
|
81 21H 0 -0.10323 0.06756 0.11908 -0.23656 -0.10081
|
|
82 21H+1 0.17157 -0.11346 -0.09267 0.08279 -0.01103
|
|
83 21H-1 -0.09038 -0.07281 -0.03863 -0.00253 -0.13623
|
|
84 21H+2 -0.07188 -0.00239 0.00330 -0.05926 0.07831
|
|
85 21H-2 -0.00200 0.13599 0.14799 -0.02903 -0.01196
|
|
86 21H+3 -0.05055 -0.10646 -0.06478 -0.21051 -0.15164
|
|
87 21H-3 0.15631 0.05457 0.10158 0.00022 -0.11194
|
|
88 21H+4 0.14776 0.00465 0.00269 0.35212 0.31878
|
|
89 21H-4 -0.11618 -0.02636 -0.06128 0.07770 0.39274
|
|
90 21H+5 -0.06943 0.04308 0.05457 -0.24718 -0.05153
|
|
91 21H-5 0.15469 -0.04466 -0.07793 -0.11349 -0.26945
|
|
92 2 O 1S -0.00339 0.00015 -0.00069 -0.00709 -0.01166
|
|
93 2S 0.01379 0.00057 0.00712 0.05589 0.09795
|
|
94 3S 0.00565 -0.00351 0.01998 0.19299 0.36542
|
|
95 4S 0.26288 0.06947 0.03619 -0.10996 -0.42666
|
|
96 5S -0.49595 0.00043 -0.17084 -0.02245 0.01712
|
|
97 6S -0.54705 -0.11035 -0.17065 -0.10187 0.27961
|
|
98 7PX -0.06594 0.02696 -0.02993 -0.00778 -0.07377
|
|
99 7PY 0.00171 0.03696 -0.00153 0.03830 -0.05369
|
|
100 7PZ 0.04374 0.03187 0.01370 0.03343 0.03299
|
|
101 8PX -0.01605 -0.04083 0.01958 -0.03331 0.05537
|
|
102 8PY -0.05999 -0.06010 -0.00796 -0.06044 0.13137
|
|
103 8PZ 0.01138 -0.04328 -0.01296 0.00221 -0.02101
|
|
104 9PX 0.25263 0.00988 0.00451 0.02659 -0.08050
|
|
105 9PY 0.22328 0.11896 0.05512 -0.02147 -0.46497
|
|
106 9PZ -0.14816 0.09325 0.00136 -0.04533 0.02780
|
|
107 10PX 0.12760 0.21883 0.24797 0.03396 0.07375
|
|
108 10PY -0.13688 0.27390 0.07911 -0.00357 0.28655
|
|
109 10PZ -0.29961 -0.21770 -0.07090 -0.07453 0.08412
|
|
110 11PX -0.00430 0.03401 0.05914 0.00403 -0.02369
|
|
111 11PY -0.05028 0.02793 0.01248 -0.05254 0.00883
|
|
112 11PZ -0.05372 -0.03959 -0.01304 0.01116 0.01719
|
|
113 12D 0 -0.00961 0.00157 0.00559 0.00664 0.01964
|
|
114 12D+1 0.01094 -0.00089 0.00424 0.01083 0.02630
|
|
115 12D-1 0.00326 -0.00054 0.00811 0.00782 0.01258
|
|
116 12D+2 -0.02767 0.00218 -0.00014 -0.00211 0.01567
|
|
117 12D-2 -0.00269 -0.00685 0.00066 -0.00918 -0.02498
|
|
118 13D 0 0.01372 0.01972 -0.01386 -0.03122 0.01248
|
|
119 13D+1 -0.02902 0.00866 -0.01413 -0.02319 0.01106
|
|
120 13D-1 -0.03821 0.07634 -0.03853 0.02379 -0.01352
|
|
121 13D+2 0.04238 0.00498 0.01017 -0.04006 0.01276
|
|
122 13D-2 0.02607 0.02510 -0.04929 0.01681 -0.03801
|
|
123 14D 0 -0.13243 -0.03646 0.09320 0.11568 0.01502
|
|
124 14D+1 0.06491 -0.03374 0.04168 0.09696 -0.09532
|
|
125 14D-1 0.12335 -0.22435 0.26068 -0.09475 -0.01979
|
|
126 14D+2 -0.27250 -0.01991 0.02052 0.15190 0.09765
|
|
127 14D-2 -0.03230 -0.24492 0.13883 -0.03816 0.16888
|
|
128 15D 0 0.01937 -0.06056 0.06196 0.02688 -0.12186
|
|
129 15D+1 0.02198 0.11515 0.05039 0.00699 -0.10543
|
|
130 15D-1 -0.00367 -0.06470 0.06708 -0.06535 0.04247
|
|
131 15D+2 0.08325 -0.12888 -0.06689 0.09743 -0.10898
|
|
132 15D-2 -0.18794 -0.07794 0.07059 0.01239 0.17811
|
|
133 16F 0 0.00602 0.00568 -0.00498 0.00335 0.00889
|
|
134 16F+1 -0.00206 -0.00414 0.00116 -0.01076 -0.00991
|
|
135 16F-1 0.00035 0.00770 -0.01453 0.00566 0.00636
|
|
136 16F+2 0.00504 0.00847 0.00204 0.02066 0.01659
|
|
137 16F-2 0.00297 -0.00121 0.01219 -0.00673 -0.01436
|
|
138 16F+3 -0.01225 0.00717 0.00388 -0.01847 -0.03805
|
|
139 16F-3 -0.00600 -0.01025 0.00636 0.00909 0.01525
|
|
140 17F 0 -0.09132 -0.05705 0.07302 0.10308 0.00493
|
|
141 17F+1 -0.00494 0.00588 -0.04279 0.00535 -0.01071
|
|
142 17F-1 0.04333 -0.11407 0.12593 -0.02476 0.06544
|
|
143 17F+2 0.00097 -0.01606 0.03946 -0.01336 0.01684
|
|
144 17F-2 -0.02488 0.02610 -0.08394 -0.02085 0.00011
|
|
145 17F+3 0.10578 -0.01306 0.00416 -0.09590 -0.00707
|
|
146 17F-3 -0.03592 0.15431 -0.08253 -0.01671 0.09662
|
|
147 18F 0 -0.10410 -0.00394 0.12560 0.09978 -0.05729
|
|
148 18F+1 0.03498 0.05281 -0.06476 -0.02319 -0.06984
|
|
149 18F-1 0.11825 -0.17950 0.13516 -0.04595 -0.07415
|
|
150 18F+2 0.03179 -0.02326 0.00981 0.13172 0.07298
|
|
151 18F-2 -0.07405 0.07202 -0.07674 0.02920 -0.08699
|
|
152 18F+3 0.14223 -0.01730 0.00671 -0.15430 -0.23621
|
|
153 18F-3 0.10783 0.12529 -0.15476 0.05806 -0.13427
|
|
154 19G 0 -0.00047 0.01938 -0.01153 -0.01329 0.00761
|
|
155 19G+1 -0.01954 -0.01466 0.02968 0.02231 0.02679
|
|
156 19G-1 -0.01877 0.01908 -0.00386 0.00282 0.00023
|
|
157 19G+2 -0.02024 0.01478 -0.01132 0.01365 0.03596
|
|
158 19G-2 0.02425 -0.03625 0.03181 0.00655 0.00113
|
|
159 19G+3 -0.02874 -0.00606 0.01212 0.00640 0.03675
|
|
160 19G-3 0.00199 -0.00731 -0.01084 0.02100 -0.04500
|
|
161 19G+4 0.01375 -0.01960 0.01629 -0.04046 0.03677
|
|
162 19G-4 0.01045 0.02882 -0.02314 0.01075 0.00651
|
|
163 20G 0 -0.10139 -0.02399 0.06536 0.05719 -0.00169
|
|
164 20G+1 0.10861 0.07591 -0.10562 -0.07493 0.02645
|
|
165 20G-1 0.05123 -0.03864 0.06857 -0.01447 0.03319
|
|
166 20G+2 0.05120 -0.04699 0.09108 0.00168 0.05851
|
|
167 20G-2 -0.06411 0.16007 -0.18220 0.02419 -0.08701
|
|
168 20G+3 -0.00377 0.02645 -0.04161 -0.08531 0.00068
|
|
169 20G-3 0.03078 0.01468 -0.01241 0.05666 0.05488
|
|
170 20G+4 -0.09108 0.02653 -0.04977 0.11524 0.06896
|
|
171 20G-4 -0.01057 -0.14049 0.13062 -0.01023 -0.16235
|
|
172 21H 0 -0.10323 -0.06756 0.11908 0.23656 -0.10081
|
|
173 21H+1 -0.17157 -0.11346 0.09267 0.08279 0.01103
|
|
174 21H-1 0.09038 -0.07281 0.03863 -0.00253 0.13623
|
|
175 21H+2 -0.07188 0.00239 0.00330 0.05926 0.07831
|
|
176 21H-2 -0.00200 -0.13599 0.14799 0.02903 -0.01196
|
|
177 21H+3 0.05055 -0.10646 0.06478 -0.21051 0.15164
|
|
178 21H-3 -0.15631 0.05457 -0.10158 0.00022 0.11194
|
|
179 21H+4 0.14776 -0.00465 0.00269 -0.35212 0.31878
|
|
180 21H-4 -0.11618 0.02636 -0.06128 -0.07770 0.39274
|
|
181 21H+5 0.06943 0.04308 -0.05457 -0.24718 0.05153
|
|
182 21H-5 -0.15469 -0.04466 0.07793 -0.11349 0.26945
|
|
183 3 H 1S -0.05470 -0.02260 -0.03093 -0.06248 -0.04609
|
|
184 2S 0.00105 0.03402 0.02786 0.18601 -0.03992
|
|
185 3S 0.58881 -0.42019 0.27235 -0.14175 -0.29913
|
|
186 4S 0.47308 -0.00474 0.11677 -0.00581 -0.02174
|
|
187 5S -0.01816 -0.01694 -0.00611 0.00017 -0.02237
|
|
188 6PX -0.02729 -0.01740 -0.02470 0.01056 -0.12935
|
|
189 6PY 0.00200 -0.01330 -0.00010 -0.09519 0.05054
|
|
190 6PZ -0.02279 0.00198 -0.01117 0.00324 -0.08794
|
|
191 7PX 0.03451 0.02751 0.02461 -0.01563 0.17092
|
|
192 7PY 0.00647 0.00836 0.00709 0.01903 0.03391
|
|
193 7PZ 0.02187 0.01416 0.01351 -0.01047 0.11518
|
|
194 8PX -0.37399 0.06036 -0.07917 0.06910 -0.01390
|
|
195 8PY -0.00895 -0.02179 -0.02219 -0.10077 0.07176
|
|
196 8PZ -0.19251 0.06647 -0.11931 0.03836 0.02218
|
|
197 9PX -0.18624 -0.02443 -0.01364 -0.01105 0.02339
|
|
198 9PY -0.18398 -0.09723 0.04736 0.08650 0.00185
|
|
199 9PZ -0.05676 0.01630 -0.04440 0.00488 0.02349
|
|
200 10D 0 -0.33427 0.08568 0.21306 -0.16848 -0.02093
|
|
201 10D+1 0.21678 -0.01183 -0.04867 0.11861 0.13801
|
|
202 10D-1 -0.16982 -0.48725 -0.48640 -0.04510 -0.11468
|
|
203 10D+2 -0.46286 -0.03274 0.09373 -0.19526 0.07273
|
|
204 10D-2 0.07605 0.47469 0.30757 0.08235 -0.12499
|
|
205 11D 0 0.33170 -0.10755 -0.20513 0.17444 0.02721
|
|
206 11D+1 -0.15615 -0.01917 0.07645 -0.16496 -0.13661
|
|
207 11D-1 0.17886 0.50486 0.50225 0.11308 0.05426
|
|
208 11D+2 0.52991 0.02167 -0.09013 0.14648 -0.05580
|
|
209 11D-2 -0.07139 -0.46774 -0.32724 -0.00224 0.03258
|
|
210 12D 0 -0.09598 -0.07244 0.01228 0.04328 -0.01517
|
|
211 12D+1 -0.00196 0.02032 0.01254 0.00310 0.02062
|
|
212 12D-1 0.02763 0.07728 0.01141 -0.00771 0.02918
|
|
213 12D+2 -0.08478 0.00947 0.01293 0.12007 0.03178
|
|
214 12D-2 0.10678 0.15982 -0.10592 -0.01685 0.01111
|
|
215 13F 0 0.14824 -0.06637 -0.09122 0.06360 0.00485
|
|
216 13F+1 -0.02695 -0.03980 -0.05974 0.02411 -0.03842
|
|
217 13F-1 0.03058 0.15921 0.12651 0.04906 0.04709
|
|
218 13F+2 -0.08197 -0.00566 -0.03399 0.09003 -0.06912
|
|
219 13F-2 0.03323 0.09635 0.05634 -0.05074 0.08748
|
|
220 13F+3 0.06017 0.01263 0.01949 0.16285 -0.07635
|
|
221 13F-3 -0.01328 -0.09224 -0.14888 0.00179 0.09989
|
|
222 14F 0 -0.23499 0.15231 0.16811 -0.15489 -0.02099
|
|
223 14F+1 0.04553 0.10285 0.08822 -0.03198 0.03399
|
|
224 14F-1 -0.09882 -0.29063 -0.26541 -0.12157 -0.02437
|
|
225 14F+2 0.11844 0.06319 0.04810 -0.07643 0.08257
|
|
226 14F-2 -0.07002 -0.20209 -0.10915 0.00532 -0.09885
|
|
227 14F+3 -0.14411 -0.02878 -0.03423 -0.25293 0.05025
|
|
228 14F-3 -0.01683 0.15404 0.32040 -0.06498 -0.05535
|
|
229 15G 0 0.19051 -0.14503 -0.07563 0.10019 0.10172
|
|
230 15G+1 0.22023 -0.17673 -0.17622 0.09429 0.03728
|
|
231 15G-1 0.17977 0.11946 0.11714 0.16149 -0.12358
|
|
232 15G+2 -0.15317 -0.19728 -0.13537 0.04671 0.02438
|
|
233 15G-2 0.10391 0.33141 0.31322 0.10761 0.02399
|
|
234 15G+3 -0.10018 -0.11226 -0.03120 0.06506 -0.12644
|
|
235 15G-3 0.04216 0.04231 -0.03059 0.04679 0.01762
|
|
236 15G+4 0.18958 0.07135 0.08448 0.21868 0.06720
|
|
237 15G-4 0.05114 -0.18201 -0.33496 0.18489 -0.06595
|
|
238 4 H 1S -0.05470 0.02260 -0.03093 0.06248 -0.04609
|
|
239 2S 0.00105 -0.03402 0.02786 -0.18601 -0.03992
|
|
240 3S 0.58881 0.42019 0.27235 0.14175 -0.29913
|
|
241 4S 0.47308 0.00474 0.11677 0.00581 -0.02174
|
|
242 5S -0.01816 0.01694 -0.00611 -0.00017 -0.02237
|
|
243 6PX 0.02729 -0.01740 0.02470 0.01056 0.12935
|
|
244 6PY -0.00200 -0.01330 0.00010 -0.09519 -0.05054
|
|
245 6PZ -0.02279 -0.00198 -0.01117 -0.00324 -0.08794
|
|
246 7PX -0.03451 0.02751 -0.02461 -0.01563 -0.17092
|
|
247 7PY -0.00647 0.00836 -0.00709 0.01903 -0.03391
|
|
248 7PZ 0.02187 -0.01416 0.01351 0.01047 0.11518
|
|
249 8PX 0.37399 0.06036 0.07917 0.06910 0.01390
|
|
250 8PY 0.00895 -0.02179 0.02219 -0.10077 -0.07176
|
|
251 8PZ -0.19251 -0.06647 -0.11931 -0.03836 0.02218
|
|
252 9PX 0.18624 -0.02443 0.01364 -0.01105 -0.02339
|
|
253 9PY 0.18398 -0.09723 -0.04736 0.08650 -0.00185
|
|
254 9PZ -0.05676 -0.01630 -0.04440 -0.00488 0.02349
|
|
255 10D 0 -0.33427 -0.08568 0.21306 0.16848 -0.02093
|
|
256 10D+1 -0.21678 -0.01183 0.04867 0.11861 -0.13801
|
|
257 10D-1 0.16982 -0.48725 0.48640 -0.04510 0.11468
|
|
258 10D+2 -0.46286 0.03274 0.09373 0.19526 0.07273
|
|
259 10D-2 0.07605 -0.47469 0.30757 -0.08235 -0.12499
|
|
260 11D 0 0.33170 0.10755 -0.20513 -0.17444 0.02721
|
|
261 11D+1 0.15615 -0.01917 -0.07645 -0.16496 0.13661
|
|
262 11D-1 -0.17886 0.50486 -0.50225 0.11308 -0.05426
|
|
263 11D+2 0.52991 -0.02167 -0.09013 -0.14648 -0.05580
|
|
264 11D-2 -0.07139 0.46774 -0.32724 0.00224 0.03258
|
|
265 12D 0 -0.09598 0.07244 0.01228 -0.04328 -0.01517
|
|
266 12D+1 0.00196 0.02032 -0.01254 0.00310 -0.02062
|
|
267 12D-1 -0.02763 0.07728 -0.01141 -0.00771 -0.02918
|
|
268 12D+2 -0.08478 -0.00947 0.01293 -0.12007 0.03178
|
|
269 12D-2 0.10678 -0.15982 -0.10592 0.01685 0.01111
|
|
270 13F 0 0.14824 0.06637 -0.09122 -0.06360 0.00485
|
|
271 13F+1 0.02695 -0.03980 0.05974 0.02411 0.03842
|
|
272 13F-1 -0.03058 0.15921 -0.12651 0.04906 -0.04709
|
|
273 13F+2 -0.08197 0.00566 -0.03399 -0.09003 -0.06912
|
|
274 13F-2 0.03323 -0.09635 0.05634 0.05074 0.08748
|
|
275 13F+3 -0.06017 0.01263 -0.01949 0.16285 0.07635
|
|
276 13F-3 0.01328 -0.09224 0.14888 0.00179 -0.09989
|
|
277 14F 0 -0.23499 -0.15231 0.16811 0.15489 -0.02099
|
|
278 14F+1 -0.04553 0.10285 -0.08822 -0.03198 -0.03399
|
|
279 14F-1 0.09882 -0.29063 0.26541 -0.12157 0.02437
|
|
280 14F+2 0.11844 -0.06319 0.04810 0.07643 0.08257
|
|
281 14F-2 -0.07002 0.20209 -0.10915 -0.00532 -0.09885
|
|
282 14F+3 0.14411 -0.02878 0.03423 -0.25293 -0.05025
|
|
283 14F-3 0.01683 0.15404 -0.32040 -0.06498 0.05535
|
|
284 15G 0 0.19051 0.14503 -0.07563 -0.10019 0.10172
|
|
285 15G+1 -0.22023 -0.17673 0.17622 0.09429 -0.03728
|
|
286 15G-1 -0.17977 0.11946 -0.11714 0.16149 0.12358
|
|
287 15G+2 -0.15317 0.19728 -0.13537 -0.04671 0.02438
|
|
288 15G-2 0.10391 -0.33141 0.31322 -0.10761 0.02399
|
|
289 15G+3 0.10018 -0.11226 0.03120 0.06506 0.12644
|
|
290 15G-3 -0.04216 0.04231 0.03059 0.04679 -0.01762
|
|
291 15G+4 0.18958 -0.07135 0.08448 -0.21868 0.06720
|
|
292 15G-4 0.05114 0.18201 -0.33496 -0.18489 -0.06595
|
|
211 212 213 214 215
|
|
V V V V V
|
|
Eigenvalues -- 14.60590 14.61946 14.70837 14.99584 15.16174
|
|
1 1 O 1S -0.01703 0.01347 -0.01981 -0.00613 0.00492
|
|
2 2S 0.10900 -0.09288 0.16168 0.02433 -0.02704
|
|
3 3S 0.29187 -0.32162 0.55781 0.07166 -0.07576
|
|
4 4S 0.55380 0.13256 -0.03808 0.07514 -0.33879
|
|
5 5S -2.63549 0.72689 -1.80323 -0.32763 2.04617
|
|
6 6S -1.64598 0.21649 -0.28516 -0.45015 1.31058
|
|
7 7PX 0.27685 -0.10235 0.19766 0.02760 0.05742
|
|
8 7PY 0.04623 0.03656 0.05518 -0.12024 -0.02120
|
|
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|
|
242 5S -0.11456 -0.10968 0.13254 0.03227 0.08824
|
|
243 6PX 0.34294 0.23745 -0.33331 -0.05500 -0.22369
|
|
244 6PY 0.05344 0.00158 -0.05366 0.02278 -0.06097
|
|
245 6PZ -0.25063 -0.16025 0.22225 0.00630 0.13593
|
|
246 7PX -0.37779 -0.25227 0.34213 0.02090 0.13630
|
|
247 7PY -0.07974 -0.05179 0.07478 -0.01490 -0.00208
|
|
248 7PZ 0.25737 0.16540 -0.23447 -0.00636 -0.09284
|
|
249 8PX 1.55268 0.48075 -1.87752 0.15241 -1.02629
|
|
250 8PY 0.50373 -0.25001 -0.70489 0.34330 0.24388
|
|
251 8PZ -1.04059 -0.43301 1.20982 -0.13354 0.81973
|
|
252 9PX 0.50292 0.10429 -0.25919 0.03527 -0.52226
|
|
253 9PY 0.34204 0.03963 -0.12511 0.02435 -0.13236
|
|
254 9PZ -0.18965 -0.12164 0.23535 -0.06630 0.35708
|
|
255 10D 0 0.11090 -0.05651 -0.15308 0.11705 0.17656
|
|
256 10D+1 0.13655 -0.15349 -0.12307 0.05594 0.13288
|
|
257 10D-1 -0.08617 0.07087 0.03472 -0.08188 0.04127
|
|
258 10D+2 0.16408 -0.05693 -0.15509 0.02889 0.15204
|
|
259 10D-2 0.07606 -0.01445 0.05659 -0.04118 -0.14728
|
|
260 11D 0 -0.13188 0.10653 0.22022 -0.13584 -0.26540
|
|
261 11D+1 -0.42355 0.04419 0.46684 -0.08684 0.04701
|
|
262 11D-1 0.01705 0.00373 0.06616 0.03851 -0.04665
|
|
263 11D+2 -0.01540 0.17441 -0.05484 -0.08722 -0.40376
|
|
264 11D-2 0.00562 -0.10346 -0.23052 0.15751 0.22038
|
|
265 12D 0 -0.08202 0.02156 -0.01509 0.05537 -0.02784
|
|
266 12D+1 -0.04935 -0.12436 -0.00072 0.02806 0.25100
|
|
267 12D-1 -0.01026 0.00736 0.02613 -0.00271 0.02557
|
|
268 12D+2 0.05283 0.00840 0.05933 -0.05040 -0.16002
|
|
269 12D-2 0.21975 -0.00909 0.06918 0.02546 -0.01208
|
|
270 13F 0 0.04775 0.00364 -0.06844 -0.00510 -0.01651
|
|
271 13F+1 0.06171 0.04403 -0.02138 -0.00743 -0.01056
|
|
272 13F-1 0.05633 -0.01967 -0.03340 0.02380 -0.05674
|
|
273 13F+2 -0.08100 -0.11875 0.14162 -0.02074 0.04306
|
|
274 13F-2 -0.11568 0.07533 0.13578 -0.05199 -0.04129
|
|
275 13F+3 0.12967 0.05986 -0.08399 -0.06360 -0.05879
|
|
276 13F-3 0.02949 -0.05586 -0.16840 0.04724 -0.02265
|
|
277 14F 0 0.01970 -0.06685 -0.00970 0.00957 0.12397
|
|
278 14F+1 -0.06420 -0.03467 0.01683 -0.01037 -0.04149
|
|
279 14F-1 -0.10299 0.01166 0.04459 -0.02057 -0.05667
|
|
280 14F+2 0.08904 0.05985 -0.15685 -0.01731 0.06414
|
|
281 14F-2 0.14442 -0.07226 -0.18276 0.09647 -0.00355
|
|
282 14F+3 -0.22481 -0.00321 0.14736 -0.06658 -0.15618
|
|
283 14F-3 -0.02764 -0.00685 0.21514 0.01149 0.02611
|
|
284 15G 0 0.05745 0.20214 -0.04131 0.05905 -0.09339
|
|
285 15G+1 -0.03659 -0.05964 0.04476 0.07239 0.10089
|
|
286 15G-1 -0.01864 0.00729 0.03747 -0.21792 0.14156
|
|
287 15G+2 -0.10262 -0.03382 0.10586 0.06396 0.09198
|
|
288 15G-2 -0.17373 0.01893 0.09498 -0.08183 -0.09519
|
|
289 15G+3 0.24060 0.06330 -0.21132 -0.08379 0.10230
|
|
290 15G-3 0.19312 -0.10590 -0.31028 0.05351 -0.03489
|
|
291 15G+4 -0.20815 0.03270 0.10185 -0.18056 -0.07920
|
|
292 15G-4 -0.13782 -0.12576 0.12713 0.00392 -0.11568
|
|
216 217 218 219 220
|
|
V V V V V
|
|
Eigenvalues -- 15.32325 15.58824 15.65952 15.77645 15.81771
|
|
1 1 O 1S 0.00503 -0.00124 0.00533 0.00001 0.00133
|
|
2 2S -0.03651 0.01196 -0.03927 -0.01155 -0.01952
|
|
3 3S -0.13319 0.05131 -0.15078 -0.05300 -0.10627
|
|
4 4S -0.08275 -0.04663 0.01035 -0.00829 0.02552
|
|
5 5S 1.18658 -0.21086 0.70087 0.56010 1.26828
|
|
6 6S 0.44845 -0.14865 0.55942 0.70957 0.45563
|
|
7 7PX -0.12699 -0.05414 -0.24141 0.29809 -0.21575
|
|
8 7PY 0.01351 0.08252 0.10614 -0.12243 0.09100
|
|
9 7PZ 0.16925 0.07361 0.36194 -0.40587 0.34481
|
|
10 8PX 0.12681 0.07426 0.24247 -0.38717 0.14323
|
|
11 8PY -0.01539 -0.12544 -0.08717 0.15811 -0.10822
|
|
12 8PZ -0.29298 -0.07348 -0.46784 0.45512 -0.39652
|
|
13 9PX 0.16488 -0.09692 0.27003 0.16311 0.89370
|
|
14 9PY 0.03593 0.08106 -0.09094 0.03288 0.12108
|
|
15 9PZ 0.52847 -0.09130 0.17066 0.28223 0.04926
|
|
16 10PX 0.48664 0.18188 0.53318 -0.26281 0.99167
|
|
17 10PY 0.28869 -0.02913 -0.36755 0.08557 -0.22073
|
|
18 10PZ -0.18086 -0.22011 -0.55766 0.91768 -0.40615
|
|
19 11PX 0.03239 -0.03822 -0.01534 0.18908 -0.03165
|
|
20 11PY 0.01475 0.00427 -0.04096 -0.03955 0.03623
|
|
21 11PZ 0.05439 -0.01243 0.12442 0.01353 0.08064
|
|
22 12D 0 -0.01294 -0.00081 -0.02645 0.02775 -0.02878
|
|
23 12D+1 0.00594 0.00035 -0.00161 0.01240 -0.01728
|
|
24 12D-1 -0.02480 -0.00030 -0.01463 0.01501 -0.01187
|
|
25 12D+2 0.01285 0.01093 0.00858 -0.01876 0.01591
|
|
26 12D-2 0.00423 0.00422 0.00466 0.00018 -0.02768
|
|
27 13D 0 -0.03987 0.01161 0.02626 -0.03408 0.04909
|
|
28 13D+1 -0.04201 0.01783 -0.00172 -0.02363 0.01981
|
|
29 13D-1 -0.12430 -0.00799 -0.04090 -0.00163 0.03214
|
|
30 13D+2 0.02212 0.01016 -0.00542 -0.00135 -0.05867
|
|
31 13D-2 -0.04808 0.01652 -0.00244 0.00158 -0.04943
|
|
32 14D 0 0.10252 -0.14440 -0.49279 0.68136 -0.81486
|
|
33 14D+1 0.22375 -0.12232 -0.09533 0.43261 -0.09721
|
|
34 14D-1 0.32480 -0.02674 -0.04669 0.21437 -0.25838
|
|
35 14D+2 -0.00490 0.02398 0.35827 -0.29852 0.86846
|
|
36 14D-2 0.25181 -0.05886 -0.02459 0.04175 0.16419
|
|
37 15D 0 0.10779 -0.09749 -0.24397 0.24195 -0.39966
|
|
38 15D+1 0.15089 -0.08341 -0.01391 0.23856 0.02129
|
|
39 15D-1 0.53394 0.01791 0.15105 0.00292 -0.08428
|
|
40 15D+2 -0.03895 -0.01428 0.01943 -0.09008 0.38513
|
|
41 15D-2 0.13874 -0.14596 -0.02329 0.15606 0.09447
|
|
42 16F 0 0.05993 0.01990 0.04079 -0.00026 0.03017
|
|
43 16F+1 0.01645 -0.00515 0.06275 -0.06865 0.07521
|
|
44 16F-1 -0.00285 -0.00622 0.02791 -0.00120 0.02767
|
|
45 16F+2 0.06602 0.01036 0.02099 0.02725 0.00777
|
|
46 16F-2 0.00081 0.02969 0.01729 -0.04186 0.00662
|
|
47 16F+3 -0.00108 -0.02611 0.00639 0.05266 0.03652
|
|
48 16F-3 0.02696 -0.01413 0.01849 0.00555 0.00336
|
|
49 17F 0 0.00075 -0.02376 -0.09658 0.11885 -0.14227
|
|
50 17F+1 0.01952 -0.07106 -0.26311 0.39991 -0.42885
|
|
51 17F-1 0.01304 -0.02737 -0.07307 0.11308 -0.11693
|
|
52 17F+2 0.01414 -0.00118 0.04267 0.03062 0.06348
|
|
53 17F-2 0.02133 -0.03143 -0.07919 0.11747 -0.10700
|
|
54 17F+3 0.04704 0.04841 0.20550 -0.17738 0.25598
|
|
55 17F-3 0.06968 -0.02068 0.04182 -0.01894 0.04037
|
|
56 18F 0 0.30440 -0.01031 0.03858 0.06741 -0.10711
|
|
57 18F+1 0.10145 -0.14557 -0.17609 0.29890 -0.32882
|
|
58 18F-1 -0.02728 -0.00133 0.04095 0.06133 -0.02389
|
|
59 18F+2 0.35421 -0.00158 0.11737 0.04282 0.16779
|
|
60 18F-2 0.10676 0.07429 -0.04964 -0.01947 -0.12950
|
|
61 18F+3 -0.04996 -0.14622 0.13128 0.01224 0.50204
|
|
62 18F-3 0.28050 -0.01239 0.06615 -0.03051 0.08683
|
|
63 19G 0 -0.02779 0.02456 -0.01740 0.05217 -0.04113
|
|
64 19G+1 0.01041 0.02394 0.06240 -0.10443 0.07526
|
|
65 19G-1 -0.05319 -0.01005 -0.03323 0.01717 0.01947
|
|
66 19G+2 -0.02677 0.02405 0.06034 -0.06915 0.06837
|
|
67 19G-2 0.00829 0.04406 0.04479 -0.03578 0.04409
|
|
68 19G+3 -0.02386 0.02326 -0.05629 0.00411 -0.04206
|
|
69 19G-3 -0.04736 0.02169 -0.00218 -0.01262 0.01169
|
|
70 19G+4 0.01964 -0.01412 -0.04658 0.01824 -0.07234
|
|
71 19G-4 -0.01355 -0.00235 -0.00679 -0.00643 -0.06820
|
|
72 20G 0 0.05530 0.09627 0.07574 -0.06907 0.16883
|
|
73 20G+1 0.07499 -0.05543 -0.11159 0.18921 -0.23358
|
|
74 20G-1 -0.14220 -0.05057 -0.10073 0.09926 0.03150
|
|
75 20G+2 0.06044 -0.01894 -0.08229 0.18695 -0.16767
|
|
76 20G-2 -0.02414 0.02846 -0.07162 0.09925 -0.15321
|
|
77 20G+3 0.06103 0.04614 0.06027 -0.00701 0.19273
|
|
78 20G-3 -0.03137 0.02636 -0.07651 0.01318 -0.07767
|
|
79 20G+4 0.07298 -0.03059 0.22719 -0.09871 0.19512
|
|
80 20G-4 0.10159 -0.04413 0.04765 -0.07093 -0.00428
|
|
81 21H 0 -0.16320 0.30286 -0.25534 0.00902 0.10725
|
|
82 21H+1 0.22413 0.27884 -0.02170 0.07472 0.04285
|
|
83 21H-1 0.22643 -0.06272 -0.29886 0.15615 0.17851
|
|
84 21H+2 -0.31656 -0.04111 -0.14879 0.00190 -0.22972
|
|
85 21H-2 -0.03069 -0.17913 -0.11807 0.29825 0.20210
|
|
86 21H+3 0.20163 0.29422 -0.15915 0.18828 0.02590
|
|
87 21H-3 0.04827 0.23441 -0.22757 0.01301 -0.12070
|
|
88 21H+4 -0.13943 -0.00451 -0.01042 0.07773 0.22095
|
|
89 21H-4 0.18167 -0.00790 0.02362 0.06976 0.01954
|
|
90 21H+5 -0.06959 -0.01795 0.23546 -0.31303 -0.23079
|
|
91 21H-5 -0.30037 -0.27812 0.07924 -0.02753 0.10310
|
|
92 2 O 1S -0.00503 -0.00124 -0.00533 0.00001 0.00133
|
|
93 2S 0.03651 0.01196 0.03927 -0.01155 -0.01952
|
|
94 3S 0.13319 0.05131 0.15078 -0.05300 -0.10627
|
|
95 4S 0.08275 -0.04663 -0.01035 -0.00829 0.02552
|
|
96 5S -1.18658 -0.21086 -0.70087 0.56010 1.26828
|
|
97 6S -0.44845 -0.14865 -0.55942 0.70957 0.45563
|
|
98 7PX -0.12699 0.05414 -0.24141 -0.29809 0.21575
|
|
99 7PY 0.01351 -0.08252 0.10614 0.12243 -0.09100
|
|
100 7PZ -0.16925 0.07361 -0.36194 -0.40587 0.34481
|
|
101 8PX 0.12681 -0.07426 0.24247 0.38717 -0.14323
|
|
102 8PY -0.01539 0.12544 -0.08717 -0.15811 0.10822
|
|
103 8PZ 0.29298 -0.07348 0.46784 0.45512 -0.39652
|
|
104 9PX 0.16488 0.09692 0.27003 -0.16311 -0.89370
|
|
105 9PY 0.03593 -0.08106 -0.09094 -0.03288 -0.12108
|
|
106 9PZ -0.52847 -0.09130 -0.17066 0.28223 0.04926
|
|
107 10PX 0.48664 -0.18188 0.53318 0.26281 -0.99167
|
|
108 10PY 0.28869 0.02913 -0.36755 -0.08557 0.22073
|
|
109 10PZ 0.18086 -0.22011 0.55766 0.91768 -0.40615
|
|
110 11PX 0.03239 0.03822 -0.01534 -0.18908 0.03165
|
|
111 11PY 0.01475 -0.00427 -0.04096 0.03955 -0.03623
|
|
112 11PZ -0.05439 -0.01243 -0.12442 0.01353 0.08064
|
|
113 12D 0 0.01294 -0.00081 0.02645 0.02775 -0.02878
|
|
114 12D+1 0.00594 -0.00035 -0.00161 -0.01240 0.01728
|
|
115 12D-1 -0.02480 0.00030 -0.01463 -0.01501 0.01187
|
|
116 12D+2 -0.01285 0.01093 -0.00858 -0.01876 0.01591
|
|
117 12D-2 -0.00423 0.00422 -0.00466 0.00018 -0.02768
|
|
118 13D 0 0.03987 0.01161 -0.02626 -0.03408 0.04909
|
|
119 13D+1 -0.04201 -0.01783 -0.00172 0.02363 -0.01981
|
|
120 13D-1 -0.12430 0.00799 -0.04090 0.00163 -0.03214
|
|
121 13D+2 -0.02212 0.01016 0.00542 -0.00135 -0.05867
|
|
122 13D-2 0.04808 0.01652 0.00244 0.00158 -0.04943
|
|
123 14D 0 -0.10252 -0.14440 0.49279 0.68136 -0.81486
|
|
124 14D+1 0.22375 0.12232 -0.09533 -0.43261 0.09721
|
|
125 14D-1 0.32480 0.02674 -0.04669 -0.21437 0.25838
|
|
126 14D+2 0.00490 0.02398 -0.35827 -0.29852 0.86846
|
|
127 14D-2 -0.25181 -0.05886 0.02459 0.04175 0.16419
|
|
128 15D 0 -0.10779 -0.09749 0.24397 0.24195 -0.39966
|
|
129 15D+1 0.15089 0.08341 -0.01391 -0.23856 -0.02129
|
|
130 15D-1 0.53394 -0.01791 0.15105 -0.00292 0.08428
|
|
131 15D+2 0.03895 -0.01428 -0.01943 -0.09008 0.38513
|
|
132 15D-2 -0.13874 -0.14596 0.02329 0.15606 0.09447
|
|
133 16F 0 -0.05993 0.01990 -0.04079 -0.00026 0.03017
|
|
134 16F+1 0.01645 0.00515 0.06275 0.06865 -0.07521
|
|
135 16F-1 -0.00285 0.00622 0.02791 0.00120 -0.02767
|
|
136 16F+2 -0.06602 0.01036 -0.02099 0.02725 0.00777
|
|
137 16F-2 -0.00081 0.02969 -0.01729 -0.04186 0.00662
|
|
138 16F+3 -0.00108 0.02611 0.00639 -0.05266 -0.03652
|
|
139 16F-3 0.02696 0.01413 0.01849 -0.00555 -0.00336
|
|
140 17F 0 -0.00075 -0.02376 0.09658 0.11885 -0.14227
|
|
141 17F+1 0.01952 0.07106 -0.26311 -0.39991 0.42885
|
|
142 17F-1 0.01304 0.02737 -0.07307 -0.11308 0.11693
|
|
143 17F+2 -0.01414 -0.00118 -0.04267 0.03062 0.06348
|
|
144 17F-2 -0.02133 -0.03143 0.07919 0.11747 -0.10700
|
|
145 17F+3 0.04704 -0.04841 0.20550 0.17738 -0.25598
|
|
146 17F-3 0.06968 0.02068 0.04182 0.01894 -0.04037
|
|
147 18F 0 -0.30440 -0.01031 -0.03858 0.06741 -0.10711
|
|
148 18F+1 0.10145 0.14557 -0.17609 -0.29890 0.32882
|
|
149 18F-1 -0.02728 0.00133 0.04095 -0.06133 0.02389
|
|
150 18F+2 -0.35421 -0.00158 -0.11737 0.04282 0.16779
|
|
151 18F-2 -0.10676 0.07429 0.04964 -0.01947 -0.12950
|
|
152 18F+3 -0.04996 0.14622 0.13128 -0.01224 -0.50204
|
|
153 18F-3 0.28050 0.01239 0.06615 0.03051 -0.08683
|
|
154 19G 0 0.02779 0.02456 0.01740 0.05217 -0.04113
|
|
155 19G+1 0.01041 -0.02394 0.06240 0.10443 -0.07526
|
|
156 19G-1 -0.05319 0.01005 -0.03323 -0.01717 -0.01947
|
|
157 19G+2 0.02677 0.02405 -0.06034 -0.06915 0.06837
|
|
158 19G-2 -0.00829 0.04406 -0.04479 -0.03578 0.04409
|
|
159 19G+3 -0.02386 -0.02326 -0.05629 -0.00411 0.04206
|
|
160 19G-3 -0.04736 -0.02169 -0.00218 0.01262 -0.01169
|
|
161 19G+4 -0.01964 -0.01412 0.04658 0.01824 -0.07234
|
|
162 19G-4 0.01355 -0.00235 0.00679 -0.00643 -0.06820
|
|
163 20G 0 -0.05530 0.09627 -0.07574 -0.06907 0.16883
|
|
164 20G+1 0.07499 0.05543 -0.11159 -0.18921 0.23358
|
|
165 20G-1 -0.14220 0.05057 -0.10073 -0.09926 -0.03150
|
|
166 20G+2 -0.06044 -0.01894 0.08229 0.18695 -0.16767
|
|
167 20G-2 0.02414 0.02846 0.07162 0.09925 -0.15321
|
|
168 20G+3 0.06103 -0.04614 0.06027 0.00701 -0.19273
|
|
169 20G-3 -0.03137 -0.02636 -0.07651 -0.01318 0.07767
|
|
170 20G+4 -0.07298 -0.03059 -0.22719 -0.09871 0.19512
|
|
171 20G-4 -0.10159 -0.04413 -0.04765 -0.07093 -0.00428
|
|
172 21H 0 0.16320 0.30286 0.25534 0.00902 0.10725
|
|
173 21H+1 0.22413 -0.27884 -0.02170 -0.07472 -0.04285
|
|
174 21H-1 0.22643 0.06272 -0.29886 -0.15615 -0.17851
|
|
175 21H+2 0.31656 -0.04111 0.14879 0.00190 -0.22972
|
|
176 21H-2 0.03069 -0.17913 0.11807 0.29825 0.20210
|
|
177 21H+3 0.20163 -0.29422 -0.15915 -0.18828 -0.02590
|
|
178 21H-3 0.04827 -0.23441 -0.22757 -0.01301 0.12070
|
|
179 21H+4 0.13943 -0.00451 0.01042 0.07773 0.22095
|
|
180 21H-4 -0.18167 -0.00790 -0.02362 0.06976 0.01954
|
|
181 21H+5 -0.06959 0.01795 0.23546 0.31303 0.23079
|
|
182 21H-5 -0.30037 0.27812 0.07924 0.02753 -0.10310
|
|
183 3 H 1S 0.14522 -0.03374 0.06550 0.03972 0.12762
|
|
184 2S -0.28635 0.08096 -0.13158 -0.05032 -0.20357
|
|
185 3S -0.79033 0.17005 -0.35624 -0.61196 -1.46252
|
|
186 4S -0.68122 0.18196 -0.39218 -0.75193 -0.29876
|
|
187 5S 0.06421 -0.01249 0.05374 0.04808 -0.01394
|
|
188 6PX 0.11651 -0.02183 -0.03028 0.13620 -0.10743
|
|
189 6PY 0.01945 -0.01331 0.03829 -0.00532 0.15869
|
|
190 6PZ 0.09877 0.00168 0.17092 -0.15858 0.23910
|
|
191 7PX -0.08671 0.00652 0.05142 -0.11234 0.13943
|
|
192 7PY 0.01551 0.00577 -0.00888 0.02750 -0.10089
|
|
193 7PZ -0.05675 -0.01197 -0.12923 0.16460 -0.21460
|
|
194 8PX 0.69894 -0.24668 -0.22964 0.99846 -0.18190
|
|
195 8PY -0.22349 -0.06418 0.25432 0.01263 0.63646
|
|
196 8PZ 0.20947 0.14076 0.87564 -0.78322 1.85446
|
|
197 9PX 0.30923 -0.09157 0.12255 0.35216 0.05584
|
|
198 9PY 0.07142 -0.03664 0.07659 0.13240 0.08560
|
|
199 9PZ 0.13056 0.00166 0.11755 0.06331 0.28736
|
|
200 10D 0 0.08471 0.00613 0.12220 -0.10681 0.17681
|
|
201 10D+1 -0.09525 0.01481 -0.01143 -0.05790 0.10719
|
|
202 10D-1 -0.13715 0.03776 0.03923 -0.03099 -0.00268
|
|
203 10D+2 0.11394 -0.03541 -0.02909 0.10495 -0.00286
|
|
204 10D-2 -0.00401 -0.00873 -0.02684 -0.05617 -0.05898
|
|
205 11D 0 -0.10072 -0.09391 -0.50824 0.57744 -0.80264
|
|
206 11D+1 0.03089 -0.04539 -0.18866 0.22664 -0.51628
|
|
207 11D-1 0.22348 -0.05481 -0.20821 0.11745 -0.28249
|
|
208 11D+2 -0.30091 0.12417 0.19197 -0.47182 0.27240
|
|
209 11D-2 0.00636 0.03573 -0.05589 -0.00277 -0.11885
|
|
210 12D 0 0.10884 -0.06567 -0.14333 0.34512 -0.46419
|
|
211 12D+1 -0.12087 -0.01475 -0.15666 0.06051 -0.33349
|
|
212 12D-1 0.03240 -0.01011 -0.10400 0.09462 -0.25485
|
|
213 12D+2 -0.12202 0.06601 0.10132 -0.21924 0.15135
|
|
214 12D-2 -0.03397 0.06747 -0.06265 -0.11632 -0.11866
|
|
215 13F 0 0.00976 -0.02834 0.10631 -0.09161 0.09604
|
|
216 13F+1 0.02814 0.08567 0.18463 -0.22129 0.30991
|
|
217 13F-1 0.02697 0.03385 0.10386 -0.07996 0.05132
|
|
218 13F+2 0.01780 -0.04719 0.03935 -0.03921 -0.04275
|
|
219 13F-2 -0.03367 -0.03305 0.07470 0.00374 0.14422
|
|
220 13F+3 0.04408 0.00280 -0.09903 0.16749 -0.12381
|
|
221 13F-3 0.04229 0.03924 0.04509 0.04555 0.02511
|
|
222 14F 0 0.03835 -0.04521 0.08515 -0.08211 0.10950
|
|
223 14F+1 0.01404 0.06052 0.15139 -0.26108 0.39805
|
|
224 14F-1 -0.10867 0.05573 0.07012 -0.12515 0.10047
|
|
225 14F+2 0.01075 -0.06217 0.02809 0.01910 0.04620
|
|
226 14F-2 -0.04507 -0.01885 0.07612 -0.06869 0.16877
|
|
227 14F+3 0.10745 -0.03150 -0.08788 0.16515 -0.03875
|
|
228 14F-3 0.06225 -0.01662 -0.01917 0.02384 -0.00098
|
|
229 15G 0 0.08544 0.31944 -0.10604 -0.02706 0.15698
|
|
230 15G+1 -0.16749 -0.03426 -0.16777 0.15150 -0.34386
|
|
231 15G-1 -0.00309 -0.11700 -0.16435 0.22290 0.13668
|
|
232 15G+2 0.03013 0.08059 -0.15157 0.21818 -0.17834
|
|
233 15G-2 0.11556 -0.01522 -0.16154 0.15774 -0.14825
|
|
234 15G+3 0.03163 0.15216 -0.07944 -0.00042 0.11880
|
|
235 15G-3 -0.02583 0.13873 -0.08305 0.02120 -0.13548
|
|
236 15G+4 -0.10020 -0.05558 0.22312 -0.29953 -0.06188
|
|
237 15G-4 -0.13873 -0.20019 0.03311 -0.02403 0.05958
|
|
238 4 H 1S -0.14522 -0.03374 -0.06550 0.03972 0.12762
|
|
239 2S 0.28635 0.08096 0.13158 -0.05032 -0.20357
|
|
240 3S 0.79033 0.17005 0.35624 -0.61196 -1.46252
|
|
241 4S 0.68122 0.18196 0.39218 -0.75193 -0.29876
|
|
242 5S -0.06421 -0.01249 -0.05374 0.04808 -0.01394
|
|
243 6PX 0.11651 0.02183 -0.03028 -0.13620 0.10743
|
|
244 6PY 0.01945 0.01331 0.03829 0.00532 -0.15869
|
|
245 6PZ -0.09877 0.00168 -0.17092 -0.15858 0.23910
|
|
246 7PX -0.08671 -0.00652 0.05142 0.11234 -0.13943
|
|
247 7PY 0.01551 -0.00577 -0.00888 -0.02750 0.10089
|
|
248 7PZ 0.05675 -0.01197 0.12923 0.16460 -0.21460
|
|
249 8PX 0.69894 0.24668 -0.22964 -0.99846 0.18190
|
|
250 8PY -0.22349 0.06418 0.25432 -0.01263 -0.63646
|
|
251 8PZ -0.20947 0.14076 -0.87564 -0.78322 1.85446
|
|
252 9PX 0.30923 0.09157 0.12255 -0.35216 -0.05584
|
|
253 9PY 0.07142 0.03664 0.07659 -0.13240 -0.08560
|
|
254 9PZ -0.13056 0.00166 -0.11755 0.06331 0.28736
|
|
255 10D 0 -0.08471 0.00613 -0.12220 -0.10681 0.17681
|
|
256 10D+1 -0.09525 -0.01481 -0.01143 0.05790 -0.10719
|
|
257 10D-1 -0.13715 -0.03776 0.03923 0.03099 0.00268
|
|
258 10D+2 -0.11394 -0.03541 0.02909 0.10495 -0.00286
|
|
259 10D-2 0.00401 -0.00873 0.02684 -0.05617 -0.05898
|
|
260 11D 0 0.10072 -0.09391 0.50824 0.57744 -0.80264
|
|
261 11D+1 0.03089 0.04539 -0.18866 -0.22664 0.51628
|
|
262 11D-1 0.22348 0.05481 -0.20821 -0.11745 0.28249
|
|
263 11D+2 0.30091 0.12417 -0.19197 -0.47182 0.27240
|
|
264 11D-2 -0.00636 0.03573 0.05589 -0.00277 -0.11885
|
|
265 12D 0 -0.10884 -0.06567 0.14333 0.34512 -0.46419
|
|
266 12D+1 -0.12087 0.01475 -0.15666 -0.06051 0.33349
|
|
267 12D-1 0.03240 0.01011 -0.10400 -0.09462 0.25485
|
|
268 12D+2 0.12202 0.06601 -0.10132 -0.21924 0.15135
|
|
269 12D-2 0.03397 0.06747 0.06265 -0.11632 -0.11866
|
|
270 13F 0 -0.00976 -0.02834 -0.10631 -0.09161 0.09604
|
|
271 13F+1 0.02814 -0.08567 0.18463 0.22129 -0.30991
|
|
272 13F-1 0.02697 -0.03385 0.10386 0.07996 -0.05132
|
|
273 13F+2 -0.01780 -0.04719 -0.03935 -0.03921 -0.04275
|
|
274 13F-2 0.03367 -0.03305 -0.07470 0.00374 0.14422
|
|
275 13F+3 0.04408 -0.00280 -0.09903 -0.16749 0.12381
|
|
276 13F-3 0.04229 -0.03924 0.04509 -0.04555 -0.02511
|
|
277 14F 0 -0.03835 -0.04521 -0.08515 -0.08211 0.10950
|
|
278 14F+1 0.01404 -0.06052 0.15139 0.26108 -0.39805
|
|
279 14F-1 -0.10867 -0.05573 0.07012 0.12515 -0.10047
|
|
280 14F+2 -0.01075 -0.06217 -0.02809 0.01910 0.04620
|
|
281 14F-2 0.04507 -0.01885 -0.07612 -0.06869 0.16877
|
|
282 14F+3 0.10745 0.03150 -0.08788 -0.16515 0.03875
|
|
283 14F-3 0.06225 0.01662 -0.01917 -0.02384 0.00098
|
|
284 15G 0 -0.08544 0.31944 0.10604 -0.02706 0.15698
|
|
285 15G+1 -0.16749 0.03426 -0.16777 -0.15150 0.34386
|
|
286 15G-1 -0.00309 0.11700 -0.16435 -0.22290 -0.13668
|
|
287 15G+2 -0.03013 0.08059 0.15157 0.21818 -0.17834
|
|
288 15G-2 -0.11556 -0.01522 0.16154 0.15774 -0.14825
|
|
289 15G+3 0.03163 -0.15216 -0.07944 0.00042 -0.11880
|
|
290 15G-3 -0.02583 -0.13873 -0.08305 -0.02120 0.13548
|
|
291 15G+4 0.10020 -0.05558 -0.22312 -0.29953 -0.06188
|
|
292 15G-4 0.13873 -0.20019 -0.03311 -0.02403 0.05958
|
|
221 222 223 224 225
|
|
V V V V V
|
|
Eigenvalues -- 15.85869 15.98203 16.13822 16.18684 16.47818
|
|
1 1 O 1S -0.00457 0.00520 0.00038 0.00101 0.00190
|
|
2 2S 0.02179 -0.01277 0.00980 -0.05893 -0.06805
|
|
3 3S 0.08765 -0.03740 0.08914 -0.33720 -0.39985
|
|
4 4S -0.02893 0.19210 0.03016 0.22614 0.39496
|
|
5 5S -0.41151 -1.17677 -2.25963 3.96094 3.35913
|
|
6 6S -0.31871 -0.20295 -0.41078 0.06948 0.65462
|
|
7 7PX -0.24397 -0.06997 -0.01195 0.16891 -0.38092
|
|
8 7PY -0.10279 0.16363 0.10659 -0.59276 0.21243
|
|
9 7PZ 0.35060 0.04405 -0.11606 0.07769 0.70061
|
|
10 8PX 0.23444 0.11964 -0.02760 -0.30956 0.71478
|
|
11 8PY 0.06367 -0.15335 0.24432 0.74509 -0.51581
|
|
12 8PZ -0.31925 0.05043 0.19092 -0.02006 -1.49263
|
|
13 9PX 0.19488 -0.26804 -0.39950 1.21574 -0.03169
|
|
14 9PY 0.15141 -0.22526 -1.83427 0.07390 1.36040
|
|
15 9PZ -0.63652 -0.59089 -0.57114 0.20563 3.27621
|
|
16 10PX 0.82126 -0.74308 -0.19529 1.64258 0.34168
|
|
17 10PY 0.79305 -0.90711 -1.91268 2.48392 0.88634
|
|
18 10PZ -0.76337 -0.83947 -0.21753 0.20153 1.65349
|
|
19 11PX -0.04751 -0.09919 0.01376 0.11272 -0.01958
|
|
20 11PY 0.04425 -0.07613 0.01217 0.13640 0.07705
|
|
21 11PZ 0.13955 -0.00090 -0.01358 -0.03156 0.09288
|
|
22 12D 0 -0.02875 -0.01884 -0.01611 -0.02169 -0.01110
|
|
23 12D+1 -0.01477 -0.00197 0.02568 -0.03825 -0.01386
|
|
24 12D-1 0.01675 0.01282 -0.02656 0.03465 -0.00478
|
|
25 12D+2 0.02819 -0.00670 -0.00317 -0.04047 -0.00822
|
|
26 12D-2 0.01175 -0.00001 -0.03247 0.05087 -0.00674
|
|
27 13D 0 0.06161 0.07145 -0.05105 0.06405 -0.16333
|
|
28 13D+1 0.03520 0.04168 -0.06209 0.10409 -0.00773
|
|
29 13D-1 0.07349 0.05120 0.11179 -0.01489 -0.06341
|
|
30 13D+2 -0.08897 0.05809 -0.19328 0.05386 0.16819
|
|
31 13D-2 -0.01204 -0.02059 0.16685 -0.06563 -0.03264
|
|
32 14D 0 -1.06583 -0.46160 0.24656 -0.85419 1.47022
|
|
33 14D+1 -0.56644 -0.44875 0.02405 -0.21319 1.18901
|
|
34 14D-1 -0.26924 -0.36165 -1.34178 0.74986 0.91436
|
|
35 14D+2 0.68138 -0.08488 0.88925 -0.14006 -0.78456
|
|
36 14D-2 0.29675 -0.19246 -1.95732 1.46241 0.74172
|
|
37 15D 0 -0.36536 -0.33596 0.08864 0.02557 0.84508
|
|
38 15D+1 -0.12777 -0.46256 0.14367 0.30488 0.66957
|
|
39 15D-1 -0.12441 -0.20226 -0.74874 0.60082 0.53307
|
|
40 15D+2 0.50875 -0.42106 0.44891 0.90717 -0.38195
|
|
41 15D-2 0.05584 0.02860 -1.10429 0.49347 0.31662
|
|
42 16F 0 -0.01621 -0.03861 -0.00976 -0.01557 -0.01469
|
|
43 16F+1 0.07375 0.01066 -0.00402 0.01803 -0.00006
|
|
44 16F-1 -0.00673 0.02415 -0.03761 0.01496 0.00379
|
|
45 16F+2 -0.03408 -0.06615 -0.00759 -0.00818 0.00281
|
|
46 16F-2 -0.00126 0.04104 0.06479 -0.06324 -0.00862
|
|
47 16F+3 -0.03024 -0.03894 -0.00081 0.01438 0.03312
|
|
48 16F-3 -0.06628 0.05470 0.00179 -0.04386 -0.03406
|
|
49 17F 0 -0.18636 -0.01001 0.03746 -0.12634 0.07915
|
|
50 17F+1 -0.57354 -0.18631 0.05821 -0.33202 0.54337
|
|
51 17F-1 -0.13921 -0.05015 -0.10262 0.08136 0.18445
|
|
52 17F+2 -0.03746 0.00800 0.26934 -0.24371 0.00885
|
|
53 17F-2 0.00152 -0.12396 -0.63836 0.52297 0.33721
|
|
54 17F+3 0.17597 0.08767 0.35391 -0.19280 -0.28905
|
|
55 17F-3 0.13609 -0.04973 -0.53865 0.56835 0.13565
|
|
56 18F 0 -0.27017 -0.10944 0.08163 -0.07396 0.25064
|
|
57 18F+1 -0.54627 -0.28345 0.08245 -0.35482 0.87566
|
|
58 18F-1 -0.22617 -0.01337 -0.25520 -0.24078 0.27353
|
|
59 18F+2 -0.11414 -0.27064 0.40469 -0.07380 -0.00851
|
|
60 18F-2 -0.09230 -0.00118 -0.88127 0.34672 0.45888
|
|
61 18F+3 0.09104 -0.00414 0.44027 -0.21047 -0.47961
|
|
62 18F-3 -0.02811 0.14418 -0.83058 0.17460 0.12867
|
|
63 19G 0 -0.06859 0.00190 -0.00743 -0.05336 0.02257
|
|
64 19G+1 0.10603 0.03514 -0.01074 0.04146 -0.05711
|
|
65 19G-1 0.07868 0.03747 -0.04314 0.03241 -0.02292
|
|
66 19G+2 0.08045 0.03569 -0.06657 0.08211 -0.05007
|
|
67 19G-2 0.04349 0.01882 0.05550 -0.03447 -0.05957
|
|
68 19G+3 -0.00875 -0.00905 -0.12714 0.10198 0.06349
|
|
69 19G-3 0.00814 0.07089 0.13858 -0.13495 -0.03671
|
|
70 19G+4 -0.04347 0.00834 -0.10338 0.09704 0.04985
|
|
71 19G-4 -0.02607 -0.01755 0.06762 -0.07615 -0.01083
|
|
72 20G 0 0.10746 0.14252 -0.04001 0.08558 -0.16935
|
|
73 20G+1 -0.37360 -0.11614 0.00377 -0.17794 0.32686
|
|
74 20G-1 0.00521 -0.00474 0.09377 -0.12674 0.03004
|
|
75 20G+2 -0.33997 -0.05544 0.11873 -0.30328 0.25280
|
|
76 20G-2 -0.14783 -0.05486 -0.25338 0.08758 0.23817
|
|
77 20G+3 0.02357 -0.00536 0.40148 -0.31364 -0.15491
|
|
78 20G-3 0.02823 0.10547 -0.54236 0.33814 0.16329
|
|
79 20G+4 -0.04852 0.09613 0.29995 -0.26527 -0.20647
|
|
80 20G-4 0.10072 -0.01949 -0.28882 0.28006 -0.00589
|
|
81 21H 0 0.27483 0.35545 -0.00596 0.08674 -0.04234
|
|
82 21H+1 -0.04635 0.12889 -0.02527 0.02285 -0.01758
|
|
83 21H-1 0.25790 -0.24730 0.15389 -0.02338 0.01416
|
|
84 21H+2 -0.12395 0.17178 -0.01736 -0.05363 0.01613
|
|
85 21H-2 0.03433 -0.22274 0.08268 -0.02299 0.04271
|
|
86 21H+3 -0.01826 -0.02931 0.12272 -0.08827 0.02394
|
|
87 21H-3 0.03217 0.06692 -0.11234 0.03441 0.03672
|
|
88 21H+4 0.05912 0.04603 0.19776 -0.13718 0.00703
|
|
89 21H-4 -0.06185 0.13900 -0.13783 0.12514 -0.02711
|
|
90 21H+5 -0.09697 0.00342 0.06756 -0.06548 -0.01010
|
|
91 21H-5 0.15611 -0.35208 -0.03966 -0.00153 -0.00798
|
|
92 2 O 1S 0.00457 -0.00520 -0.00038 0.00101 0.00190
|
|
93 2S -0.02179 0.01277 -0.00980 -0.05893 -0.06805
|
|
94 3S -0.08765 0.03740 -0.08914 -0.33720 -0.39985
|
|
95 4S 0.02893 -0.19210 -0.03016 0.22614 0.39496
|
|
96 5S 0.41151 1.17677 2.25963 3.96094 3.35913
|
|
97 6S 0.31871 0.20295 0.41078 0.06948 0.65462
|
|
98 7PX -0.24397 -0.06997 -0.01195 -0.16891 0.38092
|
|
99 7PY -0.10279 0.16363 0.10659 0.59276 -0.21243
|
|
100 7PZ -0.35060 -0.04405 0.11606 0.07769 0.70061
|
|
101 8PX 0.23444 0.11964 -0.02760 0.30956 -0.71478
|
|
102 8PY 0.06367 -0.15335 0.24432 -0.74509 0.51581
|
|
103 8PZ 0.31925 -0.05043 -0.19092 -0.02006 -1.49263
|
|
104 9PX 0.19488 -0.26804 -0.39950 -1.21574 0.03169
|
|
105 9PY 0.15141 -0.22526 -1.83427 -0.07390 -1.36040
|
|
106 9PZ 0.63652 0.59089 0.57114 0.20563 3.27621
|
|
107 10PX 0.82126 -0.74308 -0.19529 -1.64258 -0.34168
|
|
108 10PY 0.79305 -0.90711 -1.91268 -2.48392 -0.88634
|
|
109 10PZ 0.76337 0.83947 0.21753 0.20153 1.65349
|
|
110 11PX -0.04751 -0.09919 0.01376 -0.11272 0.01958
|
|
111 11PY 0.04425 -0.07613 0.01217 -0.13640 -0.07705
|
|
112 11PZ -0.13955 0.00090 0.01358 -0.03156 0.09288
|
|
113 12D 0 0.02875 0.01884 0.01611 -0.02169 -0.01110
|
|
114 12D+1 -0.01477 -0.00197 0.02568 0.03825 0.01386
|
|
115 12D-1 0.01675 0.01282 -0.02656 -0.03465 0.00478
|
|
116 12D+2 -0.02819 0.00670 0.00317 -0.04047 -0.00822
|
|
117 12D-2 -0.01175 0.00001 0.03247 0.05087 -0.00674
|
|
118 13D 0 -0.06161 -0.07145 0.05105 0.06405 -0.16333
|
|
119 13D+1 0.03520 0.04168 -0.06209 -0.10409 0.00773
|
|
120 13D-1 0.07349 0.05120 0.11179 0.01489 0.06341
|
|
121 13D+2 0.08897 -0.05809 0.19328 0.05386 0.16819
|
|
122 13D-2 0.01204 0.02059 -0.16685 -0.06563 -0.03264
|
|
123 14D 0 1.06583 0.46160 -0.24656 -0.85419 1.47022
|
|
124 14D+1 -0.56644 -0.44875 0.02405 0.21319 -1.18901
|
|
125 14D-1 -0.26924 -0.36165 -1.34178 -0.74986 -0.91436
|
|
126 14D+2 -0.68138 0.08488 -0.88925 -0.14006 -0.78456
|
|
127 14D-2 -0.29675 0.19246 1.95732 1.46241 0.74172
|
|
128 15D 0 0.36536 0.33596 -0.08864 0.02557 0.84508
|
|
129 15D+1 -0.12777 -0.46256 0.14367 -0.30488 -0.66957
|
|
130 15D-1 -0.12441 -0.20226 -0.74874 -0.60082 -0.53307
|
|
131 15D+2 -0.50875 0.42106 -0.44891 0.90717 -0.38195
|
|
132 15D-2 -0.05584 -0.02860 1.10429 0.49347 0.31662
|
|
133 16F 0 0.01621 0.03861 0.00976 -0.01557 -0.01469
|
|
134 16F+1 0.07375 0.01066 -0.00402 -0.01803 0.00006
|
|
135 16F-1 -0.00673 0.02415 -0.03761 -0.01496 -0.00379
|
|
136 16F+2 0.03408 0.06615 0.00759 -0.00818 0.00281
|
|
137 16F-2 0.00126 -0.04104 -0.06479 -0.06324 -0.00862
|
|
138 16F+3 -0.03024 -0.03894 -0.00081 -0.01438 -0.03312
|
|
139 16F-3 -0.06628 0.05470 0.00179 0.04386 0.03406
|
|
140 17F 0 0.18636 0.01001 -0.03746 -0.12634 0.07915
|
|
141 17F+1 -0.57354 -0.18631 0.05821 0.33202 -0.54337
|
|
142 17F-1 -0.13921 -0.05015 -0.10262 -0.08136 -0.18445
|
|
143 17F+2 0.03746 -0.00800 -0.26934 -0.24371 0.00885
|
|
144 17F-2 -0.00152 0.12396 0.63836 0.52297 0.33721
|
|
145 17F+3 0.17597 0.08767 0.35391 0.19280 0.28905
|
|
146 17F-3 0.13609 -0.04973 -0.53865 -0.56835 -0.13565
|
|
147 18F 0 0.27017 0.10944 -0.08163 -0.07396 0.25064
|
|
148 18F+1 -0.54627 -0.28345 0.08245 0.35482 -0.87566
|
|
149 18F-1 -0.22617 -0.01337 -0.25520 0.24078 -0.27353
|
|
150 18F+2 0.11414 0.27064 -0.40469 -0.07380 -0.00851
|
|
151 18F-2 0.09230 0.00118 0.88127 0.34672 0.45888
|
|
152 18F+3 0.09104 -0.00414 0.44027 0.21047 0.47961
|
|
153 18F-3 -0.02811 0.14418 -0.83058 -0.17460 -0.12867
|
|
154 19G 0 0.06859 -0.00190 0.00743 -0.05336 0.02257
|
|
155 19G+1 0.10603 0.03514 -0.01074 -0.04146 0.05711
|
|
156 19G-1 0.07868 0.03747 -0.04314 -0.03241 0.02292
|
|
157 19G+2 -0.08045 -0.03569 0.06657 0.08211 -0.05007
|
|
158 19G-2 -0.04349 -0.01882 -0.05550 -0.03447 -0.05957
|
|
159 19G+3 -0.00875 -0.00905 -0.12714 -0.10198 -0.06349
|
|
160 19G-3 0.00814 0.07089 0.13858 0.13495 0.03671
|
|
161 19G+4 0.04347 -0.00834 0.10338 0.09704 0.04985
|
|
162 19G-4 0.02607 0.01755 -0.06762 -0.07615 -0.01083
|
|
163 20G 0 -0.10746 -0.14252 0.04001 0.08558 -0.16935
|
|
164 20G+1 -0.37360 -0.11614 0.00377 0.17794 -0.32686
|
|
165 20G-1 0.00521 -0.00474 0.09377 0.12674 -0.03004
|
|
166 20G+2 0.33997 0.05544 -0.11873 -0.30328 0.25280
|
|
167 20G-2 0.14783 0.05486 0.25338 0.08758 0.23817
|
|
168 20G+3 0.02357 -0.00536 0.40148 0.31364 0.15491
|
|
169 20G-3 0.02823 0.10547 -0.54236 -0.33814 -0.16329
|
|
170 20G+4 0.04852 -0.09613 -0.29995 -0.26527 -0.20647
|
|
171 20G-4 -0.10072 0.01949 0.28882 0.28006 -0.00589
|
|
172 21H 0 -0.27483 -0.35545 0.00596 0.08674 -0.04234
|
|
173 21H+1 -0.04635 0.12889 -0.02527 -0.02285 0.01758
|
|
174 21H-1 0.25790 -0.24730 0.15389 0.02338 -0.01416
|
|
175 21H+2 0.12395 -0.17178 0.01736 -0.05363 0.01613
|
|
176 21H-2 -0.03433 0.22274 -0.08268 -0.02299 0.04271
|
|
177 21H+3 -0.01826 -0.02931 0.12272 0.08827 -0.02394
|
|
178 21H-3 0.03217 0.06692 -0.11234 -0.03441 -0.03672
|
|
179 21H+4 -0.05912 -0.04603 -0.19776 -0.13718 0.00703
|
|
180 21H-4 0.06185 -0.13900 0.13783 0.12514 -0.02711
|
|
181 21H+5 -0.09697 0.00342 0.06756 0.06548 0.01010
|
|
182 21H-5 0.15611 -0.35208 -0.03966 0.00153 0.00798
|
|
183 3 H 1S -0.05560 -0.07932 -0.06139 0.07754 0.13569
|
|
184 2S 0.16677 0.06375 -0.14515 0.42770 0.21806
|
|
185 3S -0.21710 1.99513 1.64175 -3.75773 -3.76793
|
|
186 4S -0.12136 0.53215 0.68750 -0.25307 -0.53746
|
|
187 5S 0.02319 0.01367 -0.05220 -0.03379 -0.02304
|
|
188 6PX -0.23684 -0.07225 -0.12358 -0.05883 0.27974
|
|
189 6PY -0.09777 -0.05237 0.48875 -0.14281 -0.04989
|
|
190 6PZ 0.25594 0.10891 0.00507 0.14494 -0.24875
|
|
191 7PX 0.22422 0.05494 0.22724 -0.14180 -0.50118
|
|
192 7PY 0.07576 -0.01738 -0.57454 0.17006 0.15167
|
|
193 7PZ -0.26818 -0.12994 0.05742 -0.31826 0.35633
|
|
194 8PX -1.17699 -1.27179 -1.76774 1.53187 4.09384
|
|
195 8PY -0.19474 -0.14356 3.62113 -1.85333 -0.92395
|
|
196 8PZ 1.69285 0.12950 -0.85928 2.25705 -1.07131
|
|
197 9PX -0.04707 -0.30474 -0.60431 0.34692 0.82537
|
|
198 9PY 0.00929 -0.12077 0.46698 -0.57353 -0.20152
|
|
199 9PZ 0.19235 -0.11399 -0.29540 0.52279 -0.14925
|
|
200 10D 0 0.15194 0.05209 -0.04782 0.08442 -0.38015
|
|
201 10D+1 0.12334 -0.04229 -0.16042 0.30710 0.04313
|
|
202 10D-1 0.03816 0.13157 0.17479 -0.13808 -0.20872
|
|
203 10D+2 -0.16178 -0.12807 -0.23211 0.15757 0.46711
|
|
204 10D-2 -0.03722 0.13980 0.34352 -0.15306 -0.14029
|
|
205 11D 0 -0.91401 -0.34050 0.11539 -0.47465 1.30422
|
|
206 11D+1 -0.52209 0.06720 0.57981 -0.96217 -0.14513
|
|
207 11D-1 -0.12304 -0.16926 -0.99879 0.61667 0.56661
|
|
208 11D+2 0.62645 0.42735 0.92846 -0.43016 -1.50622
|
|
209 11D-2 0.24152 -0.06580 -1.58315 0.95870 0.29421
|
|
210 12D 0 -0.52597 -0.22343 -0.00772 -0.56796 1.00943
|
|
211 12D+1 -0.23260 -0.02561 0.54184 -0.65843 -0.04770
|
|
212 12D-1 -0.02134 -0.00241 -0.72836 0.29171 0.38723
|
|
213 12D+2 0.38236 0.18830 0.75985 -0.55943 -1.17770
|
|
214 12D-2 0.16087 0.04274 -0.98764 0.72843 0.16172
|
|
215 13F 0 0.07097 0.02283 0.00812 -0.00214 -0.10669
|
|
216 13F+1 0.39059 0.13538 -0.05781 0.19238 -0.20069
|
|
217 13F-1 0.04622 0.07082 0.05156 -0.05468 -0.06768
|
|
218 13F+2 0.01590 -0.04216 -0.20754 0.17811 0.10210
|
|
219 13F-2 0.06047 -0.06770 0.39736 -0.31104 -0.07985
|
|
220 13F+3 -0.11552 -0.04853 -0.24389 0.07417 0.17861
|
|
221 13F-3 -0.11302 -0.02642 0.33173 -0.33371 -0.01759
|
|
222 14F 0 0.10314 0.02161 0.06357 0.02290 -0.34293
|
|
223 14F+1 0.45613 0.14152 -0.09210 0.42994 -0.69025
|
|
224 14F-1 0.05651 0.08090 0.07466 0.06711 -0.20206
|
|
225 14F+2 -0.01296 -0.07240 -0.43549 0.37576 0.30691
|
|
226 14F-2 -0.04394 0.08710 0.58042 -0.32930 -0.29712
|
|
227 14F+3 -0.22717 -0.15366 -0.47629 0.30235 0.63076
|
|
228 14F-3 -0.20140 0.08889 0.48272 -0.29566 0.00024
|
|
229 15G 0 0.22263 0.21237 -0.03828 0.14068 -0.08905
|
|
230 15G+1 -0.29237 -0.05671 -0.02902 -0.11316 0.27789
|
|
231 15G-1 0.08634 -0.17861 0.12841 -0.11952 0.03368
|
|
232 15G+2 -0.29111 0.00779 0.12341 -0.24643 0.15527
|
|
233 15G-2 -0.07670 -0.07229 -0.14585 0.09601 0.15244
|
|
234 15G+3 0.11381 0.12336 0.35875 -0.25708 -0.20161
|
|
235 15G-3 0.05715 0.05355 -0.39910 0.34831 0.10917
|
|
236 15G+4 0.02001 0.11524 0.26379 -0.18291 -0.22826
|
|
237 15G-4 0.22736 -0.20378 -0.20180 0.23530 -0.01434
|
|
238 4 H 1S 0.05560 0.07932 0.06139 0.07754 0.13569
|
|
239 2S -0.16677 -0.06375 0.14515 0.42770 0.21806
|
|
240 3S 0.21710 -1.99513 -1.64175 -3.75773 -3.76793
|
|
241 4S 0.12136 -0.53215 -0.68750 -0.25307 -0.53746
|
|
242 5S -0.02319 -0.01367 0.05220 -0.03379 -0.02304
|
|
243 6PX -0.23684 -0.07225 -0.12358 0.05883 -0.27974
|
|
244 6PY -0.09777 -0.05237 0.48875 0.14281 0.04989
|
|
245 6PZ -0.25594 -0.10891 -0.00507 0.14494 -0.24875
|
|
246 7PX 0.22422 0.05494 0.22724 0.14180 0.50118
|
|
247 7PY 0.07576 -0.01738 -0.57454 -0.17006 -0.15167
|
|
248 7PZ 0.26818 0.12994 -0.05742 -0.31826 0.35633
|
|
249 8PX -1.17699 -1.27179 -1.76774 -1.53187 -4.09384
|
|
250 8PY -0.19474 -0.14356 3.62113 1.85333 0.92395
|
|
251 8PZ -1.69285 -0.12950 0.85928 2.25705 -1.07131
|
|
252 9PX -0.04707 -0.30474 -0.60431 -0.34692 -0.82537
|
|
253 9PY 0.00929 -0.12077 0.46698 0.57353 0.20152
|
|
254 9PZ -0.19235 0.11399 0.29540 0.52279 -0.14925
|
|
255 10D 0 -0.15194 -0.05209 0.04782 0.08442 -0.38015
|
|
256 10D+1 0.12334 -0.04229 -0.16042 -0.30710 -0.04313
|
|
257 10D-1 0.03816 0.13157 0.17479 0.13808 0.20872
|
|
258 10D+2 0.16178 0.12807 0.23211 0.15757 0.46711
|
|
259 10D-2 0.03722 -0.13980 -0.34352 -0.15306 -0.14029
|
|
260 11D 0 0.91401 0.34050 -0.11539 -0.47465 1.30422
|
|
261 11D+1 -0.52209 0.06720 0.57981 0.96217 0.14513
|
|
262 11D-1 -0.12304 -0.16926 -0.99879 -0.61667 -0.56661
|
|
263 11D+2 -0.62645 -0.42735 -0.92846 -0.43016 -1.50622
|
|
264 11D-2 -0.24152 0.06580 1.58315 0.95870 0.29421
|
|
265 12D 0 0.52597 0.22343 0.00772 -0.56796 1.00943
|
|
266 12D+1 -0.23260 -0.02561 0.54184 0.65843 0.04770
|
|
267 12D-1 -0.02134 -0.00241 -0.72836 -0.29171 -0.38723
|
|
268 12D+2 -0.38236 -0.18830 -0.75985 -0.55943 -1.17770
|
|
269 12D-2 -0.16087 -0.04274 0.98764 0.72843 0.16172
|
|
270 13F 0 -0.07097 -0.02283 -0.00812 -0.00214 -0.10669
|
|
271 13F+1 0.39059 0.13538 -0.05781 -0.19238 0.20069
|
|
272 13F-1 0.04622 0.07082 0.05156 0.05468 0.06768
|
|
273 13F+2 -0.01590 0.04216 0.20754 0.17811 0.10210
|
|
274 13F-2 -0.06047 0.06770 -0.39736 -0.31104 -0.07985
|
|
275 13F+3 -0.11552 -0.04853 -0.24389 -0.07417 -0.17861
|
|
276 13F-3 -0.11302 -0.02642 0.33173 0.33371 0.01759
|
|
277 14F 0 -0.10314 -0.02161 -0.06357 0.02290 -0.34293
|
|
278 14F+1 0.45613 0.14152 -0.09210 -0.42994 0.69025
|
|
279 14F-1 0.05651 0.08090 0.07466 -0.06711 0.20206
|
|
280 14F+2 0.01296 0.07240 0.43549 0.37576 0.30691
|
|
281 14F-2 0.04394 -0.08710 -0.58042 -0.32930 -0.29712
|
|
282 14F+3 -0.22717 -0.15366 -0.47629 -0.30235 -0.63076
|
|
283 14F-3 -0.20140 0.08889 0.48272 0.29566 -0.00024
|
|
284 15G 0 -0.22263 -0.21237 0.03828 0.14068 -0.08905
|
|
285 15G+1 -0.29237 -0.05671 -0.02902 0.11316 -0.27789
|
|
286 15G-1 0.08634 -0.17861 0.12841 0.11952 -0.03368
|
|
287 15G+2 0.29111 -0.00779 -0.12341 -0.24643 0.15527
|
|
288 15G-2 0.07670 0.07229 0.14585 0.09601 0.15244
|
|
289 15G+3 0.11381 0.12336 0.35875 0.25708 0.20161
|
|
290 15G-3 0.05715 0.05355 -0.39910 -0.34831 -0.10917
|
|
291 15G+4 -0.02001 -0.11524 -0.26379 -0.18291 -0.22826
|
|
292 15G-4 -0.22736 0.20378 0.20180 0.23530 -0.01434
|
|
226 227 228 229 230
|
|
V V V V V
|
|
Eigenvalues -- 16.51361 16.54693 16.56099 16.70480 16.82901
|
|
1 1 O 1S 0.00328 -0.00292 0.00126 0.00420 0.00182
|
|
2 2S 0.26145 -0.02962 0.25379 0.07059 -0.01707
|
|
3 3S 1.67110 -0.21145 1.60652 0.46761 -0.09237
|
|
4 4S -1.83804 0.27141 -1.96884 -0.24024 0.17087
|
|
5 5S -15.12547 2.01883 -13.13124 -6.37075 0.16389
|
|
6 6S -5.16160 0.90359 -4.88628 -2.25191 -0.10783
|
|
7 7PX -0.41336 -0.44929 -0.36714 -0.07273 0.02373
|
|
8 7PY 0.00592 -0.00064 -0.39060 0.76279 0.08740
|
|
9 7PZ -0.09666 0.72263 0.06222 -0.31902 -0.01604
|
|
10 8PX 1.20002 0.85422 1.12249 0.31299 0.01392
|
|
11 8PY 0.04079 0.02865 0.82708 -1.56333 -0.20572
|
|
12 8PZ 0.43941 -1.52209 0.13873 0.77390 -0.05451
|
|
13 9PX -7.62455 -0.56834 -7.18336 -2.53962 -0.16325
|
|
14 9PY -1.23614 -0.04928 -2.53802 2.38921 0.46922
|
|
15 9PZ -4.51978 3.01287 -3.87295 -2.62787 0.49971
|
|
16 10PX -5.32939 0.43366 -4.85154 -2.44728 -0.05416
|
|
17 10PY -0.28840 0.14331 -0.70570 0.32765 -0.00206
|
|
18 10PZ -3.32984 1.77925 -3.04327 -2.17445 -0.15003
|
|
19 11PX -0.51969 0.09851 -0.43231 -0.29691 -0.03796
|
|
20 11PY -0.07678 0.04057 -0.01200 -0.03498 0.00176
|
|
21 11PZ -0.29655 0.16300 -0.31134 -0.22189 0.00109
|
|
22 12D 0 -0.01558 -0.01140 -0.01893 -0.01077 0.01258
|
|
23 12D+1 0.07626 -0.01565 0.05617 0.02885 0.00663
|
|
24 12D-1 0.02315 0.01568 0.02585 -0.00513 0.00431
|
|
25 12D+2 0.03948 -0.00293 0.03284 0.00632 -0.01498
|
|
26 12D-2 0.02845 -0.00485 0.03181 0.02400 0.00051
|
|
27 13D 0 -0.01297 -0.18774 -0.03056 0.06977 0.02723
|
|
28 13D+1 -0.30612 -0.03847 -0.29628 -0.02059 0.02015
|
|
29 13D-1 -0.09226 0.02785 -0.04168 -0.10725 0.00472
|
|
30 13D+2 -0.17951 0.09682 -0.19946 -0.01118 -0.00638
|
|
31 13D-2 -0.11624 0.05924 -0.08747 -0.15586 -0.00748
|
|
32 14D 0 0.46597 1.65427 0.49717 -0.55179 0.32165
|
|
33 14D+1 -2.57608 1.20838 -2.32953 -1.57614 0.15637
|
|
34 14D-1 -0.31447 0.09448 -0.62506 0.72550 0.24569
|
|
35 14D+2 -2.14834 -0.45827 -2.00495 -1.01888 -0.27491
|
|
36 14D-2 -0.63194 -0.37386 -0.92441 1.19997 0.21982
|
|
37 15D 0 0.36390 0.89214 0.49513 -0.47133 -0.12803
|
|
38 15D+1 -1.36312 0.77727 -1.05678 -1.13157 -0.11556
|
|
39 15D-1 -0.08439 0.01383 -0.25255 0.28252 -0.00696
|
|
40 15D+2 -0.95748 -0.12847 -0.55222 -0.98149 -0.02572
|
|
41 15D-2 -0.26684 -0.28149 -0.53622 0.46240 0.06667
|
|
42 16F 0 -0.03073 -0.03366 -0.03333 -0.01300 -0.03293
|
|
43 16F+1 0.01701 -0.01547 0.02044 0.02478 -0.09176
|
|
44 16F-1 0.02423 -0.00673 0.02085 -0.04085 -0.02728
|
|
45 16F+2 0.04330 -0.06551 0.04156 0.03982 0.01256
|
|
46 16F-2 0.00886 0.04491 0.01592 -0.01102 -0.04799
|
|
47 16F+3 0.03088 -0.01315 0.05657 0.00010 0.06569
|
|
48 16F-3 0.02051 -0.03104 0.02862 -0.01360 0.00649
|
|
49 17F 0 0.31143 0.12541 0.30458 0.03357 0.07144
|
|
50 17F+1 -0.09319 0.59278 -0.05678 -0.29488 0.24911
|
|
51 17F-1 0.01175 0.12520 0.01961 0.00278 0.07619
|
|
52 17F+2 -0.50957 0.14998 -0.46932 -0.34842 -0.03058
|
|
53 17F-2 -0.10851 0.00551 -0.16958 0.31541 0.13730
|
|
54 17F+3 -0.35067 -0.11414 -0.30580 -0.24741 -0.16192
|
|
55 17F-3 -0.11153 -0.16885 -0.17633 0.31426 0.03492
|
|
56 18F 0 0.26452 0.11211 0.33024 0.01593 -0.00870
|
|
57 18F+1 0.02751 0.91924 0.13878 -0.50343 -0.05266
|
|
58 18F-1 0.00437 0.15175 -0.11616 0.08577 0.02448
|
|
59 18F+2 -0.36982 0.05525 -0.19938 -0.54536 -0.06462
|
|
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|
|
292 15G-4 -0.15117 0.07705 0.07557 0.22655 0.01207
|
|
231 232 233 234 235
|
|
V V V V V
|
|
Eigenvalues -- 16.83978 16.95018 16.98518 17.39062 17.50497
|
|
1 1 O 1S 0.00012 -0.00375 0.00280 -0.00259 0.00027
|
|
2 2S 0.00009 0.08769 0.03698 0.04396 -0.00597
|
|
3 3S -0.00113 0.53145 0.27572 0.31402 0.00269
|
|
4 4S 0.01068 -0.92140 -0.48909 -1.49614 -0.36652
|
|
5 5S 0.02219 -2.40928 -1.99021 3.25522 1.21164
|
|
6 6S 0.14288 -0.73972 -1.30763 1.70884 0.84690
|
|
7 7PX 0.01356 0.09896 -0.12912 0.14352 0.03218
|
|
8 7PY 0.07803 -0.39016 0.00559 -0.60752 0.00227
|
|
9 7PZ -0.06211 -0.17118 0.13220 0.19754 0.08590
|
|
10 8PX 0.01985 -0.10894 0.29282 -0.37073 -0.13966
|
|
11 8PY -0.14463 0.82837 0.01957 1.15976 -0.04213
|
|
12 8PZ 0.04655 0.34831 -0.18836 -0.43486 -0.25048
|
|
13 9PX -0.20236 -1.08812 -1.38253 0.72211 0.37072
|
|
14 9PY 0.18822 -1.60778 -0.39599 -1.29604 0.10161
|
|
15 9PZ 0.26815 -1.13749 -0.53290 0.68273 0.51332
|
|
16 10PX 0.19191 -0.89123 -1.01873 1.02613 0.74163
|
|
17 10PY 0.14911 -0.42128 0.81609 -1.30580 0.15597
|
|
18 10PZ -0.21614 -1.01059 -0.58459 0.65951 0.68650
|
|
19 11PX 0.00565 -0.10375 -0.16367 0.10131 0.14169
|
|
20 11PY -0.00346 -0.09171 0.06629 -0.17299 0.02610
|
|
21 11PZ 0.00371 -0.09416 -0.10929 0.08736 0.09690
|
|
22 12D 0 0.01133 0.03147 -0.02699 0.01953 0.00295
|
|
23 12D+1 0.00622 0.01378 0.00432 -0.01434 0.01465
|
|
24 12D-1 -0.00021 -0.01321 0.00280 0.03623 0.00458
|
|
25 12D+2 -0.01032 0.03012 -0.00035 0.05100 -0.00562
|
|
26 12D-2 -0.00350 0.00711 -0.00475 0.05601 0.00703
|
|
27 13D 0 0.03951 0.04945 -0.00404 0.05277 -0.03901
|
|
28 13D+1 0.02648 -0.05049 -0.05267 -0.04479 -0.07031
|
|
29 13D-1 -0.00281 -0.04343 -0.05090 -0.00045 0.03949
|
|
30 13D+2 -0.00861 -0.02666 -0.01389 0.02843 0.00138
|
|
31 13D-2 -0.03103 -0.01843 -0.12102 -0.02111 -0.08924
|
|
32 14D 0 0.23249 -0.07039 0.03748 -0.18836 0.18461
|
|
33 14D+1 0.09551 -0.44679 -0.47261 0.37136 0.42693
|
|
34 14D-1 0.08520 -0.36882 0.00290 -0.06722 -0.16217
|
|
35 14D+2 -0.14704 -0.23670 -0.37210 0.06639 0.12965
|
|
36 14D-2 0.06204 -0.68553 0.18809 -0.09673 0.34403
|
|
37 15D 0 -0.24217 -0.22739 0.21555 -0.23310 0.13373
|
|
38 15D+1 -0.11698 -0.35660 -0.12943 0.41575 0.41203
|
|
39 15D-1 0.05530 0.10601 0.37930 -0.13014 0.01539
|
|
40 15D+2 0.05014 -0.16586 -0.12069 -0.12518 0.15270
|
|
41 15D-2 0.14111 0.03515 0.43885 -0.25727 0.07496
|
|
42 16F 0 -0.02890 0.03134 -0.02580 -0.00285 0.03900
|
|
43 16F+1 -0.10106 -0.04282 0.02640 0.03067 0.12248
|
|
44 16F-1 -0.04361 0.03554 0.03626 0.18164 -0.21537
|
|
45 16F+2 -0.02144 0.01682 -0.03163 -0.05535 0.10845
|
|
46 16F-2 -0.00124 0.05333 0.07805 0.06706 -0.00949
|
|
47 16F+3 0.03077 -0.03217 0.02143 0.20313 -0.07347
|
|
48 16F-3 0.05479 0.10050 0.09816 0.16098 0.24690
|
|
49 17F 0 0.06932 0.05751 0.03922 -0.01018 -0.02690
|
|
50 17F+1 0.22569 0.04095 -0.07476 -0.01638 0.04872
|
|
51 17F-1 0.05287 -0.03170 -0.00660 -0.02123 0.01251
|
|
52 17F+2 0.01661 -0.01518 -0.05871 0.08139 0.03920
|
|
53 17F-2 0.02522 -0.23525 -0.02728 0.04516 0.02107
|
|
54 17F+3 -0.08501 0.06829 -0.02079 0.02099 0.00420
|
|
55 17F-3 -0.04629 -0.19911 -0.01898 -0.01165 0.02377
|
|
56 18F 0 -0.03530 0.11405 0.14932 -0.04172 0.03658
|
|
57 18F+1 -0.12100 -0.12455 0.07794 0.06683 0.27248
|
|
58 18F-1 -0.00025 0.07402 0.01424 0.32278 -0.22155
|
|
59 18F+2 -0.02981 0.12173 -0.06509 0.11807 0.24766
|
|
60 18F-2 0.06876 -0.03569 0.19191 -0.03753 0.00692
|
|
61 18F+3 -0.00336 0.15994 -0.00818 0.25171 -0.09000
|
|
62 18F-3 0.10575 0.10379 0.18120 0.25532 0.33053
|
|
63 19G 0 0.02991 0.03495 -0.03623 0.02164 -0.02654
|
|
64 19G+1 -0.06979 -0.02863 0.00807 0.01163 0.00794
|
|
65 19G-1 -0.01336 -0.06449 -0.03731 0.02712 0.00004
|
|
66 19G+2 -0.06678 -0.03171 -0.01223 0.08868 -0.09263
|
|
67 19G-2 -0.03546 0.00511 -0.01008 -0.06785 0.01139
|
|
68 19G+3 -0.00184 -0.01993 -0.10665 -0.01725 -0.00539
|
|
69 19G-3 0.00393 -0.01075 0.01633 -0.02770 -0.06659
|
|
70 19G+4 0.02038 -0.04952 -0.03202 0.08950 0.07699
|
|
71 19G-4 0.02066 0.01878 -0.06780 -0.05970 -0.06319
|
|
72 20G 0 0.01263 0.03200 0.03709 0.08486 -0.03189
|
|
73 20G+1 -0.00130 0.01630 0.02095 0.02025 0.12387
|
|
74 20G-1 -0.01134 -0.01131 -0.01758 0.09038 -0.15771
|
|
75 20G+2 -0.00152 0.01644 -0.02011 -0.01211 0.28444
|
|
76 20G-2 -0.00054 0.00125 0.04735 0.15401 -0.25672
|
|
77 20G+3 -0.01307 0.06557 -0.02042 0.07335 0.10146
|
|
78 20G-3 0.03944 -0.02224 0.15467 0.18763 0.14766
|
|
79 20G+4 -0.01230 0.10076 -0.00853 0.21827 -0.15845
|
|
80 20G-4 0.03800 0.03688 0.11633 0.08800 0.33500
|
|
81 21H 0 0.21774 -0.00096 -0.01434 0.04294 -0.07562
|
|
82 21H+1 0.02582 0.05587 0.06078 0.12355 0.01483
|
|
83 21H-1 0.00524 -0.03709 -0.04141 -0.02139 0.05361
|
|
84 21H+2 -0.22453 -0.12906 0.02833 0.02994 0.22319
|
|
85 21H-2 -0.13298 -0.03660 0.04723 0.12944 -0.32925
|
|
86 21H+3 -0.13478 -0.14240 -0.11255 -0.11655 0.29053
|
|
87 21H-3 -0.08259 0.13333 0.15129 0.15469 -0.18097
|
|
88 21H+4 0.02531 -0.20549 -0.12936 0.16690 -0.04135
|
|
89 21H-4 0.10424 0.19561 0.31408 0.14346 0.20900
|
|
90 21H+5 0.01172 -0.07373 -0.20001 0.08407 -0.18867
|
|
91 21H-5 0.09688 0.22987 0.10927 0.04621 0.20225
|
|
92 2 O 1S 0.00012 0.00375 0.00280 0.00259 0.00027
|
|
93 2S 0.00009 -0.08769 0.03698 -0.04396 -0.00597
|
|
94 3S -0.00113 -0.53145 0.27572 -0.31402 0.00269
|
|
95 4S 0.01068 0.92140 -0.48909 1.49614 -0.36652
|
|
96 5S 0.02219 2.40928 -1.99021 -3.25522 1.21164
|
|
97 6S 0.14288 0.73972 -1.30763 -1.70884 0.84690
|
|
98 7PX -0.01356 0.09896 0.12912 0.14352 -0.03218
|
|
99 7PY -0.07803 -0.39016 -0.00559 -0.60752 -0.00227
|
|
100 7PZ -0.06211 0.17118 0.13220 -0.19754 0.08590
|
|
101 8PX -0.01985 -0.10894 -0.29282 -0.37073 0.13966
|
|
102 8PY 0.14463 0.82837 -0.01957 1.15976 0.04213
|
|
103 8PZ 0.04655 -0.34831 -0.18836 0.43486 -0.25048
|
|
104 9PX 0.20236 -1.08812 1.38253 0.72211 -0.37072
|
|
105 9PY -0.18822 -1.60778 0.39599 -1.29604 -0.10161
|
|
106 9PZ 0.26815 1.13749 -0.53290 -0.68273 0.51332
|
|
107 10PX -0.19191 -0.89123 1.01873 1.02613 -0.74163
|
|
108 10PY -0.14911 -0.42128 -0.81609 -1.30580 -0.15597
|
|
109 10PZ -0.21614 1.01059 -0.58459 -0.65951 0.68650
|
|
110 11PX -0.00565 -0.10375 0.16367 0.10131 -0.14169
|
|
111 11PY 0.00346 -0.09171 -0.06629 -0.17299 -0.02610
|
|
112 11PZ 0.00371 0.09416 -0.10929 -0.08736 0.09690
|
|
113 12D 0 0.01133 -0.03147 -0.02699 -0.01953 0.00295
|
|
114 12D+1 -0.00622 0.01378 -0.00432 -0.01434 -0.01465
|
|
115 12D-1 0.00021 -0.01321 -0.00280 0.03623 -0.00458
|
|
116 12D+2 -0.01032 -0.03012 -0.00035 -0.05100 -0.00562
|
|
117 12D-2 -0.00350 -0.00711 -0.00475 -0.05601 0.00703
|
|
118 13D 0 0.03951 -0.04945 -0.00404 -0.05277 -0.03901
|
|
119 13D+1 -0.02648 -0.05049 0.05267 -0.04479 0.07031
|
|
120 13D-1 0.00281 -0.04343 0.05090 -0.00045 -0.03949
|
|
121 13D+2 -0.00861 0.02666 -0.01389 -0.02843 0.00138
|
|
122 13D-2 -0.03103 0.01843 -0.12102 0.02111 -0.08924
|
|
123 14D 0 0.23249 0.07039 0.03748 0.18836 0.18461
|
|
124 14D+1 -0.09551 -0.44679 0.47261 0.37136 -0.42693
|
|
125 14D-1 -0.08520 -0.36882 -0.00290 -0.06722 0.16217
|
|
126 14D+2 -0.14704 0.23670 -0.37210 -0.06639 0.12965
|
|
127 14D-2 0.06204 0.68553 0.18809 0.09673 0.34403
|
|
128 15D 0 -0.24217 0.22739 0.21555 0.23310 0.13373
|
|
129 15D+1 0.11698 -0.35660 0.12943 0.41575 -0.41203
|
|
130 15D-1 -0.05530 0.10601 -0.37930 -0.13014 -0.01539
|
|
131 15D+2 0.05014 0.16586 -0.12069 0.12518 0.15270
|
|
132 15D-2 0.14111 -0.03515 0.43885 0.25727 0.07496
|
|
133 16F 0 -0.02890 -0.03134 -0.02580 0.00285 0.03900
|
|
134 16F+1 0.10106 -0.04282 -0.02640 0.03067 -0.12248
|
|
135 16F-1 0.04361 0.03554 -0.03626 0.18164 0.21537
|
|
136 16F+2 -0.02144 -0.01682 -0.03163 0.05535 0.10845
|
|
137 16F-2 -0.00124 -0.05333 0.07805 -0.06706 -0.00949
|
|
138 16F+3 -0.03077 -0.03217 -0.02143 0.20313 0.07347
|
|
139 16F-3 -0.05479 0.10050 -0.09816 0.16098 -0.24690
|
|
140 17F 0 0.06932 -0.05751 0.03922 0.01018 -0.02690
|
|
141 17F+1 -0.22569 0.04095 0.07476 -0.01638 -0.04872
|
|
142 17F-1 -0.05287 -0.03170 0.00660 -0.02123 -0.01251
|
|
143 17F+2 0.01661 0.01518 -0.05871 -0.08139 0.03920
|
|
144 17F-2 0.02522 0.23525 -0.02728 -0.04516 0.02107
|
|
145 17F+3 0.08501 0.06829 0.02079 0.02099 -0.00420
|
|
146 17F-3 0.04629 -0.19911 0.01898 -0.01165 -0.02377
|
|
147 18F 0 -0.03530 -0.11405 0.14932 0.04172 0.03658
|
|
148 18F+1 0.12100 -0.12455 -0.07794 0.06683 -0.27248
|
|
149 18F-1 0.00025 0.07402 -0.01424 0.32278 0.22155
|
|
150 18F+2 -0.02981 -0.12173 -0.06509 -0.11807 0.24766
|
|
151 18F-2 0.06876 0.03569 0.19191 0.03753 0.00692
|
|
152 18F+3 0.00336 0.15994 0.00818 0.25171 0.09000
|
|
153 18F-3 -0.10575 0.10379 -0.18120 0.25532 -0.33053
|
|
154 19G 0 0.02991 -0.03495 -0.03623 -0.02164 -0.02654
|
|
155 19G+1 0.06979 -0.02863 -0.00807 0.01163 -0.00794
|
|
156 19G-1 0.01336 -0.06449 0.03731 0.02712 -0.00004
|
|
157 19G+2 -0.06678 0.03171 -0.01223 -0.08868 -0.09263
|
|
158 19G-2 -0.03546 -0.00511 -0.01008 0.06785 0.01139
|
|
159 19G+3 0.00184 -0.01993 0.10665 -0.01725 0.00539
|
|
160 19G-3 -0.00393 -0.01075 -0.01633 -0.02770 0.06659
|
|
161 19G+4 0.02038 0.04952 -0.03202 -0.08950 0.07699
|
|
162 19G-4 0.02066 -0.01878 -0.06780 0.05970 -0.06319
|
|
163 20G 0 0.01263 -0.03200 0.03709 -0.08486 -0.03189
|
|
164 20G+1 0.00130 0.01630 -0.02095 0.02025 -0.12387
|
|
165 20G-1 0.01134 -0.01131 0.01758 0.09038 0.15771
|
|
166 20G+2 -0.00152 -0.01644 -0.02011 0.01211 0.28444
|
|
167 20G-2 -0.00054 -0.00125 0.04735 -0.15401 -0.25672
|
|
168 20G+3 0.01307 0.06557 0.02042 0.07335 -0.10146
|
|
169 20G-3 -0.03944 -0.02224 -0.15467 0.18763 -0.14766
|
|
170 20G+4 -0.01230 -0.10076 -0.00853 -0.21827 -0.15845
|
|
171 20G-4 0.03800 -0.03688 0.11633 -0.08800 0.33500
|
|
172 21H 0 0.21774 0.00096 -0.01434 -0.04294 -0.07562
|
|
173 21H+1 -0.02582 0.05587 -0.06078 0.12355 -0.01483
|
|
174 21H-1 -0.00524 -0.03709 0.04141 -0.02139 -0.05361
|
|
175 21H+2 -0.22453 0.12906 0.02833 -0.02994 0.22319
|
|
176 21H-2 -0.13298 0.03660 0.04723 -0.12944 -0.32925
|
|
177 21H+3 0.13478 -0.14240 0.11255 -0.11655 -0.29053
|
|
178 21H-3 0.08259 0.13333 -0.15129 0.15469 0.18097
|
|
179 21H+4 0.02531 0.20549 -0.12936 -0.16690 -0.04135
|
|
180 21H-4 0.10424 -0.19561 0.31408 -0.14346 0.20900
|
|
181 21H+5 -0.01172 -0.07373 0.20001 0.08407 0.18867
|
|
182 21H-5 -0.09688 0.22987 -0.10927 0.04621 -0.20225
|
|
183 3 H 1S 0.00305 -0.02844 0.00733 0.10721 0.12458
|
|
184 2S -0.01502 -0.62843 -0.64022 -0.38064 -0.59495
|
|
185 3S -0.04206 3.63725 2.87038 -1.67294 -1.18658
|
|
186 4S -0.13880 0.81585 1.16284 -0.80591 -0.68706
|
|
187 5S 0.00393 0.04245 -0.02563 0.05675 0.02397
|
|
188 6PX -0.41351 -0.17808 0.22943 0.02136 0.03280
|
|
189 6PY -0.20689 -0.48322 -0.81571 0.64428 0.26505
|
|
190 6PZ 0.67909 0.30326 -0.15700 -0.10891 0.08711
|
|
191 7PX 0.39054 0.41471 -0.05389 0.15192 0.24152
|
|
192 7PY 0.20901 0.39828 0.90242 -0.87740 -0.32723
|
|
193 7PZ -0.62864 -0.20191 0.32313 0.27681 0.04979
|
|
194 8PX -0.09514 -2.38496 -1.35862 0.61415 0.61500
|
|
195 8PY -0.32566 -0.10118 -1.50375 1.17199 0.21045
|
|
196 8PZ 0.29009 -0.97876 -1.29020 0.32802 0.06175
|
|
197 9PX 0.02599 -0.59621 -0.53375 0.28026 0.30032
|
|
198 9PY -0.03743 -0.10090 -0.51390 0.33669 0.04509
|
|
199 9PZ 0.12373 -0.31991 -0.38656 0.19555 0.05610
|
|
200 10D 0 -0.48399 -0.11369 0.04697 0.01547 0.05668
|
|
201 10D+1 -0.25288 -0.35183 -0.24978 -0.10504 -0.08585
|
|
202 10D-1 -0.04577 0.28680 0.17675 0.03802 -0.06926
|
|
203 10D+2 0.24040 -0.26098 -0.28145 -0.03004 -0.09241
|
|
204 10D-2 0.15561 0.41833 0.28930 0.03366 0.05286
|
|
205 11D 0 0.55076 0.01842 -0.11919 -0.12772 0.01167
|
|
206 11D+1 0.28028 0.81610 0.58786 0.01699 -0.04777
|
|
207 11D-1 0.12124 -0.35747 0.03728 -0.17770 0.41953
|
|
208 11D+2 -0.31946 0.63005 0.42270 -0.18194 -0.11385
|
|
209 11D-2 -0.11889 -0.47313 -0.03013 -0.07460 -0.21279
|
|
210 12D 0 -0.17825 -0.24586 -0.07092 0.10408 0.08011
|
|
211 12D+1 -0.14311 0.44564 0.42353 0.01766 0.00703
|
|
212 12D-1 0.02635 0.02073 0.40359 -0.37280 0.13507
|
|
213 12D+2 0.03462 0.44050 -0.07666 0.09436 -0.09150
|
|
214 12D-2 0.16087 0.05791 0.62084 -0.46125 -0.22524
|
|
215 13F 0 0.02974 0.06019 0.06073 0.09100 0.02382
|
|
216 13F+1 0.05415 0.00243 0.01392 0.05617 0.02031
|
|
217 13F-1 -0.00678 -0.00250 -0.03419 0.11529 -0.25031
|
|
218 13F+2 0.01708 -0.03863 0.00264 0.05369 0.13436
|
|
219 13F-2 -0.03341 -0.05003 -0.13453 -0.01287 -0.16647
|
|
220 13F+3 -0.00888 0.00826 0.02798 0.18128 0.02241
|
|
221 13F-3 -0.01135 -0.05427 -0.10379 -0.02446 0.15892
|
|
222 14F 0 -0.07139 0.18849 0.18263 0.05837 0.06086
|
|
223 14F+1 -0.20120 -0.08919 -0.05029 -0.07578 0.02413
|
|
224 14F-1 -0.05425 0.05379 0.01057 0.07167 -0.22643
|
|
225 14F+2 0.00917 -0.32315 -0.15420 -0.13446 0.04236
|
|
226 14F-2 -0.02971 0.22154 -0.08680 0.23911 -0.07840
|
|
227 14F+3 0.10754 -0.23960 0.04377 -0.03185 -0.06320
|
|
228 14F-3 0.02851 0.19375 -0.02238 0.12781 0.25866
|
|
229 15G 0 -0.05894 -0.09275 -0.02788 -0.05475 -0.05155
|
|
230 15G+1 0.10514 -0.03716 -0.10596 -0.11355 -0.09013
|
|
231 15G-1 0.02712 0.02232 -0.01661 -0.09019 0.13171
|
|
232 15G+2 0.08730 0.08242 0.01826 0.06814 -0.16443
|
|
233 15G-2 0.06824 -0.04895 -0.00159 -0.13079 0.36478
|
|
234 15G+3 -0.02748 0.09707 0.02076 -0.03235 -0.09250
|
|
235 15G-3 -0.00805 -0.12882 0.00317 -0.03704 -0.01681
|
|
236 15G+4 -0.04302 0.06098 -0.02768 -0.15841 0.12999
|
|
237 15G-4 -0.05472 -0.08116 -0.02862 -0.03866 -0.25801
|
|
238 4 H 1S 0.00305 0.02844 0.00733 -0.10721 0.12458
|
|
239 2S -0.01502 0.62843 -0.64022 0.38064 -0.59495
|
|
240 3S -0.04206 -3.63725 2.87038 1.67294 -1.18658
|
|
241 4S -0.13880 -0.81585 1.16284 0.80591 -0.68706
|
|
242 5S 0.00393 -0.04245 -0.02563 -0.05675 0.02397
|
|
243 6PX 0.41351 -0.17808 -0.22943 0.02136 -0.03280
|
|
244 6PY 0.20689 -0.48322 0.81571 0.64428 -0.26505
|
|
245 6PZ 0.67909 -0.30326 -0.15700 0.10891 0.08711
|
|
246 7PX -0.39054 0.41471 0.05389 0.15192 -0.24152
|
|
247 7PY -0.20901 0.39828 -0.90242 -0.87740 0.32723
|
|
248 7PZ -0.62864 0.20191 0.32313 -0.27681 0.04979
|
|
249 8PX 0.09514 -2.38496 1.35862 0.61415 -0.61500
|
|
250 8PY 0.32566 -0.10118 1.50375 1.17199 -0.21045
|
|
251 8PZ 0.29009 0.97876 -1.29020 -0.32802 0.06175
|
|
252 9PX -0.02599 -0.59621 0.53375 0.28026 -0.30032
|
|
253 9PY 0.03743 -0.10090 0.51390 0.33669 -0.04509
|
|
254 9PZ 0.12373 0.31991 -0.38656 -0.19555 0.05610
|
|
255 10D 0 -0.48399 0.11369 0.04697 -0.01547 0.05668
|
|
256 10D+1 0.25288 -0.35183 0.24978 -0.10504 0.08585
|
|
257 10D-1 0.04577 0.28680 -0.17675 0.03802 0.06926
|
|
258 10D+2 0.24040 0.26098 -0.28145 0.03004 -0.09241
|
|
259 10D-2 0.15561 -0.41833 0.28930 -0.03366 0.05286
|
|
260 11D 0 0.55076 -0.01842 -0.11919 0.12772 0.01167
|
|
261 11D+1 -0.28028 0.81610 -0.58786 0.01699 0.04777
|
|
262 11D-1 -0.12124 -0.35747 -0.03728 -0.17770 -0.41953
|
|
263 11D+2 -0.31946 -0.63005 0.42270 0.18194 -0.11385
|
|
264 11D-2 -0.11889 0.47313 -0.03013 0.07460 -0.21279
|
|
265 12D 0 -0.17825 0.24586 -0.07092 -0.10408 0.08011
|
|
266 12D+1 0.14311 0.44564 -0.42353 0.01766 -0.00703
|
|
267 12D-1 -0.02635 0.02073 -0.40359 -0.37280 -0.13507
|
|
268 12D+2 0.03462 -0.44050 -0.07666 -0.09436 -0.09150
|
|
269 12D-2 0.16087 -0.05791 0.62084 0.46125 -0.22524
|
|
270 13F 0 0.02974 -0.06019 0.06073 -0.09100 0.02382
|
|
271 13F+1 -0.05415 0.00243 -0.01392 0.05617 -0.02031
|
|
272 13F-1 0.00678 -0.00250 0.03419 0.11529 0.25031
|
|
273 13F+2 0.01708 0.03863 0.00264 -0.05369 0.13436
|
|
274 13F-2 -0.03341 0.05003 -0.13453 0.01287 -0.16647
|
|
275 13F+3 0.00888 0.00826 -0.02798 0.18128 -0.02241
|
|
276 13F-3 0.01135 -0.05427 0.10379 -0.02446 -0.15892
|
|
277 14F 0 -0.07139 -0.18849 0.18263 -0.05837 0.06086
|
|
278 14F+1 0.20120 -0.08919 0.05029 -0.07578 -0.02413
|
|
279 14F-1 0.05425 0.05379 -0.01057 0.07167 0.22643
|
|
280 14F+2 0.00917 0.32315 -0.15420 0.13446 0.04236
|
|
281 14F-2 -0.02971 -0.22154 -0.08680 -0.23911 -0.07840
|
|
282 14F+3 -0.10754 -0.23960 -0.04377 -0.03185 0.06320
|
|
283 14F-3 -0.02851 0.19375 0.02238 0.12781 -0.25866
|
|
284 15G 0 -0.05894 0.09275 -0.02788 0.05475 -0.05155
|
|
285 15G+1 -0.10514 -0.03716 0.10596 -0.11355 0.09013
|
|
286 15G-1 -0.02712 0.02232 0.01661 -0.09019 -0.13171
|
|
287 15G+2 0.08730 -0.08242 0.01826 -0.06814 -0.16443
|
|
288 15G-2 0.06824 0.04895 -0.00159 0.13079 0.36478
|
|
289 15G+3 0.02748 0.09707 -0.02076 -0.03235 0.09250
|
|
290 15G-3 0.00805 -0.12882 -0.00317 -0.03704 0.01681
|
|
291 15G+4 -0.04302 -0.06098 -0.02768 0.15841 0.12999
|
|
292 15G-4 -0.05472 0.08116 -0.02862 0.03866 -0.25801
|
|
236 237 238 239 240
|
|
V V V V V
|
|
Eigenvalues -- 17.65319 17.70227 17.73762 17.85580 17.87174
|
|
1 1 O 1S -0.00137 0.00414 0.00022 -0.00165 -0.00121
|
|
2 2S -0.00763 -0.01553 -0.01281 -0.00866 0.01975
|
|
3 3S -0.10713 -0.17920 -0.17506 -0.03440 0.14303
|
|
4 4S 0.58723 0.88105 0.95893 0.00459 -0.59265
|
|
5 5S -0.39978 0.11021 -0.36703 -0.55812 0.81644
|
|
6 6S -0.29510 -0.82925 -0.52040 0.21551 0.31550
|
|
7 7PX -0.06323 -0.02777 -0.10403 -0.12715 -0.04847
|
|
8 7PY 0.01517 -0.01597 0.16658 0.02887 -0.19086
|
|
9 7PZ -0.08527 0.02517 0.00876 0.03926 0.17715
|
|
10 8PX 0.17082 0.21436 0.36634 0.24642 0.12172
|
|
11 8PY 0.02596 0.07030 -0.30918 -0.12792 0.37595
|
|
12 8PZ 0.26048 0.02832 0.01504 -0.19097 -0.44987
|
|
13 9PX -0.02179 0.11239 -0.14429 -0.33410 -0.25926
|
|
14 9PY 0.00875 0.00536 0.49008 0.35587 -0.41474
|
|
15 9PZ -0.20875 0.25230 0.22123 0.29359 0.62900
|
|
16 10PX -0.66697 -0.99809 -1.00807 -0.09382 0.12798
|
|
17 10PY -0.53662 -0.12993 -0.53762 0.04374 -0.41913
|
|
18 10PZ -0.60073 -0.43009 -0.54339 0.13192 0.49729
|
|
19 11PX -0.03295 -0.16081 -0.10368 0.01916 -0.01557
|
|
20 11PY -0.02331 0.00867 0.01527 -0.02647 -0.06152
|
|
21 11PZ -0.08748 -0.09410 -0.01984 0.04281 0.04145
|
|
22 12D 0 -0.01593 0.01373 0.02085 0.02787 0.03947
|
|
23 12D+1 -0.01861 -0.03085 -0.00848 0.03498 0.01104
|
|
24 12D-1 -0.00610 -0.00781 -0.00378 0.03418 0.03593
|
|
25 12D+2 0.00660 -0.02156 -0.03630 -0.01209 -0.00346
|
|
26 12D-2 -0.01272 -0.01542 -0.02092 0.02427 0.01527
|
|
27 13D 0 0.01020 -0.08039 -0.13159 -0.13051 -0.10516
|
|
28 13D+1 0.14776 0.16650 0.12058 -0.04713 -0.09119
|
|
29 13D-1 0.09516 0.04884 -0.02210 -0.09449 0.05512
|
|
30 13D+2 -0.01796 0.07944 0.09044 0.07077 0.08275
|
|
31 13D-2 0.03097 0.04393 0.07663 -0.00274 -0.03355
|
|
32 14D 0 -0.00713 0.31252 0.44662 0.48914 0.45588
|
|
33 14D+1 -0.45400 -0.48865 -0.36417 0.24026 0.38600
|
|
34 14D-1 -0.29096 -0.15501 0.14629 0.36030 -0.22539
|
|
35 14D+2 0.07341 -0.22318 -0.26409 -0.13083 -0.32667
|
|
36 14D-2 -0.07276 -0.12063 -0.18252 0.09075 0.09782
|
|
37 15D 0 -0.05916 0.16198 0.05117 0.06508 0.25039
|
|
38 15D+1 -0.43167 -0.47514 -0.49155 0.02334 0.31308
|
|
39 15D-1 -0.03781 -0.04841 0.00470 0.17905 -0.09222
|
|
40 15D+2 -0.32851 -0.35292 -0.50503 -0.21294 -0.19101
|
|
41 15D-2 -0.05241 0.01987 -0.09703 0.02062 -0.17076
|
|
42 16F 0 0.15861 0.31078 0.21132 0.15225 0.04685
|
|
43 16F+1 -0.13096 -0.00043 0.15336 0.23902 0.30783
|
|
44 16F-1 -0.11535 -0.02640 0.09553 0.18098 -0.05985
|
|
45 16F+2 -0.10406 -0.13437 -0.16662 0.01367 -0.00432
|
|
46 16F-2 -0.19398 -0.09019 0.04677 0.15590 -0.09536
|
|
47 16F+3 0.17313 0.01772 -0.00622 -0.10732 -0.10064
|
|
48 16F-3 0.06577 0.00579 -0.17315 -0.00053 0.15423
|
|
49 17F 0 0.03176 0.04760 0.05302 -0.05316 0.04141
|
|
50 17F+1 -0.03289 -0.00743 0.00114 0.08384 0.06616
|
|
51 17F-1 -0.00605 0.00314 0.02912 -0.00341 -0.00549
|
|
52 17F+2 0.01724 -0.10362 -0.05649 0.05614 0.05635
|
|
53 17F-2 -0.01254 -0.05156 -0.03334 0.07376 0.05422
|
|
54 17F+3 -0.01267 -0.05557 -0.06604 0.03942 -0.02559
|
|
55 17F-3 -0.00497 -0.04851 -0.00993 0.04232 -0.03224
|
|
56 18F 0 0.32617 0.53856 0.41470 0.10579 0.11428
|
|
57 18F+1 -0.21941 -0.00354 0.08800 0.38587 0.52219
|
|
58 18F-1 -0.13736 -0.00886 0.20926 0.32561 -0.10403
|
|
59 18F+2 -0.18639 -0.41305 -0.43036 0.03845 0.12273
|
|
60 18F-2 -0.23427 -0.18802 -0.01801 0.37606 -0.16586
|
|
61 18F+3 0.14193 -0.07199 -0.13312 -0.17335 -0.23151
|
|
62 18F-3 0.10803 -0.05125 -0.25089 0.08945 0.13952
|
|
63 19G 0 -0.08385 -0.08406 -0.03174 0.15153 0.09154
|
|
64 19G+1 -0.00367 -0.10925 -0.15769 -0.12791 -0.15913
|
|
65 19G-1 0.03562 -0.08819 -0.05757 0.00985 0.06791
|
|
66 19G+2 0.07941 0.06495 -0.03602 -0.11817 -0.06157
|
|
67 19G-2 0.09948 0.04000 -0.06777 -0.09617 -0.00761
|
|
68 19G+3 -0.03947 0.09433 0.11664 0.02189 -0.04327
|
|
69 19G-3 0.10920 0.09741 0.09317 -0.11155 -0.01347
|
|
70 19G+4 -0.07525 0.03573 0.02272 -0.00078 0.06911
|
|
71 19G-4 -0.05118 0.05158 0.05829 0.02355 0.01310
|
|
72 20G 0 0.33615 0.33272 0.11151 -0.21669 -0.12108
|
|
73 20G+1 0.14799 0.48134 0.46082 0.31087 0.36683
|
|
74 20G-1 0.01412 0.11701 0.20125 0.07845 -0.06527
|
|
75 20G+2 -0.18384 -0.18657 -0.08049 0.28118 0.40715
|
|
76 20G-2 -0.28958 -0.12180 0.22289 0.40964 -0.14917
|
|
77 20G+3 0.08039 -0.22793 -0.24826 0.01092 0.01288
|
|
78 20G-3 -0.15473 -0.21791 -0.13650 0.25900 0.02420
|
|
79 20G+4 0.19337 -0.00616 -0.01584 0.00607 -0.22282
|
|
80 20G-4 0.14284 -0.02258 -0.19198 0.07239 0.09050
|
|
81 21H 0 0.10920 -0.09283 -0.16563 -0.23701 -0.15750
|
|
82 21H+1 0.41511 0.55522 0.30548 -0.00986 0.05260
|
|
83 21H-1 0.11651 0.13740 0.07534 -0.07801 -0.01342
|
|
84 21H+2 0.05713 0.19355 0.19749 0.20055 0.39248
|
|
85 21H-2 -0.07158 0.06679 0.30938 0.23708 -0.14044
|
|
86 21H+3 -0.02586 -0.16250 -0.19703 0.11355 0.29785
|
|
87 21H-3 -0.27345 -0.16626 0.14680 0.34382 -0.18158
|
|
88 21H+4 0.18952 -0.06471 -0.06668 -0.02621 -0.02806
|
|
89 21H-4 0.05701 -0.11717 -0.15885 0.17599 0.06271
|
|
90 21H+5 0.06586 0.06149 0.10632 0.09330 -0.20803
|
|
91 21H-5 0.21812 0.06204 -0.12055 0.02255 0.11595
|
|
92 2 O 1S 0.00137 0.00414 -0.00022 -0.00165 0.00121
|
|
93 2S 0.00763 -0.01553 0.01281 -0.00866 -0.01975
|
|
94 3S 0.10713 -0.17920 0.17506 -0.03440 -0.14303
|
|
95 4S -0.58723 0.88105 -0.95893 0.00459 0.59265
|
|
96 5S 0.39978 0.11021 0.36703 -0.55812 -0.81644
|
|
97 6S 0.29510 -0.82925 0.52040 0.21551 -0.31550
|
|
98 7PX -0.06323 0.02777 -0.10403 0.12715 -0.04847
|
|
99 7PY 0.01517 0.01597 0.16658 -0.02887 -0.19086
|
|
100 7PZ 0.08527 0.02517 -0.00876 0.03926 -0.17715
|
|
101 8PX 0.17082 -0.21436 0.36634 -0.24642 0.12172
|
|
102 8PY 0.02596 -0.07030 -0.30918 0.12792 0.37595
|
|
103 8PZ -0.26048 0.02832 -0.01504 -0.19097 0.44987
|
|
104 9PX -0.02179 -0.11239 -0.14429 0.33410 -0.25926
|
|
105 9PY 0.00875 -0.00536 0.49008 -0.35587 -0.41474
|
|
106 9PZ 0.20875 0.25230 -0.22123 0.29359 -0.62900
|
|
107 10PX -0.66697 0.99809 -1.00807 0.09382 0.12798
|
|
108 10PY -0.53662 0.12993 -0.53762 -0.04374 -0.41913
|
|
109 10PZ 0.60073 -0.43009 0.54339 0.13192 -0.49729
|
|
110 11PX -0.03295 0.16081 -0.10368 -0.01916 -0.01557
|
|
111 11PY -0.02331 -0.00867 0.01527 0.02647 -0.06152
|
|
112 11PZ 0.08748 -0.09410 0.01984 0.04281 -0.04145
|
|
113 12D 0 0.01593 0.01373 -0.02085 0.02787 -0.03947
|
|
114 12D+1 -0.01861 0.03085 -0.00848 -0.03498 0.01104
|
|
115 12D-1 -0.00610 0.00781 -0.00378 -0.03418 0.03593
|
|
116 12D+2 -0.00660 -0.02156 0.03630 -0.01209 0.00346
|
|
117 12D-2 0.01272 -0.01542 0.02092 0.02427 -0.01527
|
|
118 13D 0 -0.01020 -0.08039 0.13159 -0.13051 0.10516
|
|
119 13D+1 0.14776 -0.16650 0.12058 0.04713 -0.09119
|
|
120 13D-1 0.09516 -0.04884 -0.02210 0.09449 0.05512
|
|
121 13D+2 0.01796 0.07944 -0.09044 0.07077 -0.08275
|
|
122 13D-2 -0.03097 0.04393 -0.07663 -0.00274 0.03355
|
|
123 14D 0 0.00713 0.31252 -0.44662 0.48914 -0.45588
|
|
124 14D+1 -0.45400 0.48865 -0.36417 -0.24026 0.38600
|
|
125 14D-1 -0.29096 0.15501 0.14629 -0.36030 -0.22539
|
|
126 14D+2 -0.07341 -0.22318 0.26409 -0.13083 0.32667
|
|
127 14D-2 0.07276 -0.12063 0.18252 0.09075 -0.09782
|
|
128 15D 0 0.05916 0.16198 -0.05117 0.06508 -0.25039
|
|
129 15D+1 -0.43167 0.47514 -0.49155 -0.02334 0.31308
|
|
130 15D-1 -0.03781 0.04841 0.00470 -0.17905 -0.09222
|
|
131 15D+2 0.32851 -0.35292 0.50503 -0.21294 0.19101
|
|
132 15D-2 0.05241 0.01987 0.09703 0.02062 0.17076
|
|
133 16F 0 -0.15861 0.31078 -0.21132 0.15225 -0.04685
|
|
134 16F+1 -0.13096 0.00043 0.15336 -0.23902 0.30783
|
|
135 16F-1 -0.11535 0.02640 0.09553 -0.18098 -0.05985
|
|
136 16F+2 0.10406 -0.13437 0.16662 0.01367 0.00432
|
|
137 16F-2 0.19398 -0.09019 -0.04677 0.15590 0.09536
|
|
138 16F+3 0.17313 -0.01772 -0.00622 0.10732 -0.10064
|
|
139 16F-3 0.06577 -0.00579 -0.17315 0.00053 0.15423
|
|
140 17F 0 -0.03176 0.04760 -0.05302 -0.05316 -0.04141
|
|
141 17F+1 -0.03289 0.00743 0.00114 -0.08384 0.06616
|
|
142 17F-1 -0.00605 -0.00314 0.02912 0.00341 -0.00549
|
|
143 17F+2 -0.01724 -0.10362 0.05649 0.05614 -0.05635
|
|
144 17F-2 0.01254 -0.05156 0.03334 0.07376 -0.05422
|
|
145 17F+3 -0.01267 0.05557 -0.06604 -0.03942 -0.02559
|
|
146 17F-3 -0.00497 0.04851 -0.00993 -0.04232 -0.03224
|
|
147 18F 0 -0.32617 0.53856 -0.41470 0.10579 -0.11428
|
|
148 18F+1 -0.21941 0.00354 0.08800 -0.38587 0.52219
|
|
149 18F-1 -0.13736 0.00886 0.20926 -0.32561 -0.10403
|
|
150 18F+2 0.18639 -0.41305 0.43036 0.03845 -0.12273
|
|
151 18F-2 0.23427 -0.18802 0.01801 0.37606 0.16586
|
|
152 18F+3 0.14193 0.07199 -0.13312 0.17335 -0.23151
|
|
153 18F-3 0.10803 0.05125 -0.25089 -0.08945 0.13952
|
|
154 19G 0 0.08385 -0.08406 0.03174 0.15153 -0.09154
|
|
155 19G+1 -0.00367 0.10925 -0.15769 0.12791 -0.15913
|
|
156 19G-1 0.03562 0.08819 -0.05757 -0.00985 0.06791
|
|
157 19G+2 -0.07941 0.06495 0.03602 -0.11817 0.06157
|
|
158 19G-2 -0.09948 0.04000 0.06777 -0.09617 0.00761
|
|
159 19G+3 -0.03947 -0.09433 0.11664 -0.02189 -0.04327
|
|
160 19G-3 0.10920 -0.09741 0.09317 0.11155 -0.01347
|
|
161 19G+4 0.07525 0.03573 -0.02272 -0.00078 -0.06911
|
|
162 19G-4 0.05118 0.05158 -0.05829 0.02355 -0.01310
|
|
163 20G 0 -0.33615 0.33272 -0.11151 -0.21669 0.12108
|
|
164 20G+1 0.14799 -0.48134 0.46082 -0.31087 0.36683
|
|
165 20G-1 0.01412 -0.11701 0.20125 -0.07845 -0.06527
|
|
166 20G+2 0.18384 -0.18657 0.08049 0.28118 -0.40715
|
|
167 20G-2 0.28958 -0.12180 -0.22289 0.40964 0.14917
|
|
168 20G+3 0.08039 0.22793 -0.24826 -0.01092 0.01288
|
|
169 20G-3 -0.15473 0.21791 -0.13650 -0.25900 0.02420
|
|
170 20G+4 -0.19337 -0.00616 0.01584 0.00607 0.22282
|
|
171 20G-4 -0.14284 -0.02258 0.19198 0.07239 -0.09050
|
|
172 21H 0 -0.10920 -0.09283 0.16563 -0.23701 0.15750
|
|
173 21H+1 0.41511 -0.55522 0.30548 0.00986 0.05260
|
|
174 21H-1 0.11651 -0.13740 0.07534 0.07801 -0.01342
|
|
175 21H+2 -0.05713 0.19355 -0.19749 0.20055 -0.39248
|
|
176 21H-2 0.07158 0.06679 -0.30938 0.23708 0.14044
|
|
177 21H+3 -0.02586 0.16250 -0.19703 -0.11355 0.29785
|
|
178 21H-3 -0.27345 0.16626 0.14680 -0.34382 -0.18158
|
|
179 21H+4 -0.18952 -0.06471 0.06668 -0.02621 0.02806
|
|
180 21H-4 -0.05701 -0.11717 0.15885 0.17599 -0.06271
|
|
181 21H+5 0.06586 -0.06149 0.10632 -0.09330 -0.20803
|
|
182 21H-5 0.21812 -0.06204 -0.12055 -0.02255 0.11595
|
|
183 3 H 1S -0.12023 -0.26432 -0.21057 0.11131 0.02710
|
|
184 2S 0.77559 1.94395 1.47427 -0.81319 -0.12066
|
|
185 3S 0.62884 -0.52577 0.20764 0.79463 -0.44865
|
|
186 4S 0.21306 0.47286 0.36334 -0.19823 0.00110
|
|
187 5S -0.02990 -0.03627 -0.05451 0.02727 0.00578
|
|
188 6PX 0.18952 -0.17684 -0.33592 -0.34966 -0.28349
|
|
189 6PY -0.33351 -0.12507 -0.12386 0.18163 0.13760
|
|
190 6PZ -0.35348 -0.03988 0.33750 0.53641 0.31196
|
|
191 7PX -0.65635 -0.59400 -0.09649 0.93876 0.51571
|
|
192 7PY 0.43758 0.02062 0.06368 -0.21314 -0.20498
|
|
193 7PZ 0.32932 -0.52495 -0.98150 -0.64034 -0.47622
|
|
194 8PX 0.03514 0.85136 0.43973 -0.24156 0.35572
|
|
195 8PY -0.15808 0.03923 -0.15808 -0.36986 0.43427
|
|
196 8PZ 0.00405 0.30946 0.23104 -0.40494 -0.45902
|
|
197 9PX -0.04309 0.12343 0.13437 0.04947 0.07492
|
|
198 9PY 0.04374 -0.00285 -0.04481 -0.04846 0.11669
|
|
199 9PZ 0.08252 0.03200 -0.07202 -0.10980 -0.19625
|
|
200 10D 0 -0.06746 0.05112 0.15422 0.18541 0.10088
|
|
201 10D+1 0.07993 0.34216 0.31307 -0.07602 0.03591
|
|
202 10D-1 -0.06350 0.04881 0.10278 0.04833 -0.05587
|
|
203 10D+2 0.23731 0.31749 0.16765 -0.18327 -0.10312
|
|
204 10D-2 0.03677 0.10716 0.00577 -0.04876 0.05010
|
|
205 11D 0 -0.34349 -0.10234 0.09713 0.25004 0.35004
|
|
206 11D+1 -0.00576 -0.07044 0.01474 0.26758 0.13968
|
|
207 11D-1 0.04426 0.00783 -0.16893 0.07482 0.36481
|
|
208 11D+2 -0.13773 -0.46787 -0.43750 -0.33615 -0.15915
|
|
209 11D-2 -0.26223 -0.21114 0.05951 0.19982 -0.33654
|
|
210 12D 0 -0.05904 -0.00281 -0.02341 0.00271 0.20110
|
|
211 12D+1 -0.09169 -0.24819 -0.23518 0.09023 0.13929
|
|
212 12D-1 0.04846 -0.02735 -0.06226 -0.04914 0.06590
|
|
213 12D+2 -0.19494 -0.34705 -0.32087 0.01764 0.07270
|
|
214 12D-2 -0.04055 -0.14212 0.01758 0.16199 -0.20440
|
|
215 13F 0 0.26100 0.23369 0.06476 -0.03865 -0.03318
|
|
216 13F+1 0.17073 -0.08460 -0.26183 -0.27913 -0.20683
|
|
217 13F-1 -0.01214 -0.02285 0.07486 0.00211 -0.24075
|
|
218 13F+2 -0.06473 -0.10777 -0.13617 0.07707 0.05345
|
|
219 13F-2 0.04056 -0.05167 0.02048 -0.05826 -0.12582
|
|
220 13F+3 -0.03419 0.08439 0.16284 0.29147 0.05835
|
|
221 13F-3 0.17366 0.09728 -0.02026 0.01172 0.20936
|
|
222 14F 0 0.12586 0.12384 0.06295 0.03689 0.03206
|
|
223 14F+1 0.00125 0.04039 0.07540 0.05520 -0.00482
|
|
224 14F-1 -0.08395 -0.00328 0.15376 0.13271 -0.23048
|
|
225 14F+2 0.09290 0.08861 0.11338 -0.02481 -0.01502
|
|
226 14F-2 -0.04750 0.03895 0.07120 0.06861 -0.08638
|
|
227 14F+3 0.20700 0.18800 0.19877 0.07232 -0.11341
|
|
228 14F-3 0.14358 0.14613 -0.02835 -0.08483 0.14015
|
|
229 15G 0 -0.15539 -0.22862 -0.12698 -0.02433 -0.06563
|
|
230 15G+1 -0.26062 -0.26599 -0.09359 0.01786 -0.03371
|
|
231 15G-1 0.00247 -0.05552 -0.11576 -0.06774 0.13091
|
|
232 15G+2 -0.01885 0.10008 0.15941 0.04556 -0.09054
|
|
233 15G-2 0.10571 0.06409 -0.16138 -0.13372 0.32988
|
|
234 15G+3 -0.05712 0.00610 0.01364 -0.11130 -0.04700
|
|
235 15G-3 -0.04922 0.00710 -0.01739 -0.05203 0.03530
|
|
236 15G+4 -0.09693 -0.09060 -0.17059 -0.19282 0.09068
|
|
237 15G-4 -0.22510 -0.14218 0.02251 -0.02776 -0.17303
|
|
238 4 H 1S 0.12023 -0.26432 0.21057 0.11131 -0.02710
|
|
239 2S -0.77559 1.94395 -1.47427 -0.81319 0.12066
|
|
240 3S -0.62884 -0.52577 -0.20764 0.79463 0.44865
|
|
241 4S -0.21306 0.47286 -0.36334 -0.19823 -0.00110
|
|
242 5S 0.02990 -0.03627 0.05451 0.02727 -0.00578
|
|
243 6PX 0.18952 0.17684 -0.33592 0.34966 -0.28349
|
|
244 6PY -0.33351 0.12507 -0.12386 -0.18163 0.13760
|
|
245 6PZ 0.35348 -0.03988 -0.33750 0.53641 -0.31196
|
|
246 7PX -0.65635 0.59400 -0.09649 -0.93876 0.51571
|
|
247 7PY 0.43758 -0.02062 0.06368 0.21314 -0.20498
|
|
248 7PZ -0.32932 -0.52495 0.98150 -0.64034 0.47622
|
|
249 8PX 0.03514 -0.85136 0.43973 0.24156 0.35572
|
|
250 8PY -0.15808 -0.03923 -0.15808 0.36986 0.43427
|
|
251 8PZ -0.00405 0.30946 -0.23104 -0.40494 0.45902
|
|
252 9PX -0.04309 -0.12343 0.13437 -0.04947 0.07492
|
|
253 9PY 0.04374 0.00285 -0.04481 0.04846 0.11669
|
|
254 9PZ -0.08252 0.03200 0.07202 -0.10980 0.19625
|
|
255 10D 0 0.06746 0.05112 -0.15422 0.18541 -0.10088
|
|
256 10D+1 0.07993 -0.34216 0.31307 0.07602 0.03591
|
|
257 10D-1 -0.06350 -0.04881 0.10278 -0.04833 -0.05587
|
|
258 10D+2 -0.23731 0.31749 -0.16765 -0.18327 0.10312
|
|
259 10D-2 -0.03677 0.10716 -0.00577 -0.04876 -0.05010
|
|
260 11D 0 0.34349 -0.10234 -0.09713 0.25004 -0.35004
|
|
261 11D+1 -0.00576 0.07044 0.01474 -0.26758 0.13968
|
|
262 11D-1 0.04426 -0.00783 -0.16893 -0.07482 0.36481
|
|
263 11D+2 0.13773 -0.46787 0.43750 -0.33615 0.15915
|
|
264 11D-2 0.26223 -0.21114 -0.05951 0.19982 0.33654
|
|
265 12D 0 0.05904 -0.00281 0.02341 0.00271 -0.20110
|
|
266 12D+1 -0.09169 0.24819 -0.23518 -0.09023 0.13929
|
|
267 12D-1 0.04846 0.02735 -0.06226 0.04914 0.06590
|
|
268 12D+2 0.19494 -0.34705 0.32087 0.01764 -0.07270
|
|
269 12D-2 0.04055 -0.14212 -0.01758 0.16199 0.20440
|
|
270 13F 0 -0.26100 0.23369 -0.06476 -0.03865 0.03318
|
|
271 13F+1 0.17073 0.08460 -0.26183 0.27913 -0.20683
|
|
272 13F-1 -0.01214 0.02285 0.07486 -0.00211 -0.24075
|
|
273 13F+2 0.06473 -0.10777 0.13617 0.07707 -0.05345
|
|
274 13F-2 -0.04056 -0.05167 -0.02048 -0.05826 0.12582
|
|
275 13F+3 -0.03419 -0.08439 0.16284 -0.29147 0.05835
|
|
276 13F-3 0.17366 -0.09728 -0.02026 -0.01172 0.20936
|
|
277 14F 0 -0.12586 0.12384 -0.06295 0.03689 -0.03206
|
|
278 14F+1 0.00125 -0.04039 0.07540 -0.05520 -0.00482
|
|
279 14F-1 -0.08395 0.00328 0.15376 -0.13271 -0.23048
|
|
280 14F+2 -0.09290 0.08861 -0.11338 -0.02481 0.01502
|
|
281 14F-2 0.04750 0.03895 -0.07120 0.06861 0.08638
|
|
282 14F+3 0.20700 -0.18800 0.19877 -0.07232 -0.11341
|
|
283 14F-3 0.14358 -0.14613 -0.02835 0.08483 0.14015
|
|
284 15G 0 0.15539 -0.22862 0.12698 -0.02433 0.06563
|
|
285 15G+1 -0.26062 0.26599 -0.09359 -0.01786 -0.03371
|
|
286 15G-1 0.00247 0.05552 -0.11576 0.06774 0.13091
|
|
287 15G+2 0.01885 0.10008 -0.15941 0.04556 0.09054
|
|
288 15G-2 -0.10571 0.06409 0.16138 -0.13372 -0.32988
|
|
289 15G+3 -0.05712 -0.00610 0.01364 0.11130 -0.04700
|
|
290 15G-3 -0.04922 -0.00710 -0.01739 0.05203 0.03530
|
|
291 15G+4 0.09693 -0.09060 0.17059 -0.19282 -0.09068
|
|
292 15G-4 0.22510 -0.14218 -0.02251 -0.02776 0.17303
|
|
241 242 243 244 245
|
|
V V V V V
|
|
Eigenvalues -- 17.98736 18.03107 18.31057 18.32232 18.37221
|
|
1 1 O 1S -0.00043 -0.00469 -0.00555 0.00144 -0.00847
|
|
2 2S -0.01774 -0.00753 -0.09847 0.06632 -0.03878
|
|
3 3S -0.10476 -0.02255 -0.67818 0.47331 -0.29595
|
|
4 4S 0.31060 0.21540 2.10238 -1.54151 1.03194
|
|
5 5S -1.15531 -2.89000 -3.35429 2.24214 -2.64040
|
|
6 6S -0.08537 -1.02252 -1.74367 1.34462 -1.41807
|
|
7 7PX -0.00496 -0.20013 -0.54677 0.37438 -0.48905
|
|
8 7PY 0.14767 -0.07145 0.07928 -0.11331 -0.29248
|
|
9 7PZ -0.15375 -0.13328 -0.37622 0.22123 -0.31467
|
|
10 8PX -0.07148 0.37603 1.11041 -0.79637 1.00505
|
|
11 8PY -0.41704 0.21999 -0.25798 0.27494 0.64587
|
|
12 8PZ 0.34327 0.23465 0.75371 -0.47363 0.65714
|
|
13 9PX 0.23479 -1.06750 -0.96483 0.52357 -1.42440
|
|
14 9PY 0.95340 -0.48928 0.47667 -0.54459 -0.99347
|
|
15 9PZ -0.38302 -0.71652 -0.67857 0.27130 -0.90749
|
|
16 10PX -0.47402 -0.62379 -1.52888 1.33251 -0.69843
|
|
17 10PY -0.30096 0.75325 -0.02521 0.58144 0.21704
|
|
18 10PZ -0.42128 -0.35617 -0.89291 0.89132 -0.73679
|
|
19 11PX -0.01096 -0.12974 -0.20405 0.23127 -0.14190
|
|
20 11PY -0.07629 -0.03333 -0.01049 0.07803 0.00661
|
|
21 11PZ -0.03456 -0.07803 -0.12420 0.11392 -0.10572
|
|
22 12D 0 -0.02758 -0.00558 -0.00701 0.00154 -0.00450
|
|
23 12D+1 0.00884 0.04665 0.05899 -0.02091 0.05620
|
|
24 12D-1 0.02836 -0.01174 0.03300 -0.00189 0.01395
|
|
25 12D+2 0.01158 0.01923 0.02047 -0.01108 0.06113
|
|
26 12D-2 0.04359 -0.02635 0.06565 0.00899 0.03054
|
|
27 13D 0 0.08480 -0.03978 -0.02745 0.00349 -0.01269
|
|
28 13D+1 0.09661 -0.06136 0.19678 -0.16670 0.12939
|
|
29 13D-1 -0.06970 0.01384 0.00820 0.00363 0.07672
|
|
30 13D+2 -0.03142 -0.02621 0.10949 -0.16632 0.03553
|
|
31 13D-2 -0.06249 0.08197 -0.03858 0.00971 0.09323
|
|
32 14D 0 -0.23486 0.16868 0.03224 -0.03153 -0.05050
|
|
33 14D+1 -0.22903 -0.01574 -0.28346 0.22474 -0.35137
|
|
34 14D-1 0.31307 0.00407 0.11096 -0.13875 -0.23758
|
|
35 14D+2 0.32759 -0.09181 -0.08457 0.35700 -0.14480
|
|
36 14D-2 0.36694 -0.31981 0.33999 -0.12314 -0.19227
|
|
37 15D 0 -0.29677 0.11764 0.05863 0.03967 0.20594
|
|
38 15D+1 -0.38585 -0.08734 -0.62923 0.68281 -0.19811
|
|
39 15D-1 -0.03399 0.18403 -0.25946 0.20101 -0.03656
|
|
40 15D+2 -0.42794 0.19728 -0.44551 0.70242 0.12795
|
|
41 15D-2 0.12088 0.26336 -0.14432 0.34711 -0.31548
|
|
42 16F 0 0.10640 -0.04581 0.22951 0.01739 0.22722
|
|
43 16F+1 -0.29961 0.15612 -0.12322 0.01213 -0.10593
|
|
44 16F-1 0.09466 0.12419 -0.09260 0.10180 -0.06602
|
|
45 16F+2 0.05090 0.03699 -0.32970 0.49430 -0.12385
|
|
46 16F-2 0.13926 -0.23733 0.10215 -0.00409 -0.17393
|
|
47 16F+3 0.00100 0.15161 -0.17992 0.14696 0.00202
|
|
48 16F-3 0.19110 -0.04220 -0.05504 0.03538 -0.18508
|
|
49 17F 0 -0.08280 -0.00039 -0.24382 0.02466 -0.22544
|
|
50 17F+1 0.04363 0.01038 0.12534 -0.03612 0.09622
|
|
51 17F-1 -0.04602 -0.00597 0.07676 -0.06674 0.04741
|
|
52 17F+2 0.01304 0.12648 0.33034 -0.33894 0.23209
|
|
53 17F-2 0.07990 0.10910 0.13107 -0.07256 0.14538
|
|
54 17F+3 0.08652 -0.00366 0.19025 -0.03635 0.13922
|
|
55 17F-3 0.04896 0.00955 0.19644 -0.07967 0.18142
|
|
56 18F 0 0.01006 -0.07046 0.02615 -0.03812 0.13905
|
|
57 18F+1 -0.40285 0.20930 -0.15836 0.12502 -0.04036
|
|
58 18F-1 0.13506 0.13461 -0.08828 0.01266 -0.17142
|
|
59 18F+2 -0.14409 0.27585 -0.42363 0.48289 0.08274
|
|
60 18F-2 0.33000 0.12218 0.10928 -0.06789 -0.23381
|
|
61 18F+3 -0.02813 0.31855 -0.27300 0.48726 0.04180
|
|
62 18F-3 0.48768 0.00032 0.05126 -0.05744 -0.20243
|
|
63 19G 0 -0.04432 0.06446 0.07260 0.00972 -0.00826
|
|
64 19G+1 0.07353 0.02644 0.09576 0.01201 0.18035
|
|
65 19G-1 0.11694 0.05732 -0.01946 -0.29077 -0.18278
|
|
66 19G+2 0.10509 -0.14575 -0.05647 0.02785 -0.18481
|
|
67 19G-2 0.02663 -0.08848 0.03950 0.16809 -0.01913
|
|
68 19G+3 -0.01810 -0.13823 -0.06647 -0.02972 -0.13300
|
|
69 19G-3 -0.17002 0.09456 -0.23376 -0.01741 0.05239
|
|
70 19G+4 -0.02521 -0.08308 0.00993 -0.02979 -0.01348
|
|
71 19G-4 -0.01821 -0.03115 0.04492 0.18489 -0.03099
|
|
72 20G 0 0.18859 -0.19164 -0.09814 0.01224 -0.08214
|
|
73 20G+1 -0.15420 -0.04173 -0.11179 0.03046 -0.13884
|
|
74 20G-1 -0.07585 0.06873 -0.01353 0.14317 0.05545
|
|
75 20G+2 -0.22717 0.31570 0.03424 0.02802 0.18826
|
|
76 20G-2 0.12433 0.17287 0.09607 -0.08996 -0.02431
|
|
77 20G+3 0.05246 0.39653 0.03406 0.21407 0.36650
|
|
78 20G-3 0.36020 0.03050 0.41079 -0.09947 -0.00167
|
|
79 20G+4 0.17381 0.34920 -0.07020 0.20405 0.16226
|
|
80 20G-4 0.40715 -0.01884 0.18667 -0.09340 0.12844
|
|
81 21H 0 0.12899 -0.04998 0.00127 -0.05568 -0.01989
|
|
82 21H+1 0.13991 -0.23270 -0.09162 0.05291 -0.12477
|
|
83 21H-1 -0.03933 -0.02087 -0.04343 0.03879 0.01831
|
|
84 21H+2 -0.16494 0.04508 -0.01226 -0.02497 -0.02639
|
|
85 21H-2 0.01214 0.13587 -0.04129 0.04451 -0.03987
|
|
86 21H+3 -0.08741 0.22168 0.06765 0.10495 0.24586
|
|
87 21H-3 0.12050 0.16639 0.16051 -0.04375 0.02289
|
|
88 21H+4 0.05739 0.37745 0.05297 0.18939 0.28383
|
|
89 21H-4 0.32547 0.14487 0.24139 -0.05846 0.04990
|
|
90 21H+5 0.24401 0.19118 -0.01309 0.22990 0.18525
|
|
91 21H-5 0.25031 -0.02251 0.16776 0.03244 0.12037
|
|
92 2 O 1S -0.00043 0.00469 0.00555 0.00144 -0.00847
|
|
93 2S -0.01774 0.00753 0.09847 0.06632 -0.03878
|
|
94 3S -0.10476 0.02255 0.67818 0.47331 -0.29595
|
|
95 4S 0.31060 -0.21540 -2.10238 -1.54151 1.03194
|
|
96 5S -1.15531 2.89000 3.35429 2.24214 -2.64040
|
|
97 6S -0.08537 1.02252 1.74367 1.34462 -1.41807
|
|
98 7PX 0.00496 -0.20013 -0.54677 -0.37438 0.48905
|
|
99 7PY -0.14767 -0.07145 0.07928 0.11331 0.29248
|
|
100 7PZ -0.15375 0.13328 0.37622 0.22123 -0.31467
|
|
101 8PX 0.07148 0.37603 1.11041 0.79637 -1.00505
|
|
102 8PY 0.41704 0.21999 -0.25798 -0.27494 -0.64587
|
|
103 8PZ 0.34327 -0.23465 -0.75371 -0.47363 0.65714
|
|
104 9PX -0.23479 -1.06750 -0.96483 -0.52357 1.42440
|
|
105 9PY -0.95340 -0.48928 0.47667 0.54459 0.99347
|
|
106 9PZ -0.38302 0.71652 0.67857 0.27130 -0.90749
|
|
107 10PX 0.47402 -0.62379 -1.52888 -1.33251 0.69843
|
|
108 10PY 0.30096 0.75325 -0.02521 -0.58144 -0.21704
|
|
109 10PZ -0.42128 0.35617 0.89291 0.89132 -0.73679
|
|
110 11PX 0.01096 -0.12974 -0.20405 -0.23127 0.14190
|
|
111 11PY 0.07629 -0.03333 -0.01049 -0.07803 -0.00661
|
|
112 11PZ -0.03456 0.07803 0.12420 0.11392 -0.10572
|
|
113 12D 0 -0.02758 0.00558 0.00701 0.00154 -0.00450
|
|
114 12D+1 -0.00884 0.04665 0.05899 0.02091 -0.05620
|
|
115 12D-1 -0.02836 -0.01174 0.03300 0.00189 -0.01395
|
|
116 12D+2 0.01158 -0.01923 -0.02047 -0.01108 0.06113
|
|
117 12D-2 0.04359 0.02635 -0.06565 0.00899 0.03054
|
|
118 13D 0 0.08480 0.03978 0.02745 0.00349 -0.01269
|
|
119 13D+1 -0.09661 -0.06136 0.19678 0.16670 -0.12939
|
|
120 13D-1 0.06970 0.01384 0.00820 -0.00363 -0.07672
|
|
121 13D+2 -0.03142 0.02621 -0.10949 -0.16632 0.03553
|
|
122 13D-2 -0.06249 -0.08197 0.03858 0.00971 0.09323
|
|
123 14D 0 -0.23486 -0.16868 -0.03224 -0.03153 -0.05050
|
|
124 14D+1 0.22903 -0.01574 -0.28346 -0.22474 0.35137
|
|
125 14D-1 -0.31307 0.00407 0.11096 0.13875 0.23758
|
|
126 14D+2 0.32759 0.09181 0.08457 0.35700 -0.14480
|
|
127 14D-2 0.36694 0.31981 -0.33999 -0.12314 -0.19227
|
|
128 15D 0 -0.29677 -0.11764 -0.05863 0.03967 0.20594
|
|
129 15D+1 0.38585 -0.08734 -0.62923 -0.68281 0.19811
|
|
130 15D-1 0.03399 0.18403 -0.25946 -0.20101 0.03656
|
|
131 15D+2 -0.42794 -0.19728 0.44551 0.70242 0.12795
|
|
132 15D-2 0.12088 -0.26336 0.14432 0.34711 -0.31548
|
|
133 16F 0 0.10640 0.04581 -0.22951 0.01739 0.22722
|
|
134 16F+1 0.29961 0.15612 -0.12322 -0.01213 0.10593
|
|
135 16F-1 -0.09466 0.12419 -0.09260 -0.10180 0.06602
|
|
136 16F+2 0.05090 -0.03699 0.32970 0.49430 -0.12385
|
|
137 16F-2 0.13926 0.23733 -0.10215 -0.00409 -0.17393
|
|
138 16F+3 -0.00100 0.15161 -0.17992 -0.14696 -0.00202
|
|
139 16F-3 -0.19110 -0.04220 -0.05504 -0.03538 0.18508
|
|
140 17F 0 -0.08280 0.00039 0.24382 0.02466 -0.22544
|
|
141 17F+1 -0.04363 0.01038 0.12534 0.03612 -0.09622
|
|
142 17F-1 0.04602 -0.00597 0.07676 0.06674 -0.04741
|
|
143 17F+2 0.01304 -0.12648 -0.33034 -0.33894 0.23209
|
|
144 17F-2 0.07990 -0.10910 -0.13107 -0.07256 0.14538
|
|
145 17F+3 -0.08652 -0.00366 0.19025 0.03635 -0.13922
|
|
146 17F-3 -0.04896 0.00955 0.19644 0.07967 -0.18142
|
|
147 18F 0 0.01006 0.07046 -0.02615 -0.03812 0.13905
|
|
148 18F+1 0.40285 0.20930 -0.15836 -0.12502 0.04036
|
|
149 18F-1 -0.13506 0.13461 -0.08828 -0.01266 0.17142
|
|
150 18F+2 -0.14409 -0.27585 0.42363 0.48289 0.08274
|
|
151 18F-2 0.33000 -0.12218 -0.10928 -0.06789 -0.23381
|
|
152 18F+3 0.02813 0.31855 -0.27300 -0.48726 -0.04180
|
|
153 18F-3 -0.48768 0.00032 0.05126 0.05744 0.20243
|
|
154 19G 0 -0.04432 -0.06446 -0.07260 0.00972 -0.00826
|
|
155 19G+1 -0.07353 0.02644 0.09576 -0.01201 -0.18035
|
|
156 19G-1 -0.11694 0.05732 -0.01946 0.29077 0.18278
|
|
157 19G+2 0.10509 0.14575 0.05647 0.02785 -0.18481
|
|
158 19G-2 0.02663 0.08848 -0.03950 0.16809 -0.01913
|
|
159 19G+3 0.01810 -0.13823 -0.06647 0.02972 0.13300
|
|
160 19G-3 0.17002 0.09456 -0.23376 0.01741 -0.05239
|
|
161 19G+4 -0.02521 0.08308 -0.00993 -0.02979 -0.01348
|
|
162 19G-4 -0.01821 0.03115 -0.04492 0.18489 -0.03099
|
|
163 20G 0 0.18859 0.19164 0.09814 0.01224 -0.08214
|
|
164 20G+1 0.15420 -0.04173 -0.11179 -0.03046 0.13884
|
|
165 20G-1 0.07585 0.06873 -0.01353 -0.14317 -0.05545
|
|
166 20G+2 -0.22717 -0.31570 -0.03424 0.02802 0.18826
|
|
167 20G-2 0.12433 -0.17287 -0.09607 -0.08996 -0.02431
|
|
168 20G+3 -0.05246 0.39653 0.03406 -0.21407 -0.36650
|
|
169 20G-3 -0.36020 0.03050 0.41079 0.09947 0.00167
|
|
170 20G+4 0.17381 -0.34920 0.07020 0.20405 0.16226
|
|
171 20G-4 0.40715 0.01884 -0.18667 -0.09340 0.12844
|
|
172 21H 0 0.12899 0.04998 -0.00127 -0.05568 -0.01989
|
|
173 21H+1 -0.13991 -0.23270 -0.09162 -0.05291 0.12477
|
|
174 21H-1 0.03933 -0.02087 -0.04343 -0.03879 -0.01831
|
|
175 21H+2 -0.16494 -0.04508 0.01226 -0.02497 -0.02639
|
|
176 21H-2 0.01214 -0.13587 0.04129 0.04451 -0.03987
|
|
177 21H+3 0.08741 0.22168 0.06765 -0.10495 -0.24586
|
|
178 21H-3 -0.12050 0.16639 0.16051 0.04375 -0.02289
|
|
179 21H+4 0.05739 -0.37745 -0.05297 0.18939 0.28383
|
|
180 21H-4 0.32547 -0.14487 -0.24139 -0.05846 0.04990
|
|
181 21H+5 -0.24401 0.19118 -0.01309 -0.22990 -0.18525
|
|
182 21H-5 -0.25031 -0.02251 0.16776 -0.03244 -0.12037
|
|
183 3 H 1S 0.06144 0.15662 0.07292 0.03921 0.10302
|
|
184 2S -0.55033 -1.79326 -0.66849 -0.42425 -1.11924
|
|
185 3S 1.21564 3.23042 3.39180 -1.96363 3.33207
|
|
186 4S 0.06789 0.69150 1.07393 -1.09126 1.07301
|
|
187 5S 0.02664 0.11077 0.05879 0.01668 0.02286
|
|
188 6PX 0.23065 0.21269 -0.14287 0.24873 0.04937
|
|
189 6PY 0.45244 -0.50268 0.32937 -0.30816 -0.32423
|
|
190 6PZ -0.33570 0.29615 -0.06884 0.20433 -0.02306
|
|
191 7PX -0.07994 0.44864 0.53161 -0.17942 0.36082
|
|
192 7PY -0.64649 1.02704 -0.46878 0.61598 0.69099
|
|
193 7PZ 0.76445 0.03448 0.31742 -0.16968 0.33989
|
|
194 8PX -0.40179 -1.63698 -1.18827 0.35956 -1.67648
|
|
195 8PY -0.44920 -0.89235 -0.53657 0.14856 -0.39281
|
|
196 8PZ -0.01257 -1.16461 -0.69120 0.43558 -1.03904
|
|
197 9PX -0.16675 -0.55108 -0.57604 0.40038 -0.62937
|
|
198 9PY -0.03229 -0.27152 -0.16440 0.02635 -0.23671
|
|
199 9PZ -0.01105 -0.42188 -0.38249 0.32352 -0.40805
|
|
200 10D 0 -0.07003 0.10170 0.00500 0.03333 0.01305
|
|
201 10D+1 -0.18290 -0.29379 -0.03143 -0.16804 -0.12390
|
|
202 10D-1 -0.00589 -0.11752 0.01426 -0.09678 -0.11993
|
|
203 10D+2 0.02519 -0.16343 -0.04032 -0.06603 -0.05768
|
|
204 10D-2 0.00352 -0.27089 0.03115 -0.14061 -0.14218
|
|
205 11D 0 -0.46089 0.02192 -0.08007 -0.10299 -0.07097
|
|
206 11D+1 -0.06390 0.54329 -0.22398 0.35616 0.12985
|
|
207 11D-1 0.11037 -0.10985 0.19253 -0.10902 -0.01396
|
|
208 11D+2 -0.19325 0.19847 -0.23689 0.22518 0.17312
|
|
209 11D-2 0.41121 0.07974 0.23661 -0.14453 -0.11527
|
|
210 12D 0 -0.01415 -0.10209 -0.01366 -0.15063 -0.15795
|
|
211 12D+1 0.02202 0.45971 0.17783 -0.04160 0.42095
|
|
212 12D-1 0.07930 0.25278 0.05292 -0.05053 0.15334
|
|
213 12D+2 0.06574 0.14285 0.20296 -0.11706 0.12522
|
|
214 12D-2 0.01765 0.36301 0.12375 0.08406 0.20697
|
|
215 13F 0 0.17206 -0.08184 -0.01752 0.09064 -0.04290
|
|
216 13F+1 0.25933 -0.07475 0.08524 -0.03205 0.06891
|
|
217 13F-1 0.12681 0.08201 -0.01086 0.03512 0.00993
|
|
218 13F+2 0.10608 -0.00956 0.23494 -0.07899 0.09288
|
|
219 13F-2 -0.05498 0.20503 -0.06069 0.09378 0.15066
|
|
220 13F+3 0.19969 0.05380 0.19140 -0.08224 0.00195
|
|
221 13F-3 -0.10646 0.14329 -0.01745 0.11009 0.14941
|
|
222 14F 0 0.08920 0.12158 -0.11769 0.14726 0.04661
|
|
223 14F+1 -0.02902 -0.01612 0.07770 0.01616 0.06799
|
|
224 14F-1 -0.00115 0.07330 0.00425 0.04930 -0.00718
|
|
225 14F+2 0.05347 0.00284 0.10787 -0.13458 0.07657
|
|
226 14F-2 0.00423 -0.07702 0.03568 -0.04008 -0.05480
|
|
227 14F+3 0.09438 0.10257 0.05748 0.07104 0.12546
|
|
228 14F-3 0.03861 -0.09935 0.02170 -0.07469 0.03619
|
|
229 15G 0 -0.07462 0.06979 0.10884 -0.10297 0.09706
|
|
230 15G+1 -0.13350 0.06864 0.07379 -0.11935 0.03612
|
|
231 15G-1 -0.10145 -0.05312 0.02389 -0.05169 0.01320
|
|
232 15G+2 -0.03687 -0.02492 -0.15478 0.06036 -0.16311
|
|
233 15G-2 -0.09240 -0.15537 -0.04499 -0.01585 -0.03719
|
|
234 15G+3 -0.15894 -0.14027 -0.23480 0.03946 -0.22438
|
|
235 15G-3 -0.07224 -0.14809 -0.11511 0.03215 -0.14828
|
|
236 15G+4 -0.18804 -0.13654 -0.14180 -0.03331 -0.10949
|
|
237 15G-4 -0.07682 -0.09260 -0.10264 -0.00644 -0.15843
|
|
238 4 H 1S 0.06144 -0.15662 -0.07292 0.03921 0.10302
|
|
239 2S -0.55033 1.79326 0.66849 -0.42425 -1.11924
|
|
240 3S 1.21564 -3.23042 -3.39180 -1.96363 3.33207
|
|
241 4S 0.06789 -0.69150 -1.07393 -1.09126 1.07301
|
|
242 5S 0.02664 -0.11077 -0.05879 0.01668 0.02286
|
|
243 6PX -0.23065 0.21269 -0.14287 -0.24873 -0.04937
|
|
244 6PY -0.45244 -0.50268 0.32937 0.30816 0.32423
|
|
245 6PZ -0.33570 -0.29615 0.06884 0.20433 -0.02306
|
|
246 7PX 0.07994 0.44864 0.53161 0.17942 -0.36082
|
|
247 7PY 0.64649 1.02704 -0.46878 -0.61598 -0.69099
|
|
248 7PZ 0.76445 -0.03448 -0.31742 -0.16968 0.33989
|
|
249 8PX 0.40179 -1.63698 -1.18827 -0.35956 1.67648
|
|
250 8PY 0.44920 -0.89235 -0.53657 -0.14856 0.39281
|
|
251 8PZ -0.01257 1.16461 0.69120 0.43558 -1.03904
|
|
252 9PX 0.16675 -0.55108 -0.57604 -0.40038 0.62937
|
|
253 9PY 0.03229 -0.27152 -0.16440 -0.02635 0.23671
|
|
254 9PZ -0.01105 0.42188 0.38249 0.32352 -0.40805
|
|
255 10D 0 -0.07003 -0.10170 -0.00500 0.03333 0.01305
|
|
256 10D+1 0.18290 -0.29379 -0.03143 0.16804 0.12390
|
|
257 10D-1 0.00589 -0.11752 0.01426 0.09678 0.11993
|
|
258 10D+2 0.02519 0.16343 0.04032 -0.06603 -0.05768
|
|
259 10D-2 0.00352 0.27089 -0.03115 -0.14061 -0.14218
|
|
260 11D 0 -0.46089 -0.02192 0.08007 -0.10299 -0.07097
|
|
261 11D+1 0.06390 0.54329 -0.22398 -0.35616 -0.12985
|
|
262 11D-1 -0.11037 -0.10985 0.19253 0.10902 0.01396
|
|
263 11D+2 -0.19325 -0.19847 0.23689 0.22518 0.17312
|
|
264 11D-2 0.41121 -0.07974 -0.23661 -0.14453 -0.11527
|
|
265 12D 0 -0.01415 0.10209 0.01366 -0.15063 -0.15795
|
|
266 12D+1 -0.02202 0.45971 0.17783 0.04160 -0.42095
|
|
267 12D-1 -0.07930 0.25278 0.05292 0.05053 -0.15334
|
|
268 12D+2 0.06574 -0.14285 -0.20296 -0.11706 0.12522
|
|
269 12D-2 0.01765 -0.36301 -0.12375 0.08406 0.20697
|
|
270 13F 0 0.17206 0.08184 0.01752 0.09064 -0.04290
|
|
271 13F+1 -0.25933 -0.07475 0.08524 0.03205 -0.06891
|
|
272 13F-1 -0.12681 0.08201 -0.01086 -0.03512 -0.00993
|
|
273 13F+2 0.10608 0.00956 -0.23494 -0.07899 0.09288
|
|
274 13F-2 -0.05498 -0.20503 0.06069 0.09378 0.15066
|
|
275 13F+3 -0.19969 0.05380 0.19140 0.08224 -0.00195
|
|
276 13F-3 0.10646 0.14329 -0.01745 -0.11009 -0.14941
|
|
277 14F 0 0.08920 -0.12158 0.11769 0.14726 0.04661
|
|
278 14F+1 0.02902 -0.01612 0.07770 -0.01616 -0.06799
|
|
279 14F-1 0.00115 0.07330 0.00425 -0.04930 0.00718
|
|
280 14F+2 0.05347 -0.00284 -0.10787 -0.13458 0.07657
|
|
281 14F-2 0.00423 0.07702 -0.03568 -0.04008 -0.05480
|
|
282 14F+3 -0.09438 0.10257 0.05748 -0.07104 -0.12546
|
|
283 14F-3 -0.03861 -0.09935 0.02170 0.07469 -0.03619
|
|
284 15G 0 -0.07462 -0.06979 -0.10884 -0.10297 0.09706
|
|
285 15G+1 0.13350 0.06864 0.07379 0.11935 -0.03612
|
|
286 15G-1 0.10145 -0.05312 0.02389 0.05169 -0.01320
|
|
287 15G+2 -0.03687 0.02492 0.15478 0.06036 -0.16311
|
|
288 15G-2 -0.09240 0.15537 0.04499 -0.01585 -0.03719
|
|
289 15G+3 0.15894 -0.14027 -0.23480 -0.03946 0.22438
|
|
290 15G-3 0.07224 -0.14809 -0.11511 -0.03215 0.14828
|
|
291 15G+4 -0.18804 0.13654 0.14180 -0.03331 -0.10949
|
|
292 15G-4 -0.07682 0.09260 0.10264 -0.00644 -0.15843
|
|
246 247 248 249 250
|
|
V V V V V
|
|
Eigenvalues -- 18.46187 18.65745 18.77585 18.80130 18.83730
|
|
1 1 O 1S 0.00214 -0.00296 -0.00067 -0.00519 -0.00540
|
|
2 2S -0.00281 0.02689 0.00068 0.05224 0.04762
|
|
3 3S -0.01006 0.10540 0.02754 0.19099 0.14292
|
|
4 4S 0.18370 0.04381 -0.47955 0.54928 0.71762
|
|
5 5S -0.55271 0.15651 1.62576 -2.54245 -1.81475
|
|
6 6S -0.07858 0.40044 0.86151 -1.24817 -1.02382
|
|
7 7PX 0.10407 0.07050 -0.03848 -0.20130 -0.07890
|
|
8 7PY 0.28579 0.06164 -0.21565 -0.13068 0.00136
|
|
9 7PZ 0.06708 0.02052 0.03597 -0.07623 -0.04807
|
|
10 8PX -0.17078 -0.09578 0.02313 0.68427 0.39375
|
|
11 8PY -0.65387 -0.14020 0.50247 0.38362 0.02405
|
|
12 8PZ -0.12261 -0.00247 -0.11411 0.32007 0.26077
|
|
13 9PX -0.11985 0.27784 0.31670 -1.64611 -0.89181
|
|
14 9PY 0.75134 0.30711 -0.57317 -0.85214 -0.09114
|
|
15 9PZ -0.04639 0.04459 0.33994 -0.91828 -0.60778
|
|
16 10PX 0.25702 -0.15841 0.53597 -1.49804 -1.07913
|
|
17 10PY 1.48851 -0.33970 -0.73882 0.07492 -0.00047
|
|
18 10PZ 0.07560 -0.06450 0.54557 -0.89785 -0.71936
|
|
19 11PX 0.02299 0.02045 0.03144 -0.09744 -0.04879
|
|
20 11PY 0.10413 -0.05172 -0.10995 0.05035 0.09001
|
|
21 11PZ 0.05985 0.03329 0.03288 -0.07389 -0.01658
|
|
22 12D 0 -0.00777 0.00567 0.00422 -0.01308 -0.01849
|
|
23 12D+1 -0.00624 -0.01303 0.00672 0.00567 -0.01603
|
|
24 12D-1 -0.00780 -0.00273 0.06340 -0.01077 0.02755
|
|
25 12D+2 -0.03836 0.01567 0.04993 -0.02672 -0.01908
|
|
26 12D-2 0.01345 0.00233 -0.00697 -0.03158 -0.00020
|
|
27 13D 0 -0.04018 -0.01717 0.02820 -0.01669 -0.01745
|
|
28 13D+1 -0.04122 0.02463 -0.00065 0.10468 0.11274
|
|
29 13D-1 -0.04928 -0.01552 0.03350 0.07794 0.02135
|
|
30 13D+2 -0.07331 0.00531 0.04823 0.06867 0.04955
|
|
31 13D-2 -0.11537 0.01873 0.04310 0.04847 0.04691
|
|
32 14D 0 0.13166 0.04992 -0.11307 0.10730 0.12687
|
|
33 14D+1 -0.09839 -0.09971 0.25900 -0.92236 -0.76567
|
|
34 14D-1 0.25574 0.03248 -0.22537 -0.37881 -0.20995
|
|
35 14D+2 0.02918 0.01473 -0.05578 -0.61777 -0.39317
|
|
36 14D-2 0.45830 -0.15186 -0.11396 -0.29235 -0.26647
|
|
37 15D 0 0.15835 -0.19107 -0.14472 0.22658 0.12607
|
|
38 15D+1 0.03904 -0.19101 0.24968 -0.43469 -0.54228
|
|
39 15D-1 0.36883 -0.07745 -0.34126 -0.00281 -0.18664
|
|
40 15D+2 0.21754 -0.24054 -0.10914 -0.12980 -0.24841
|
|
41 15D-2 0.48664 0.07415 -0.13609 0.06392 -0.14424
|
|
42 16F 0 -0.02592 -0.03859 0.04618 -0.16922 -0.05203
|
|
43 16F+1 0.12857 0.06742 -0.06224 0.10059 -0.08890
|
|
44 16F-1 -0.25553 -0.06325 0.24930 0.08386 0.08515
|
|
45 16F+2 0.01973 -0.00129 -0.02597 -0.17269 0.08858
|
|
46 16F-2 0.37414 0.07190 -0.08150 -0.20571 0.03579
|
|
47 16F+3 0.19669 0.04181 0.03072 0.09024 -0.12759
|
|
48 16F-3 0.01278 0.01339 -0.06491 0.00556 -0.06372
|
|
49 17F 0 0.06821 0.06731 -0.06561 0.22620 0.14569
|
|
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|
|
283 14F-3 -0.05040 0.02131 0.05218 -0.08416 0.08404
|
|
284 15G 0 0.06969 0.02470 -0.01638 0.01273 -0.00515
|
|
285 15G+1 -0.08258 0.00124 0.04630 0.02324 -0.00904
|
|
286 15G-1 0.00678 0.02183 0.01235 0.01653 -0.02593
|
|
287 15G+2 0.01956 0.05669 0.03154 -0.04133 0.01674
|
|
288 15G-2 -0.04601 -0.10119 -0.01170 0.01635 0.01944
|
|
289 15G+3 -0.05882 -0.04931 0.00980 0.08251 -0.05483
|
|
290 15G-3 0.00618 0.00725 -0.01613 0.04960 -0.02307
|
|
291 15G+4 0.08413 -0.06757 -0.04174 -0.01839 0.03391
|
|
292 15G-4 0.06090 0.02873 -0.03284 -0.12878 0.02408
|
|
251 252 253 254 255
|
|
V V V V V
|
|
Eigenvalues -- 18.94776 18.98158 19.00904 19.01264 19.14821
|
|
1 1 O 1S 0.00232 0.00312 -0.00575 0.00578 -0.00241
|
|
2 2S -0.01460 -0.01344 0.02917 -0.03525 0.02621
|
|
3 3S -0.14649 -0.00528 0.07685 -0.10519 0.18669
|
|
4 4S 0.73116 -0.71804 0.41416 -0.16329 -0.61234
|
|
5 5S -0.67527 2.41946 -0.72552 -0.49236 0.70325
|
|
6 6S -0.30734 1.49229 -0.51574 -0.24999 0.10497
|
|
7 7PX -0.01450 0.09180 -0.11376 0.20616 0.13082
|
|
8 7PY 0.06345 -0.10470 -0.01387 0.28934 -0.06933
|
|
9 7PZ -0.06835 0.04722 -0.07136 0.07738 0.06605
|
|
10 8PX 0.14009 -0.29029 0.38614 -0.58232 -0.31246
|
|
11 8PY -0.13178 0.31480 0.04222 -0.70843 0.11504
|
|
12 8PZ 0.23182 -0.15748 0.25605 -0.25291 -0.15333
|
|
13 9PX -0.18855 0.78604 -0.64832 0.54810 0.17674
|
|
14 9PY 0.29160 -0.46030 -0.16606 0.84505 -0.15804
|
|
15 9PZ -0.28468 0.50611 -0.44926 0.14916 0.04439
|
|
16 10PX 0.05286 0.18722 -0.50710 0.60669 0.53839
|
|
17 10PY -0.26292 -1.82566 -0.07927 1.70650 0.30100
|
|
18 10PZ -0.39847 -0.17842 -0.35687 0.24490 0.14897
|
|
19 11PX 0.01079 0.01704 -0.06171 0.01350 0.05066
|
|
20 11PY -0.05524 -0.23238 -0.00529 0.13610 0.06145
|
|
21 11PZ -0.02223 -0.02441 -0.03378 0.04704 0.00283
|
|
22 12D 0 -0.03948 0.00924 0.01558 -0.03586 0.03032
|
|
23 12D+1 -0.01187 0.00149 -0.03485 -0.00627 -0.03286
|
|
24 12D-1 0.02437 -0.01977 0.00655 -0.02225 -0.01270
|
|
25 12D+2 -0.07379 0.02213 0.02574 -0.03947 0.03490
|
|
26 12D-2 0.10876 -0.00832 -0.03646 -0.02803 0.08799
|
|
27 13D 0 0.03489 0.03609 -0.01860 -0.02683 -0.01394
|
|
28 13D+1 0.07917 -0.01812 0.09501 -0.13349 -0.02952
|
|
29 13D-1 -0.02239 0.00345 -0.01527 -0.06759 0.01069
|
|
30 13D+2 0.11377 0.03367 0.04576 -0.15112 -0.09979
|
|
31 13D-2 0.00425 0.02982 0.01420 -0.07374 -0.03285
|
|
32 14D 0 -0.08820 -0.19306 0.00409 0.12662 -0.07261
|
|
33 14D+1 -0.33805 0.29474 -0.44669 0.39156 0.02605
|
|
34 14D-1 0.12186 -0.00688 0.00078 0.35279 0.00470
|
|
35 14D+2 -0.33385 -0.00695 -0.41116 0.51829 0.18800
|
|
36 14D-2 -0.09262 -0.10980 -0.05028 0.37904 0.01478
|
|
37 15D 0 -0.06439 -0.43941 0.10470 0.14597 -0.01326
|
|
38 15D+1 -0.34103 0.04446 -0.34737 0.26405 0.18689
|
|
39 15D-1 -0.15505 0.22001 -0.14106 0.38674 0.15099
|
|
40 15D+2 -0.23077 -0.67014 -0.12522 0.65468 0.28253
|
|
41 15D-2 -0.74676 -0.04054 -0.20511 0.67555 -0.02420
|
|
42 16F 0 -0.00274 -0.04533 0.16441 -0.08877 -0.07509
|
|
43 16F+1 -0.04231 -0.04181 -0.11851 0.05128 0.06319
|
|
44 16F-1 0.11764 0.12700 -0.33133 -0.07823 -0.40715
|
|
45 16F+2 -0.05667 0.10705 0.06987 0.10537 0.01931
|
|
46 16F-2 -0.01825 -0.15757 0.37449 0.24733 0.26553
|
|
47 16F+3 -0.13801 -0.11254 -0.09151 0.12000 0.11632
|
|
48 16F-3 0.23179 0.04871 -0.33898 -0.10708 -0.10489
|
|
49 17F 0 0.02662 0.00728 -0.06810 0.04074 0.05625
|
|
50 17F+1 -0.01729 0.04491 0.04096 -0.01877 -0.07656
|
|
51 17F-1 -0.06094 -0.07375 0.23732 0.09001 0.29531
|
|
52 17F+2 -0.05491 -0.01097 -0.15227 -0.02947 -0.03650
|
|
53 17F-2 0.06432 0.10097 -0.29052 -0.10582 -0.16663
|
|
54 17F+3 0.03034 0.13910 -0.02052 -0.06541 -0.04796
|
|
55 17F-3 -0.10872 -0.02169 0.21251 0.13690 0.11191
|
|
56 18F 0 0.04083 0.06909 0.19054 -0.08718 -0.04712
|
|
57 18F+1 -0.25900 -0.00761 -0.10445 0.10092 -0.06439
|
|
58 18F-1 0.04734 0.30779 -0.16810 -0.16074 -0.05616
|
|
59 18F+2 -0.29817 0.17443 -0.25368 0.35449 0.12002
|
|
60 18F-2 -0.11649 -0.03017 -0.00585 0.47232 0.09815
|
|
61 18F+3 -0.59808 0.05562 -0.22229 0.27232 0.11996
|
|
62 18F-3 -0.08001 0.32725 -0.18309 0.26286 -0.06644
|
|
63 19G 0 0.07967 -0.17152 -0.18489 0.09692 0.09144
|
|
64 19G+1 -0.06374 0.11354 -0.22636 -0.16146 0.14728
|
|
65 19G-1 -0.37221 0.36485 -0.18732 0.30641 0.09936
|
|
66 19G+2 0.21329 -0.28953 0.00817 -0.11370 0.03757
|
|
67 19G-2 -0.13172 0.02331 0.24926 0.26014 -0.44984
|
|
68 19G+3 0.05201 0.21196 0.23967 -0.32944 0.15613
|
|
69 19G-3 0.45920 -0.27130 -0.10660 -0.26079 0.23903
|
|
70 19G+4 0.08729 -0.30588 -0.10655 0.07100 -0.29531
|
|
71 19G-4 -0.27647 0.35598 -0.11653 -0.22444 0.11727
|
|
72 20G 0 -0.01011 0.15908 0.10978 -0.09794 -0.01430
|
|
73 20G+1 0.00157 -0.02488 0.12529 0.07843 -0.07827
|
|
74 20G-1 0.18169 -0.18697 0.07828 -0.15899 -0.02006
|
|
75 20G+2 -0.18767 0.20803 -0.09358 0.05464 -0.06605
|
|
76 20G-2 0.12864 0.00728 -0.15103 -0.02321 0.28933
|
|
77 20G+3 -0.19333 -0.05187 -0.28465 0.23267 -0.03058
|
|
78 20G-3 -0.21597 0.12711 0.00778 0.32750 -0.08268
|
|
79 20G+4 -0.12871 0.32050 -0.07507 0.00110 0.22760
|
|
80 20G-4 0.19316 -0.15404 0.00710 0.24871 0.03768
|
|
81 21H 0 0.00800 -0.01455 0.00540 -0.02201 -0.01508
|
|
82 21H+1 -0.05036 0.08278 -0.04828 0.07308 0.07673
|
|
83 21H-1 -0.01070 -0.04722 -0.00120 0.02529 0.01052
|
|
84 21H+2 -0.03306 0.01449 -0.00103 0.02652 -0.02761
|
|
85 21H-2 0.03786 0.01051 0.01244 0.02950 0.07349
|
|
86 21H+3 -0.01064 -0.04179 -0.06695 -0.01698 0.03431
|
|
87 21H-3 0.02637 -0.02937 0.00890 0.09799 0.02233
|
|
88 21H+4 -0.03392 0.04658 -0.07552 0.04860 0.06409
|
|
89 21H-4 0.02333 0.00992 0.05892 0.11373 0.05430
|
|
90 21H+5 0.01709 0.04287 -0.09546 0.00372 0.14450
|
|
91 21H-5 -0.01252 -0.06391 -0.00375 0.10294 0.05163
|
|
92 2 O 1S 0.00232 -0.00312 -0.00575 -0.00578 -0.00241
|
|
93 2S -0.01460 0.01344 0.02917 0.03525 0.02621
|
|
94 3S -0.14649 0.00528 0.07685 0.10519 0.18669
|
|
95 4S 0.73116 0.71804 0.41416 0.16329 -0.61234
|
|
96 5S -0.67527 -2.41946 -0.72552 0.49236 0.70325
|
|
97 6S -0.30734 -1.49229 -0.51574 0.24999 0.10497
|
|
98 7PX 0.01450 0.09180 0.11376 0.20616 -0.13082
|
|
99 7PY -0.06345 -0.10470 0.01387 0.28934 0.06933
|
|
100 7PZ -0.06835 -0.04722 -0.07136 -0.07738 0.06605
|
|
101 8PX -0.14009 -0.29029 -0.38614 -0.58232 0.31246
|
|
102 8PY 0.13178 0.31480 -0.04222 -0.70843 -0.11504
|
|
103 8PZ 0.23182 0.15748 0.25605 0.25291 -0.15333
|
|
104 9PX 0.18855 0.78604 0.64832 0.54810 -0.17674
|
|
105 9PY -0.29160 -0.46030 0.16606 0.84505 0.15804
|
|
106 9PZ -0.28468 -0.50611 -0.44926 -0.14916 0.04439
|
|
107 10PX -0.05286 0.18722 0.50710 0.60669 -0.53839
|
|
108 10PY 0.26292 -1.82566 0.07927 1.70650 -0.30100
|
|
109 10PZ -0.39847 0.17842 -0.35687 -0.24490 0.14897
|
|
110 11PX -0.01079 0.01704 0.06171 0.01350 -0.05066
|
|
111 11PY 0.05524 -0.23238 0.00529 0.13610 -0.06145
|
|
112 11PZ -0.02223 0.02441 -0.03378 -0.04704 0.00283
|
|
113 12D 0 -0.03948 -0.00924 0.01558 0.03586 0.03032
|
|
114 12D+1 0.01187 0.00149 0.03485 -0.00627 0.03286
|
|
115 12D-1 -0.02437 -0.01977 -0.00655 -0.02225 0.01270
|
|
116 12D+2 -0.07379 -0.02213 0.02574 0.03947 0.03490
|
|
117 12D-2 0.10876 0.00832 -0.03646 0.02803 0.08799
|
|
118 13D 0 0.03489 -0.03609 -0.01860 0.02683 -0.01394
|
|
119 13D+1 -0.07917 -0.01812 -0.09501 -0.13349 0.02952
|
|
120 13D-1 0.02239 0.00345 0.01527 -0.06759 -0.01069
|
|
121 13D+2 0.11377 -0.03367 0.04576 0.15112 -0.09979
|
|
122 13D-2 0.00425 -0.02982 0.01420 0.07374 -0.03285
|
|
123 14D 0 -0.08820 0.19306 0.00409 -0.12662 -0.07261
|
|
124 14D+1 0.33805 0.29474 0.44669 0.39156 -0.02605
|
|
125 14D-1 -0.12186 -0.00688 -0.00078 0.35279 -0.00470
|
|
126 14D+2 -0.33385 0.00695 -0.41116 -0.51829 0.18800
|
|
127 14D-2 -0.09262 0.10980 -0.05028 -0.37904 0.01478
|
|
128 15D 0 -0.06439 0.43941 0.10470 -0.14597 -0.01326
|
|
129 15D+1 0.34103 0.04446 0.34737 0.26405 -0.18689
|
|
130 15D-1 0.15505 0.22001 0.14106 0.38674 -0.15099
|
|
131 15D+2 -0.23077 0.67014 -0.12522 -0.65468 0.28253
|
|
132 15D-2 -0.74676 0.04054 -0.20511 -0.67555 -0.02420
|
|
133 16F 0 -0.00274 0.04533 0.16441 0.08877 -0.07509
|
|
134 16F+1 0.04231 -0.04181 0.11851 0.05128 -0.06319
|
|
135 16F-1 -0.11764 0.12700 0.33133 -0.07823 0.40715
|
|
136 16F+2 -0.05667 -0.10705 0.06987 -0.10537 0.01931
|
|
137 16F-2 -0.01825 0.15757 0.37449 -0.24733 0.26553
|
|
138 16F+3 0.13801 -0.11254 0.09151 0.12000 -0.11632
|
|
139 16F-3 -0.23179 0.04871 0.33898 -0.10708 0.10489
|
|
140 17F 0 0.02662 -0.00728 -0.06810 -0.04074 0.05625
|
|
141 17F+1 0.01729 0.04491 -0.04096 -0.01877 0.07656
|
|
142 17F-1 0.06094 -0.07375 -0.23732 0.09001 -0.29531
|
|
143 17F+2 -0.05491 0.01097 -0.15227 0.02947 -0.03650
|
|
144 17F-2 0.06432 -0.10097 -0.29052 0.10582 -0.16663
|
|
145 17F+3 -0.03034 0.13910 0.02052 -0.06541 0.04796
|
|
146 17F-3 0.10872 -0.02169 -0.21251 0.13690 -0.11191
|
|
147 18F 0 0.04083 -0.06909 0.19054 0.08718 -0.04712
|
|
148 18F+1 0.25900 -0.00761 0.10445 0.10092 0.06439
|
|
149 18F-1 -0.04734 0.30779 0.16810 -0.16074 0.05616
|
|
150 18F+2 -0.29817 -0.17443 -0.25368 -0.35449 0.12002
|
|
151 18F-2 -0.11649 0.03017 -0.00585 -0.47232 0.09815
|
|
152 18F+3 0.59808 0.05562 0.22229 0.27232 -0.11996
|
|
153 18F-3 0.08001 0.32725 0.18309 0.26286 0.06644
|
|
154 19G 0 0.07967 0.17152 -0.18489 -0.09692 0.09144
|
|
155 19G+1 0.06374 0.11354 0.22636 -0.16146 -0.14728
|
|
156 19G-1 0.37221 0.36485 0.18732 0.30641 -0.09936
|
|
157 19G+2 0.21329 0.28953 0.00817 0.11370 0.03757
|
|
158 19G-2 -0.13172 -0.02331 0.24926 -0.26014 -0.44984
|
|
159 19G+3 -0.05201 0.21196 -0.23967 -0.32944 -0.15613
|
|
160 19G-3 -0.45920 -0.27130 0.10660 -0.26079 -0.23903
|
|
161 19G+4 0.08729 0.30588 -0.10655 -0.07100 -0.29531
|
|
162 19G-4 -0.27647 -0.35598 -0.11653 0.22444 0.11727
|
|
163 20G 0 -0.01011 -0.15908 0.10978 0.09794 -0.01430
|
|
164 20G+1 -0.00157 -0.02488 -0.12529 0.07843 0.07827
|
|
165 20G-1 -0.18169 -0.18697 -0.07828 -0.15899 0.02006
|
|
166 20G+2 -0.18767 -0.20803 -0.09358 -0.05464 -0.06605
|
|
167 20G-2 0.12864 -0.00728 -0.15103 0.02321 0.28933
|
|
168 20G+3 0.19333 -0.05187 0.28465 0.23267 0.03058
|
|
169 20G-3 0.21597 0.12711 -0.00778 0.32750 0.08268
|
|
170 20G+4 -0.12871 -0.32050 -0.07507 -0.00110 0.22760
|
|
171 20G-4 0.19316 0.15404 0.00710 -0.24871 0.03768
|
|
172 21H 0 0.00800 0.01455 0.00540 0.02201 -0.01508
|
|
173 21H+1 0.05036 0.08278 0.04828 0.07308 -0.07673
|
|
174 21H-1 0.01070 -0.04722 0.00120 0.02529 -0.01052
|
|
175 21H+2 -0.03306 -0.01449 -0.00103 -0.02652 -0.02761
|
|
176 21H-2 0.03786 -0.01051 0.01244 -0.02950 0.07349
|
|
177 21H+3 0.01064 -0.04179 0.06695 -0.01698 -0.03431
|
|
178 21H-3 -0.02637 -0.02937 -0.00890 0.09799 -0.02233
|
|
179 21H+4 -0.03392 -0.04658 -0.07552 -0.04860 0.06409
|
|
180 21H-4 0.02333 -0.00992 0.05892 -0.11373 0.05430
|
|
181 21H+5 -0.01709 0.04287 0.09546 0.00372 -0.14450
|
|
182 21H-5 0.01252 -0.06391 0.00375 0.10294 -0.05163
|
|
183 3 H 1S -0.24452 0.10030 -0.24490 0.30459 0.05796
|
|
184 2S 1.07896 -0.22534 1.00875 -1.50851 -0.33593
|
|
185 3S 0.32071 -0.74896 0.88372 -0.42778 -0.43223
|
|
186 4S 0.04368 -0.15120 0.03476 0.10292 -0.02340
|
|
187 5S 0.02603 0.00707 0.04959 -0.03498 -0.00632
|
|
188 6PX 0.30551 -0.15341 0.28272 -0.30686 0.01882
|
|
189 6PY 0.23988 0.03549 0.12785 -0.15033 -0.07127
|
|
190 6PZ 0.21654 -0.09719 0.19135 -0.15743 -0.02659
|
|
191 7PX -0.66708 0.25143 -0.67445 0.86964 0.08646
|
|
192 7PY -0.42154 -0.04867 -0.30719 0.34587 0.16826
|
|
193 7PZ -0.47360 0.15638 -0.45743 0.48869 0.11287
|
|
194 8PX 0.22927 0.39909 -0.04583 -0.31181 -0.10539
|
|
195 8PY 0.09708 0.32059 -0.03528 -0.94948 -0.08684
|
|
196 8PZ 0.28414 0.34249 -0.06970 -0.04347 0.13243
|
|
197 9PX -0.01516 0.07575 -0.00494 -0.06347 -0.01486
|
|
198 9PY 0.05798 0.14906 0.05892 -0.34989 -0.10623
|
|
199 9PZ 0.02672 0.07105 -0.01712 -0.01758 0.04256
|
|
200 10D 0 -0.03200 0.03127 -0.01030 0.06138 0.02036
|
|
201 10D+1 0.05354 0.03233 0.02665 -0.10995 -0.06838
|
|
202 10D-1 0.01210 0.02225 0.02617 -0.02535 -0.00173
|
|
203 10D+2 -0.02033 0.07598 -0.00028 -0.02752 -0.03038
|
|
204 10D-2 -0.01672 0.01613 0.05455 -0.04652 -0.04992
|
|
205 11D 0 0.03267 -0.09034 0.01350 -0.15579 -0.12611
|
|
206 11D+1 -0.05473 -0.14084 0.11806 0.05149 0.10225
|
|
207 11D-1 0.05526 -0.13206 0.10593 0.15539 -0.11190
|
|
208 11D+2 0.06611 -0.22645 0.09398 -0.17309 0.04756
|
|
209 11D-2 0.22289 -0.13192 0.10486 0.18840 0.06882
|
|
210 12D 0 0.00149 0.06727 0.00067 -0.20571 -0.09169
|
|
211 12D+1 -0.23744 -0.10121 -0.11056 0.21477 0.05730
|
|
212 12D-1 -0.07275 -0.14456 -0.01171 0.33278 0.00715
|
|
213 12D+2 -0.09917 0.07982 -0.09660 -0.00392 -0.00534
|
|
214 12D-2 -0.04735 -0.16489 -0.10138 0.34673 0.14916
|
|
215 13F 0 -0.01762 0.05228 -0.03726 0.04946 0.06114
|
|
216 13F+1 0.01987 0.00941 -0.00918 -0.01253 0.03713
|
|
217 13F-1 0.01053 0.04628 -0.02655 0.02793 0.01642
|
|
218 13F+2 0.02841 -0.00346 0.00193 -0.01284 -0.02481
|
|
219 13F-2 -0.05298 0.01616 -0.03398 -0.02704 0.02351
|
|
220 13F+3 0.04141 0.04633 -0.02063 0.07740 0.03323
|
|
221 13F-3 -0.07272 0.05687 -0.07910 -0.05460 0.00729
|
|
222 14F 0 -0.08027 -0.02290 0.01108 0.19215 0.10117
|
|
223 14F+1 0.02472 0.00042 0.00905 0.03572 -0.01438
|
|
224 14F-1 -0.00926 0.05104 -0.01352 -0.01408 0.10181
|
|
225 14F+2 0.06976 -0.01182 0.03525 -0.00802 -0.03605
|
|
226 14F-2 0.02716 0.09247 -0.01110 -0.15511 -0.02554
|
|
227 14F+3 -0.01306 -0.03057 -0.00281 0.08001 0.04455
|
|
228 14F-3 -0.10181 0.06623 0.04732 0.01526 -0.08692
|
|
229 15G 0 0.04088 -0.03704 0.03611 -0.06508 -0.07384
|
|
230 15G+1 0.04821 -0.04390 0.06693 -0.08810 -0.10563
|
|
231 15G-1 0.01968 -0.06476 0.02615 -0.06580 -0.02355
|
|
232 15G+2 -0.04386 0.03131 -0.02867 0.08320 -0.00841
|
|
233 15G-2 0.00129 -0.02922 -0.00364 -0.06065 0.00936
|
|
234 15G+3 -0.05157 0.02716 0.00521 0.01091 -0.03109
|
|
235 15G-3 0.04637 -0.01624 -0.01522 0.01290 0.02510
|
|
236 15G+4 -0.03028 -0.00276 0.03455 -0.06437 -0.06279
|
|
237 15G-4 0.10045 -0.06136 0.06531 0.00034 -0.01411
|
|
238 4 H 1S -0.24452 -0.10030 -0.24490 -0.30459 0.05796
|
|
239 2S 1.07896 0.22534 1.00875 1.50851 -0.33593
|
|
240 3S 0.32071 0.74896 0.88372 0.42778 -0.43223
|
|
241 4S 0.04368 0.15120 0.03476 -0.10292 -0.02340
|
|
242 5S 0.02603 -0.00707 0.04959 0.03498 -0.00632
|
|
243 6PX -0.30551 -0.15341 -0.28272 -0.30686 -0.01882
|
|
244 6PY -0.23988 0.03549 -0.12785 -0.15033 0.07127
|
|
245 6PZ 0.21654 0.09719 0.19135 0.15743 -0.02659
|
|
246 7PX 0.66708 0.25143 0.67445 0.86964 -0.08646
|
|
247 7PY 0.42154 -0.04867 0.30719 0.34587 -0.16826
|
|
248 7PZ -0.47360 -0.15638 -0.45743 -0.48869 0.11287
|
|
249 8PX -0.22927 0.39909 0.04583 -0.31181 0.10539
|
|
250 8PY -0.09708 0.32059 0.03528 -0.94948 0.08684
|
|
251 8PZ 0.28414 -0.34249 -0.06970 0.04347 0.13243
|
|
252 9PX 0.01516 0.07575 0.00494 -0.06347 0.01486
|
|
253 9PY -0.05798 0.14906 -0.05892 -0.34989 0.10623
|
|
254 9PZ 0.02672 -0.07105 -0.01712 0.01758 0.04256
|
|
255 10D 0 -0.03200 -0.03127 -0.01030 -0.06138 0.02036
|
|
256 10D+1 -0.05354 0.03233 -0.02665 -0.10995 0.06838
|
|
257 10D-1 -0.01210 0.02225 -0.02617 -0.02535 0.00173
|
|
258 10D+2 -0.02033 -0.07598 -0.00028 0.02752 -0.03038
|
|
259 10D-2 -0.01672 -0.01613 0.05455 0.04652 -0.04992
|
|
260 11D 0 0.03267 0.09034 0.01350 0.15579 -0.12611
|
|
261 11D+1 0.05473 -0.14084 -0.11806 0.05149 -0.10225
|
|
262 11D-1 -0.05526 -0.13206 -0.10593 0.15539 0.11190
|
|
263 11D+2 0.06611 0.22645 0.09398 0.17309 0.04756
|
|
264 11D-2 0.22289 0.13192 0.10486 -0.18840 0.06882
|
|
265 12D 0 0.00149 -0.06727 0.00067 0.20571 -0.09169
|
|
266 12D+1 0.23744 -0.10121 0.11056 0.21477 -0.05730
|
|
267 12D-1 0.07275 -0.14456 0.01171 0.33278 -0.00715
|
|
268 12D+2 -0.09917 -0.07982 -0.09660 0.00392 -0.00534
|
|
269 12D-2 -0.04735 0.16489 -0.10138 -0.34673 0.14916
|
|
270 13F 0 -0.01762 -0.05228 -0.03726 -0.04946 0.06114
|
|
271 13F+1 -0.01987 0.00941 0.00918 -0.01253 -0.03713
|
|
272 13F-1 -0.01053 0.04628 0.02655 0.02793 -0.01642
|
|
273 13F+2 0.02841 0.00346 0.00193 0.01284 -0.02481
|
|
274 13F-2 -0.05298 -0.01616 -0.03398 0.02704 0.02351
|
|
275 13F+3 -0.04141 0.04633 0.02063 0.07740 -0.03323
|
|
276 13F-3 0.07272 0.05687 0.07910 -0.05460 -0.00729
|
|
277 14F 0 -0.08027 0.02290 0.01108 -0.19215 0.10117
|
|
278 14F+1 -0.02472 0.00042 -0.00905 0.03572 0.01438
|
|
279 14F-1 0.00926 0.05104 0.01352 -0.01408 -0.10181
|
|
280 14F+2 0.06976 0.01182 0.03525 0.00802 -0.03605
|
|
281 14F-2 0.02716 -0.09247 -0.01110 0.15511 -0.02554
|
|
282 14F+3 0.01306 -0.03057 0.00281 0.08001 -0.04455
|
|
283 14F-3 0.10181 0.06623 -0.04732 0.01526 0.08692
|
|
284 15G 0 0.04088 0.03704 0.03611 0.06508 -0.07384
|
|
285 15G+1 -0.04821 -0.04390 -0.06693 -0.08810 0.10563
|
|
286 15G-1 -0.01968 -0.06476 -0.02615 -0.06580 0.02355
|
|
287 15G+2 -0.04386 -0.03131 -0.02867 -0.08320 -0.00841
|
|
288 15G-2 0.00129 0.02922 -0.00364 0.06065 0.00936
|
|
289 15G+3 0.05157 0.02716 -0.00521 0.01091 0.03109
|
|
290 15G-3 -0.04637 -0.01624 0.01522 0.01290 -0.02510
|
|
291 15G+4 -0.03028 0.00276 0.03455 0.06437 -0.06279
|
|
292 15G-4 0.10045 0.06136 0.06531 -0.00034 -0.01411
|
|
256 257 258 259 260
|
|
V V V V V
|
|
Eigenvalues -- 19.20228 19.27423 19.36426 19.47041 19.51015
|
|
1 1 O 1S 0.00124 0.00115 0.00173 0.00242 0.00019
|
|
2 2S -0.00783 0.01654 -0.03665 -0.03361 0.00892
|
|
3 3S -0.06021 0.10294 -0.18517 -0.11927 0.06494
|
|
4 4S 0.31727 -0.06062 -0.01042 -0.51559 -0.02357
|
|
5 5S -0.76861 -0.89177 1.16553 2.20145 -0.82285
|
|
6 6S -0.66442 -0.05277 0.50426 0.44314 -0.58573
|
|
7 7PX -0.00331 0.07648 -0.02456 0.10626 0.12247
|
|
8 7PY 0.03670 0.00181 0.02471 -0.08563 0.12871
|
|
9 7PZ -0.00508 0.02456 -0.02811 0.06770 0.08041
|
|
10 8PX -0.01764 -0.11520 -0.04154 -0.39939 -0.29121
|
|
11 8PY -0.10482 -0.01219 -0.05228 0.15653 -0.32629
|
|
12 8PZ 0.02314 -0.01476 0.02484 -0.27576 -0.18049
|
|
13 9PX 0.00024 -0.20243 0.54683 0.82837 0.11922
|
|
14 9PY 0.03992 0.03198 0.14587 -0.18515 0.40255
|
|
15 9PZ -0.06337 -0.24907 0.14500 0.66159 -0.09861
|
|
16 10PX 0.29583 -0.51157 0.03943 1.36530 0.23527
|
|
17 10PY 1.11549 -0.22781 -0.59163 0.58690 1.22573
|
|
18 10PZ -0.38974 -0.16048 0.18433 0.65977 1.10266
|
|
19 11PX 0.06621 0.01185 -0.06193 0.03725 -0.00837
|
|
20 11PY 0.18588 -0.03588 -0.12514 0.06105 0.10823
|
|
21 11PZ -0.00013 0.03624 -0.02739 0.02319 0.05608
|
|
22 12D 0 -0.04240 -0.01105 -0.07233 -0.01443 0.00615
|
|
23 12D+1 -0.02038 -0.07395 0.02967 0.06784 -0.00750
|
|
24 12D-1 -0.04887 0.02612 -0.04026 0.03596 0.07258
|
|
25 12D+2 0.02563 -0.00508 0.05349 0.00994 -0.04639
|
|
26 12D-2 -0.00581 0.07808 0.01122 0.09169 -0.04161
|
|
27 13D 0 -0.00462 -0.00176 0.05892 -0.01377 -0.04025
|
|
28 13D+1 -0.00474 0.01301 -0.00223 -0.08553 -0.04459
|
|
29 13D-1 0.00176 0.00550 0.01114 -0.00365 -0.01518
|
|
30 13D+2 -0.07233 -0.02248 0.01442 -0.08214 -0.08438
|
|
31 13D-2 0.01186 -0.03091 -0.04726 -0.02693 0.04474
|
|
32 14D 0 0.03594 0.03041 -0.21476 0.04230 0.17549
|
|
33 14D+1 0.01032 -0.16618 0.19450 0.50807 0.00472
|
|
34 14D-1 -0.01347 -0.08571 0.13287 0.05386 -0.02817
|
|
35 14D+2 0.29784 -0.08705 0.06124 0.44367 0.28046
|
|
36 14D-2 -0.09396 -0.07220 0.28869 0.16266 -0.11999
|
|
37 15D 0 0.27867 0.00333 -0.10556 0.13453 0.23533
|
|
38 15D+1 0.13417 -0.00063 -0.09923 0.34942 0.19494
|
|
39 15D-1 0.49731 -0.15716 -0.12794 0.15942 -0.69215
|
|
40 15D+2 0.48099 -0.19098 -0.40499 0.54257 0.55728
|
|
41 15D-2 -0.04331 0.06637 0.15021 -0.07217 0.25016
|
|
42 16F 0 0.19114 -0.17887 -0.22838 -0.29122 -0.32011
|
|
43 16F+1 -0.15004 0.06968 0.02995 0.01531 0.25891
|
|
44 16F-1 -0.02125 -0.01474 -0.03232 -0.11320 -0.25879
|
|
45 16F+2 0.17806 -0.24503 -0.20879 0.04953 -0.12096
|
|
46 16F-2 0.06478 0.14540 -0.09565 0.17529 -0.10459
|
|
47 16F+3 -0.00244 0.22796 0.09083 -0.09186 0.06203
|
|
48 16F-3 -0.08536 0.02780 0.06596 -0.23094 0.09429
|
|
49 17F 0 -0.16505 0.18355 0.09265 0.17853 0.33274
|
|
50 17F+1 0.07057 -0.09585 -0.05276 0.04966 -0.21290
|
|
51 17F-1 -0.00360 0.00998 0.04621 0.12518 0.23645
|
|
52 17F+2 -0.13328 0.12093 0.24181 0.07270 0.09843
|
|
53 17F-2 -0.09320 -0.09349 0.12860 -0.07667 0.07530
|
|
54 17F+3 0.04528 -0.19109 -0.00858 0.18381 -0.07749
|
|
55 17F-3 0.02186 -0.01431 0.00695 0.29548 -0.10487
|
|
56 18F 0 0.17773 -0.05489 -0.11678 -0.03655 -0.52226
|
|
57 18F+1 -0.01470 0.09328 -0.00881 0.07677 0.11560
|
|
58 18F-1 -0.26851 -0.10973 0.02890 -0.12108 -0.20428
|
|
59 18F+2 0.37505 -0.07768 -0.21938 0.30046 -0.38265
|
|
60 18F-2 0.00128 -0.19468 0.14059 0.29706 0.09113
|
|
61 18F+3 0.00527 0.01855 0.05077 -0.03954 0.21263
|
|
62 18F-3 -0.18617 0.03045 0.46313 0.03261 -0.14286
|
|
63 19G 0 0.62057 0.23344 0.11809 -0.06561 0.24000
|
|
64 19G+1 0.04221 0.17475 -0.36887 -0.29869 0.18678
|
|
65 19G-1 0.31819 0.12369 -0.10440 0.12827 -0.32425
|
|
66 19G+2 0.25416 -0.32097 0.14980 0.04288 0.17104
|
|
67 19G-2 -0.12574 0.44766 -0.15432 0.09567 0.13495
|
|
68 19G+3 0.13351 0.23364 0.11319 -0.46104 -0.03346
|
|
69 19G-3 0.12601 0.23491 -0.16591 0.14233 -0.26332
|
|
70 19G+4 -0.03477 0.13961 -0.54219 0.04587 0.05007
|
|
71 19G-4 0.14160 -0.07759 -0.23254 -0.32705 0.37692
|
|
72 20G 0 -0.39483 -0.08866 -0.08636 0.05426 -0.14522
|
|
73 20G+1 -0.04878 -0.06700 0.14731 0.27935 -0.06467
|
|
74 20G-1 -0.24328 -0.05719 0.04990 -0.04787 0.34927
|
|
75 20G+2 -0.19114 0.16436 -0.09494 0.03979 -0.18653
|
|
76 20G-2 0.02839 -0.29242 0.11058 -0.00328 0.01309
|
|
77 20G+3 -0.03320 -0.16113 -0.05894 0.49545 0.06179
|
|
78 20G-3 -0.15222 -0.12786 0.21272 0.02635 0.24305
|
|
79 20G+4 0.02695 -0.07115 0.38836 0.09551 0.03602
|
|
80 20G-4 -0.07145 0.09659 0.19042 0.44691 -0.21660
|
|
81 21H 0 -0.04905 -0.00663 -0.02344 -0.04441 0.04739
|
|
82 21H+1 -0.03196 0.01885 -0.00194 0.15284 0.05751
|
|
83 21H-1 0.07734 0.02415 0.02560 0.05532 0.06453
|
|
84 21H+2 -0.02283 0.03686 -0.01177 0.05074 0.04029
|
|
85 21H-2 -0.02618 0.01452 -0.00427 -0.03427 0.08512
|
|
86 21H+3 0.00270 0.01660 -0.03440 0.09255 -0.06989
|
|
87 21H-3 0.03015 -0.04833 0.03966 -0.00387 0.08733
|
|
88 21H+4 -0.01575 0.03187 -0.01647 0.11963 0.10318
|
|
89 21H-4 -0.01878 0.06504 0.05292 -0.02778 -0.00736
|
|
90 21H+5 0.01753 0.06602 0.00328 0.20234 0.06038
|
|
91 21H-5 -0.02618 0.03443 -0.05921 0.13621 0.00583
|
|
92 2 O 1S -0.00124 0.00115 -0.00173 0.00242 -0.00019
|
|
93 2S 0.00783 0.01654 0.03665 -0.03361 -0.00892
|
|
94 3S 0.06021 0.10294 0.18517 -0.11927 -0.06494
|
|
95 4S -0.31727 -0.06062 0.01042 -0.51559 0.02357
|
|
96 5S 0.76861 -0.89177 -1.16553 2.20145 0.82285
|
|
97 6S 0.66442 -0.05277 -0.50426 0.44314 0.58573
|
|
98 7PX -0.00331 -0.07648 -0.02456 -0.10626 0.12247
|
|
99 7PY 0.03670 -0.00181 0.02471 0.08563 0.12871
|
|
100 7PZ 0.00508 0.02456 0.02811 0.06770 -0.08041
|
|
101 8PX -0.01764 0.11520 -0.04154 0.39939 -0.29121
|
|
102 8PY -0.10482 0.01219 -0.05228 -0.15653 -0.32629
|
|
103 8PZ -0.02314 -0.01476 -0.02484 -0.27576 0.18049
|
|
104 9PX 0.00024 0.20243 0.54683 -0.82837 0.11922
|
|
105 9PY 0.03992 -0.03198 0.14587 0.18515 0.40255
|
|
106 9PZ 0.06337 -0.24907 -0.14500 0.66159 0.09861
|
|
107 10PX 0.29583 0.51157 0.03943 -1.36530 0.23527
|
|
108 10PY 1.11549 0.22781 -0.59163 -0.58690 1.22573
|
|
109 10PZ 0.38974 -0.16048 -0.18433 0.65977 -1.10266
|
|
110 11PX 0.06621 -0.01185 -0.06193 -0.03725 -0.00837
|
|
111 11PY 0.18588 0.03588 -0.12514 -0.06105 0.10823
|
|
112 11PZ 0.00013 0.03624 0.02739 0.02319 -0.05608
|
|
113 12D 0 0.04240 -0.01105 0.07233 -0.01443 -0.00615
|
|
114 12D+1 -0.02038 0.07395 0.02967 -0.06784 -0.00750
|
|
115 12D-1 -0.04887 -0.02612 -0.04026 -0.03596 0.07258
|
|
116 12D+2 -0.02563 -0.00508 -0.05349 0.00994 0.04639
|
|
117 12D-2 0.00581 0.07808 -0.01122 0.09169 0.04161
|
|
118 13D 0 0.00462 -0.00176 -0.05892 -0.01377 0.04025
|
|
119 13D+1 -0.00474 -0.01301 -0.00223 0.08553 -0.04459
|
|
120 13D-1 0.00176 -0.00550 0.01114 0.00365 -0.01518
|
|
121 13D+2 0.07233 -0.02248 -0.01442 -0.08214 0.08438
|
|
122 13D-2 -0.01186 -0.03091 0.04726 -0.02693 -0.04474
|
|
123 14D 0 -0.03594 0.03041 0.21476 0.04230 -0.17549
|
|
124 14D+1 0.01032 0.16618 0.19450 -0.50807 0.00472
|
|
125 14D-1 -0.01347 0.08571 0.13287 -0.05386 -0.02817
|
|
126 14D+2 -0.29784 -0.08705 -0.06124 0.44367 -0.28046
|
|
127 14D-2 0.09396 -0.07220 -0.28869 0.16266 0.11999
|
|
128 15D 0 -0.27867 0.00333 0.10556 0.13453 -0.23533
|
|
129 15D+1 0.13417 0.00063 -0.09923 -0.34942 0.19494
|
|
130 15D-1 0.49731 0.15716 -0.12794 -0.15942 -0.69215
|
|
131 15D+2 -0.48099 -0.19098 0.40499 0.54257 -0.55728
|
|
132 15D-2 0.04331 0.06637 -0.15021 -0.07217 -0.25016
|
|
133 16F 0 -0.19114 -0.17887 0.22838 -0.29122 0.32011
|
|
134 16F+1 -0.15004 -0.06968 0.02995 -0.01531 0.25891
|
|
135 16F-1 -0.02125 0.01474 -0.03232 0.11320 -0.25879
|
|
136 16F+2 -0.17806 -0.24503 0.20879 0.04953 0.12096
|
|
137 16F-2 -0.06478 0.14540 0.09565 0.17529 0.10459
|
|
138 16F+3 -0.00244 -0.22796 0.09083 0.09186 0.06203
|
|
139 16F-3 -0.08536 -0.02780 0.06596 0.23094 0.09429
|
|
140 17F 0 0.16505 0.18355 -0.09265 0.17853 -0.33274
|
|
141 17F+1 0.07057 0.09585 -0.05276 -0.04966 -0.21290
|
|
142 17F-1 -0.00360 -0.00998 0.04621 -0.12518 0.23645
|
|
143 17F+2 0.13328 0.12093 -0.24181 0.07270 -0.09843
|
|
144 17F-2 0.09320 -0.09349 -0.12860 -0.07667 -0.07530
|
|
145 17F+3 0.04528 0.19109 -0.00858 -0.18381 -0.07749
|
|
146 17F-3 0.02186 0.01431 0.00695 -0.29548 -0.10487
|
|
147 18F 0 -0.17773 -0.05489 0.11678 -0.03655 0.52226
|
|
148 18F+1 -0.01470 -0.09328 -0.00881 -0.07677 0.11560
|
|
149 18F-1 -0.26851 0.10973 0.02890 0.12108 -0.20428
|
|
150 18F+2 -0.37505 -0.07768 0.21938 0.30046 0.38265
|
|
151 18F-2 -0.00128 -0.19468 -0.14059 0.29706 -0.09113
|
|
152 18F+3 0.00527 -0.01855 0.05077 0.03954 0.21263
|
|
153 18F-3 -0.18617 -0.03045 0.46313 -0.03261 -0.14286
|
|
154 19G 0 -0.62057 0.23344 -0.11809 -0.06561 -0.24000
|
|
155 19G+1 0.04221 -0.17475 -0.36887 0.29869 0.18678
|
|
156 19G-1 0.31819 -0.12369 -0.10440 -0.12827 -0.32425
|
|
157 19G+2 -0.25416 -0.32097 -0.14980 0.04288 -0.17104
|
|
158 19G-2 0.12574 0.44766 0.15432 0.09567 -0.13495
|
|
159 19G+3 0.13351 -0.23364 0.11319 0.46104 -0.03346
|
|
160 19G-3 0.12601 -0.23491 -0.16591 -0.14233 -0.26332
|
|
161 19G+4 0.03477 0.13961 0.54219 0.04587 -0.05007
|
|
162 19G-4 -0.14160 -0.07759 0.23254 -0.32705 -0.37692
|
|
163 20G 0 0.39483 -0.08866 0.08636 0.05426 0.14522
|
|
164 20G+1 -0.04878 0.06700 0.14731 -0.27935 -0.06467
|
|
165 20G-1 -0.24328 0.05719 0.04990 0.04787 0.34927
|
|
166 20G+2 0.19114 0.16436 0.09494 0.03979 0.18653
|
|
167 20G-2 -0.02839 -0.29242 -0.11058 -0.00328 -0.01309
|
|
168 20G+3 -0.03320 0.16113 -0.05894 -0.49545 0.06179
|
|
169 20G-3 -0.15222 0.12786 0.21272 -0.02635 0.24305
|
|
170 20G+4 -0.02695 -0.07115 -0.38836 0.09551 -0.03602
|
|
171 20G-4 0.07145 0.09659 -0.19042 0.44691 0.21660
|
|
172 21H 0 0.04905 -0.00663 0.02344 -0.04441 -0.04739
|
|
173 21H+1 -0.03196 -0.01885 -0.00194 -0.15284 0.05751
|
|
174 21H-1 0.07734 -0.02415 0.02560 -0.05532 0.06453
|
|
175 21H+2 0.02283 0.03686 0.01177 0.05074 -0.04029
|
|
176 21H-2 0.02618 0.01452 0.00427 -0.03427 -0.08512
|
|
177 21H+3 0.00270 -0.01660 -0.03440 -0.09255 -0.06989
|
|
178 21H-3 0.03015 0.04833 0.03966 0.00387 0.08733
|
|
179 21H+4 0.01575 0.03187 0.01647 0.11963 -0.10318
|
|
180 21H-4 0.01878 0.06504 -0.05292 -0.02778 0.00736
|
|
181 21H+5 0.01753 -0.06602 0.00328 -0.20234 0.06038
|
|
182 21H-5 -0.02618 -0.03443 -0.05921 -0.13621 0.00583
|
|
183 3 H 1S 0.01290 -0.06150 0.11887 0.23620 0.04644
|
|
184 2S -0.12618 0.07663 -0.35804 -0.86359 -0.25921
|
|
185 3S -0.12959 0.91932 -0.38043 -1.98904 -0.42381
|
|
186 4S -0.30128 -0.01500 0.12050 -0.17167 0.26876
|
|
187 5S -0.02258 0.02607 0.01446 -0.03499 -0.03456
|
|
188 6PX -0.00899 0.10771 -0.13887 -0.22936 0.00715
|
|
189 6PY -0.02223 0.01287 0.05016 -0.08148 -0.13723
|
|
190 6PZ -0.00920 0.04050 -0.11775 -0.12102 -0.03348
|
|
191 7PX 0.06544 -0.16518 0.31524 0.59787 0.03994
|
|
192 7PY 0.04184 0.00200 -0.05967 0.27213 0.25611
|
|
193 7PZ 0.02243 -0.05774 0.22117 0.35346 0.11412
|
|
194 8PX -0.13866 -0.37674 0.26498 0.62064 -0.06248
|
|
195 8PY 0.13958 0.00197 -0.30374 -0.01996 -0.20171
|
|
196 8PZ 0.02382 -0.33343 0.33503 0.40401 -0.10082
|
|
197 9PX 0.08462 -0.05858 -0.00188 0.13211 -0.09568
|
|
198 9PY 0.09221 0.03506 -0.04798 -0.03077 -0.18677
|
|
199 9PZ 0.10388 -0.10366 0.01984 0.09067 -0.08894
|
|
200 10D 0 0.02106 0.00303 0.04330 0.04183 -0.00476
|
|
201 10D+1 -0.00999 -0.03408 0.02693 -0.04883 -0.04204
|
|
202 10D-1 -0.02012 -0.04723 -0.02222 -0.07492 0.00835
|
|
203 10D+2 -0.02336 -0.03380 0.02848 0.04676 -0.00515
|
|
204 10D-2 0.02325 -0.00286 -0.00317 -0.06479 -0.04545
|
|
205 11D 0 -0.02487 -0.02033 -0.15740 -0.15005 0.00436
|
|
206 11D+1 -0.00273 0.16069 -0.22972 -0.12028 0.13084
|
|
207 11D-1 -0.01854 0.13699 0.05523 0.05052 -0.13291
|
|
208 11D+2 0.10063 0.16757 -0.25678 -0.37283 0.04217
|
|
209 11D-2 -0.08928 -0.03107 0.09717 -0.16278 0.09299
|
|
210 12D 0 -0.00981 0.05953 -0.10156 -0.07015 -0.05138
|
|
211 12D+1 -0.00560 0.04269 -0.07476 0.07528 0.12543
|
|
212 12D-1 -0.09640 0.11228 0.02383 0.06428 0.15419
|
|
213 12D+2 0.14050 0.09300 -0.04923 -0.04717 -0.04688
|
|
214 12D-2 -0.02260 -0.05542 0.04978 0.06709 0.18406
|
|
215 13F 0 0.01744 0.06503 -0.01816 0.08266 0.06257
|
|
216 13F+1 0.01346 0.00515 0.04799 0.02483 -0.03116
|
|
217 13F-1 -0.00039 0.00761 0.02517 0.01214 0.04274
|
|
218 13F+2 0.00290 -0.02983 0.06536 0.06105 -0.06933
|
|
219 13F-2 0.02088 -0.01007 -0.01366 0.04476 0.05792
|
|
220 13F+3 -0.02737 0.01887 0.02980 0.11122 0.03981
|
|
221 13F-3 0.02850 -0.00937 -0.01670 0.11370 -0.01504
|
|
222 14F 0 -0.01803 0.02720 0.07857 0.16802 0.05965
|
|
223 14F+1 0.02522 -0.00237 0.06894 0.02657 -0.05085
|
|
224 14F-1 0.02477 -0.12972 0.03824 -0.04168 0.10849
|
|
225 14F+2 -0.00929 0.01077 0.07973 -0.00971 -0.03303
|
|
226 14F-2 0.03377 -0.08837 0.03087 -0.07094 -0.05871
|
|
227 14F+3 -0.11495 -0.09930 0.05653 0.12829 0.05711
|
|
228 14F-3 -0.02010 0.02624 0.00457 0.06891 -0.08482
|
|
229 15G 0 -0.03212 -0.06743 0.04289 -0.07858 -0.07783
|
|
230 15G+1 -0.05616 -0.08755 0.00948 -0.11350 -0.08675
|
|
231 15G-1 -0.01353 -0.03010 -0.00628 -0.02887 -0.06210
|
|
232 15G+2 -0.03423 -0.00489 -0.07571 0.00841 0.10403
|
|
233 15G-2 -0.00989 0.00067 -0.02445 0.00095 -0.05427
|
|
234 15G+3 -0.00413 -0.02685 -0.01920 -0.07836 0.00799
|
|
235 15G-3 -0.03554 0.02922 -0.01819 -0.00018 -0.00846
|
|
236 15G+4 0.06253 -0.05855 0.05484 -0.11634 -0.09228
|
|
237 15G-4 -0.01612 0.01650 0.01963 -0.07081 -0.01233
|
|
238 4 H 1S -0.01290 -0.06150 -0.11887 0.23620 -0.04644
|
|
239 2S 0.12618 0.07663 0.35804 -0.86359 0.25921
|
|
240 3S 0.12959 0.91932 0.38043 -1.98904 0.42381
|
|
241 4S 0.30128 -0.01500 -0.12050 -0.17167 -0.26876
|
|
242 5S 0.02258 0.02607 -0.01446 -0.03499 0.03456
|
|
243 6PX -0.00899 -0.10771 -0.13887 0.22936 0.00715
|
|
244 6PY -0.02223 -0.01287 0.05016 0.08148 -0.13723
|
|
245 6PZ 0.00920 0.04050 0.11775 -0.12102 0.03348
|
|
246 7PX 0.06544 0.16518 0.31524 -0.59787 0.03994
|
|
247 7PY 0.04184 -0.00200 -0.05967 -0.27213 0.25611
|
|
248 7PZ -0.02243 -0.05774 -0.22117 0.35346 -0.11412
|
|
249 8PX -0.13866 0.37674 0.26498 -0.62064 -0.06248
|
|
250 8PY 0.13958 -0.00197 -0.30374 0.01996 -0.20171
|
|
251 8PZ -0.02382 -0.33343 -0.33503 0.40401 0.10082
|
|
252 9PX 0.08462 0.05858 -0.00188 -0.13211 -0.09568
|
|
253 9PY 0.09221 -0.03506 -0.04798 0.03077 -0.18677
|
|
254 9PZ -0.10388 -0.10366 -0.01984 0.09067 0.08894
|
|
255 10D 0 -0.02106 0.00303 -0.04330 0.04183 0.00476
|
|
256 10D+1 -0.00999 0.03408 0.02693 0.04883 -0.04204
|
|
257 10D-1 -0.02012 0.04723 -0.02222 0.07492 0.00835
|
|
258 10D+2 0.02336 -0.03380 -0.02848 0.04676 0.00515
|
|
259 10D-2 -0.02325 -0.00286 0.00317 -0.06479 0.04545
|
|
260 11D 0 0.02487 -0.02033 0.15740 -0.15005 -0.00436
|
|
261 11D+1 -0.00273 -0.16069 -0.22972 0.12028 0.13084
|
|
262 11D-1 -0.01854 -0.13699 0.05523 -0.05052 -0.13291
|
|
263 11D+2 -0.10063 0.16757 0.25678 -0.37283 -0.04217
|
|
264 11D-2 0.08928 -0.03107 -0.09717 -0.16278 -0.09299
|
|
265 12D 0 0.00981 0.05953 0.10156 -0.07015 0.05138
|
|
266 12D+1 -0.00560 -0.04269 -0.07476 -0.07528 0.12543
|
|
267 12D-1 -0.09640 -0.11228 0.02383 -0.06428 0.15419
|
|
268 12D+2 -0.14050 0.09300 0.04923 -0.04717 0.04688
|
|
269 12D-2 0.02260 -0.05542 -0.04978 0.06709 -0.18406
|
|
270 13F 0 -0.01744 0.06503 0.01816 0.08266 -0.06257
|
|
271 13F+1 0.01346 -0.00515 0.04799 -0.02483 -0.03116
|
|
272 13F-1 -0.00039 -0.00761 0.02517 -0.01214 0.04274
|
|
273 13F+2 -0.00290 -0.02983 -0.06536 0.06105 0.06933
|
|
274 13F-2 -0.02088 -0.01007 0.01366 0.04476 -0.05792
|
|
275 13F+3 -0.02737 -0.01887 0.02980 -0.11122 0.03981
|
|
276 13F-3 0.02850 0.00937 -0.01670 -0.11370 -0.01504
|
|
277 14F 0 0.01803 0.02720 -0.07857 0.16802 -0.05965
|
|
278 14F+1 0.02522 0.00237 0.06894 -0.02657 -0.05085
|
|
279 14F-1 0.02477 0.12972 0.03824 0.04168 0.10849
|
|
280 14F+2 0.00929 0.01077 -0.07973 -0.00971 0.03303
|
|
281 14F-2 -0.03377 -0.08837 -0.03087 -0.07094 0.05871
|
|
282 14F+3 -0.11495 0.09930 0.05653 -0.12829 0.05711
|
|
283 14F-3 -0.02010 -0.02624 0.00457 -0.06891 -0.08482
|
|
284 15G 0 0.03212 -0.06743 -0.04289 -0.07858 0.07783
|
|
285 15G+1 -0.05616 0.08755 0.00948 0.11350 -0.08675
|
|
286 15G-1 -0.01353 0.03010 -0.00628 0.02887 -0.06210
|
|
287 15G+2 0.03423 -0.00489 0.07571 0.00841 -0.10403
|
|
288 15G-2 0.00989 0.00067 0.02445 0.00095 0.05427
|
|
289 15G+3 -0.00413 0.02685 -0.01920 0.07836 0.00799
|
|
290 15G-3 -0.03554 -0.02922 -0.01819 0.00018 -0.00846
|
|
291 15G+4 -0.06253 -0.05855 -0.05484 -0.11634 0.09228
|
|
292 15G-4 0.01612 0.01650 -0.01963 -0.07081 0.01233
|
|
261 262 263 264 265
|
|
V V V V V
|
|
Eigenvalues -- 19.55770 19.67750 19.70147 19.90053 19.92017
|
|
1 1 O 1S -0.00688 -0.00034 0.00804 0.00003 0.00027
|
|
2 2S 0.03384 0.02315 -0.00292 0.00637 -0.00043
|
|
3 3S 0.17702 0.08804 -0.00092 0.05151 0.00603
|
|
4 4S -0.30010 0.18534 0.19137 -0.17945 -0.17560
|
|
5 5S 0.25678 -0.63057 -1.18040 0.16445 0.71104
|
|
6 6S 0.46399 -0.23524 -1.37235 -0.26769 0.25502
|
|
7 7PX -0.00107 -0.03973 -0.04014 -0.04692 -0.03098
|
|
8 7PY 0.01372 -0.03752 -0.05064 -0.06599 -0.09172
|
|
9 7PZ 0.04782 -0.10310 0.05214 0.08057 0.02462
|
|
10 8PX -0.03196 0.16605 0.24743 0.10529 0.05476
|
|
11 8PY -0.09927 0.15247 0.27070 0.18594 0.20766
|
|
12 8PZ -0.12679 0.28323 -0.02695 -0.15939 -0.05523
|
|
13 9PX 0.14499 -0.33842 -1.14960 -0.30034 0.07488
|
|
14 9PY 0.48679 -0.40830 -1.10577 -0.45119 -0.19046
|
|
15 9PZ 0.25691 -0.40235 -0.51296 0.00326 0.15959
|
|
16 10PX 1.05465 -0.20762 -0.80566 0.16224 0.02843
|
|
17 10PY -0.29241 -0.19095 0.63101 0.48009 -0.54319
|
|
18 10PZ 0.14383 -0.18273 -0.56795 0.06292 -0.19191
|
|
19 11PX 0.05197 0.00824 -0.08716 0.02286 0.00966
|
|
20 11PY -0.06348 0.02063 0.13872 0.10354 -0.04944
|
|
21 11PZ 0.02619 -0.00406 -0.11255 -0.02095 -0.02964
|
|
22 12D 0 0.00449 0.04832 -0.08219 -0.11527 -0.01809
|
|
23 12D+1 -0.01414 -0.00776 -0.07462 -0.03828 -0.02104
|
|
24 12D-1 -0.03473 -0.14150 0.00284 -0.02481 0.03071
|
|
25 12D+2 0.13183 0.03379 -0.13951 0.04872 0.02444
|
|
26 12D-2 0.01366 -0.08471 -0.04785 0.00191 0.05938
|
|
27 13D 0 -0.02510 0.00805 0.06098 0.06852 0.02504
|
|
28 13D+1 0.00308 0.03795 0.03276 0.00515 0.01751
|
|
29 13D-1 0.06328 0.07346 0.05508 0.00835 -0.05879
|
|
30 13D+2 -0.09219 0.03826 0.13002 -0.02283 0.01709
|
|
31 13D-2 0.01357 0.09422 0.00722 0.03033 -0.00132
|
|
32 14D 0 0.09590 -0.09355 -0.14853 -0.12946 -0.12788
|
|
33 14D+1 0.07333 -0.21120 -0.49088 -0.08636 0.03828
|
|
34 14D-1 -0.20616 -0.17495 -0.35376 -0.01501 0.18325
|
|
35 14D+2 0.30338 -0.20904 -0.77151 -0.08676 -0.04112
|
|
36 14D-2 -0.02136 -0.44411 -0.07342 -0.11079 -0.07501
|
|
37 15D 0 -0.15145 0.05444 0.33424 0.23703 0.02862
|
|
38 15D+1 0.22070 -0.10073 -0.18723 0.20628 0.03062
|
|
39 15D-1 0.06147 -0.14827 0.14440 0.18678 0.13876
|
|
40 15D+2 -0.19660 0.00881 0.37561 0.24369 -0.25604
|
|
41 15D-2 -0.65064 -0.20497 0.01908 0.04508 -0.17667
|
|
42 16F 0 -0.03594 0.13985 0.40481 0.30582 0.23747
|
|
43 16F+1 -0.26080 0.21378 -0.23732 -0.10792 0.01408
|
|
44 16F-1 0.40345 -0.10537 0.15782 -0.46563 -0.56739
|
|
45 16F+2 0.32651 -0.38756 0.15110 0.22013 0.14508
|
|
46 16F-2 -0.13182 -0.16190 0.28953 -0.26370 -0.20903
|
|
47 16F+3 -0.21320 0.52190 0.08539 0.04242 -0.20371
|
|
48 16F-3 -0.11528 0.03516 -0.26984 0.40235 0.49965
|
|
49 17F 0 0.00000 -0.13217 -0.30187 -0.33496 -0.25790
|
|
50 17F+1 0.19656 -0.20100 0.14110 0.00010 -0.05312
|
|
51 17F-1 -0.40970 0.04938 -0.11557 0.44856 0.56369
|
|
52 17F+2 -0.25717 0.27938 -0.29769 -0.23816 -0.14363
|
|
53 17F-2 0.08871 0.00381 -0.32852 0.23471 0.24867
|
|
54 17F+3 0.24737 -0.48238 -0.18536 0.00734 0.20896
|
|
55 17F-3 0.04202 -0.18172 0.26958 -0.38385 -0.46008
|
|
56 18F 0 0.09585 0.08973 0.16297 0.15724 0.15622
|
|
57 18F+1 -0.10606 0.00359 -0.03049 0.08895 0.03144
|
|
58 18F-1 0.20481 -0.14849 -0.26651 -0.13516 -0.09992
|
|
59 18F+2 0.20928 -0.13668 0.04482 0.17884 0.13293
|
|
60 18F-2 -0.23226 -0.23827 0.05646 -0.05710 -0.11669
|
|
61 18F+3 -0.41933 0.04239 -0.07939 0.00246 -0.12279
|
|
62 18F-3 0.19552 -0.22107 -0.43355 0.00752 0.13986
|
|
63 19G 0 -0.15864 -0.04307 0.25440 0.11156 0.03368
|
|
64 19G+1 -0.06124 -0.00336 0.03957 -0.26353 -0.12051
|
|
65 19G-1 0.21906 0.29277 0.27574 0.21400 0.05549
|
|
66 19G+2 -0.28842 0.05600 0.11929 -0.15630 -0.11448
|
|
67 19G-2 -0.10665 0.08056 -0.05958 0.01618 0.12391
|
|
68 19G+3 0.30962 0.14077 -0.16145 -0.01021 -0.00080
|
|
69 19G-3 0.17243 -0.11472 0.16579 0.07076 0.13245
|
|
70 19G+4 -0.17860 0.20034 0.30788 0.06275 -0.02987
|
|
71 19G-4 -0.23519 0.02229 0.11064 -0.09580 -0.06577
|
|
72 20G 0 0.12878 -0.02418 -0.19239 -0.13610 -0.06451
|
|
73 20G+1 0.08783 -0.11514 -0.02705 0.07745 -0.00493
|
|
74 20G-1 -0.14466 -0.27939 -0.21589 -0.07603 0.02707
|
|
75 20G+2 0.21889 -0.04826 -0.05727 0.04884 -0.00398
|
|
76 20G-2 -0.01999 -0.13325 -0.13290 0.15040 0.12964
|
|
77 20G+3 -0.15993 -0.15421 0.02832 0.01520 -0.04085
|
|
78 20G-3 -0.12457 -0.15808 -0.18367 -0.06019 -0.10662
|
|
79 20G+4 0.14265 -0.24857 -0.35640 0.01980 0.10798
|
|
80 20G-4 0.25932 -0.19920 -0.15490 -0.06841 -0.10103
|
|
81 21H 0 -0.04625 -0.02415 -0.02805 -0.04555 0.00097
|
|
82 21H+1 0.06473 -0.15204 -0.09384 -0.09525 -0.06792
|
|
83 21H-1 -0.00424 -0.05496 0.01794 -0.02638 -0.03590
|
|
84 21H+2 0.05568 -0.15211 0.01084 -0.07935 -0.08145
|
|
85 21H-2 -0.04182 -0.07446 -0.12390 0.11228 0.16235
|
|
86 21H+3 0.05786 -0.02169 0.06175 -0.04395 -0.10168
|
|
87 21H-3 -0.09811 -0.04587 -0.08219 0.13337 0.13434
|
|
88 21H+4 -0.01500 -0.17105 -0.07193 -0.00233 -0.00359
|
|
89 21H-4 0.04258 -0.11641 -0.06902 -0.08972 -0.07234
|
|
90 21H+5 0.01446 -0.11682 -0.15450 0.08748 0.10155
|
|
91 21H-5 0.01417 -0.11754 -0.00574 -0.12062 -0.13364
|
|
92 2 O 1S -0.00688 0.00034 0.00804 0.00003 -0.00027
|
|
93 2S 0.03384 -0.02315 -0.00292 0.00637 0.00043
|
|
94 3S 0.17702 -0.08804 -0.00092 0.05151 -0.00603
|
|
95 4S -0.30010 -0.18534 0.19137 -0.17945 0.17560
|
|
96 5S 0.25678 0.63057 -1.18040 0.16445 -0.71104
|
|
97 6S 0.46399 0.23524 -1.37235 -0.26769 -0.25502
|
|
98 7PX 0.00107 -0.03973 0.04014 0.04692 -0.03098
|
|
99 7PY -0.01372 -0.03752 0.05064 0.06599 -0.09172
|
|
100 7PZ 0.04782 0.10310 0.05214 0.08057 -0.02462
|
|
101 8PX 0.03196 0.16605 -0.24743 -0.10529 0.05476
|
|
102 8PY 0.09927 0.15247 -0.27070 -0.18594 0.20766
|
|
103 8PZ -0.12679 -0.28323 -0.02695 -0.15939 0.05523
|
|
104 9PX -0.14499 -0.33842 1.14960 0.30034 0.07488
|
|
105 9PY -0.48679 -0.40830 1.10577 0.45119 -0.19046
|
|
106 9PZ 0.25691 0.40235 -0.51296 0.00326 -0.15959
|
|
107 10PX -1.05465 -0.20762 0.80566 -0.16224 0.02843
|
|
108 10PY 0.29241 -0.19095 -0.63101 -0.48009 -0.54319
|
|
109 10PZ 0.14383 0.18273 -0.56795 0.06292 0.19191
|
|
110 11PX -0.05197 0.00824 0.08716 -0.02286 0.00966
|
|
111 11PY 0.06348 0.02063 -0.13872 -0.10354 -0.04944
|
|
112 11PZ 0.02619 0.00406 -0.11255 -0.02095 0.02964
|
|
113 12D 0 0.00449 -0.04832 -0.08219 -0.11527 0.01809
|
|
114 12D+1 0.01414 -0.00776 0.07462 0.03828 -0.02104
|
|
115 12D-1 0.03473 -0.14150 -0.00284 0.02481 0.03071
|
|
116 12D+2 0.13183 -0.03379 -0.13951 0.04872 -0.02444
|
|
117 12D-2 0.01366 0.08471 -0.04785 0.00191 -0.05938
|
|
118 13D 0 -0.02510 -0.00805 0.06098 0.06852 -0.02504
|
|
119 13D+1 -0.00308 0.03795 -0.03276 -0.00515 0.01751
|
|
120 13D-1 -0.06328 0.07346 -0.05508 -0.00835 -0.05879
|
|
121 13D+2 -0.09219 -0.03826 0.13002 -0.02283 -0.01709
|
|
122 13D-2 0.01357 -0.09422 0.00722 0.03033 0.00132
|
|
123 14D 0 0.09590 0.09355 -0.14853 -0.12946 0.12788
|
|
124 14D+1 -0.07333 -0.21120 0.49088 0.08636 0.03828
|
|
125 14D-1 0.20616 -0.17495 0.35376 0.01501 0.18325
|
|
126 14D+2 0.30338 0.20904 -0.77151 -0.08676 0.04112
|
|
127 14D-2 -0.02136 0.44411 -0.07342 -0.11079 0.07501
|
|
128 15D 0 -0.15145 -0.05444 0.33424 0.23703 -0.02862
|
|
129 15D+1 -0.22070 -0.10073 0.18723 -0.20628 0.03062
|
|
130 15D-1 -0.06147 -0.14827 -0.14440 -0.18678 0.13876
|
|
131 15D+2 -0.19660 -0.00881 0.37561 0.24369 0.25604
|
|
132 15D-2 -0.65064 0.20497 0.01908 0.04508 0.17667
|
|
133 16F 0 -0.03594 -0.13985 0.40481 0.30582 -0.23747
|
|
134 16F+1 0.26080 0.21378 0.23732 0.10792 0.01408
|
|
135 16F-1 -0.40345 -0.10537 -0.15782 0.46563 -0.56739
|
|
136 16F+2 0.32651 0.38756 0.15110 0.22013 -0.14508
|
|
137 16F-2 -0.13182 0.16190 0.28953 -0.26370 0.20903
|
|
138 16F+3 0.21320 0.52190 -0.08539 -0.04242 -0.20371
|
|
139 16F-3 0.11528 0.03516 0.26984 -0.40235 0.49965
|
|
140 17F 0 0.00000 0.13217 -0.30187 -0.33496 0.25790
|
|
141 17F+1 -0.19656 -0.20100 -0.14110 -0.00010 -0.05312
|
|
142 17F-1 0.40970 0.04938 0.11557 -0.44856 0.56369
|
|
143 17F+2 -0.25717 -0.27938 -0.29769 -0.23816 0.14363
|
|
144 17F-2 0.08871 -0.00381 -0.32852 0.23471 -0.24867
|
|
145 17F+3 -0.24737 -0.48238 0.18536 -0.00734 0.20896
|
|
146 17F-3 -0.04202 -0.18172 -0.26958 0.38385 -0.46008
|
|
147 18F 0 0.09585 -0.08973 0.16297 0.15724 -0.15622
|
|
148 18F+1 0.10606 0.00359 0.03049 -0.08895 0.03144
|
|
149 18F-1 -0.20481 -0.14849 0.26651 0.13516 -0.09992
|
|
150 18F+2 0.20928 0.13668 0.04482 0.17884 -0.13293
|
|
151 18F-2 -0.23226 0.23827 0.05646 -0.05710 0.11669
|
|
152 18F+3 0.41933 0.04239 0.07939 -0.00246 -0.12279
|
|
153 18F-3 -0.19552 -0.22107 0.43355 -0.00752 0.13986
|
|
154 19G 0 -0.15864 0.04307 0.25440 0.11156 -0.03368
|
|
155 19G+1 0.06124 -0.00336 -0.03957 0.26353 -0.12051
|
|
156 19G-1 -0.21906 0.29277 -0.27574 -0.21400 0.05549
|
|
157 19G+2 -0.28842 -0.05600 0.11929 -0.15630 0.11448
|
|
158 19G-2 -0.10665 -0.08056 -0.05958 0.01618 -0.12391
|
|
159 19G+3 -0.30962 0.14077 0.16145 0.01021 -0.00080
|
|
160 19G-3 -0.17243 -0.11472 -0.16579 -0.07076 0.13245
|
|
161 19G+4 -0.17860 -0.20034 0.30788 0.06275 0.02987
|
|
162 19G-4 -0.23519 -0.02229 0.11064 -0.09580 0.06577
|
|
163 20G 0 0.12878 0.02418 -0.19239 -0.13610 0.06451
|
|
164 20G+1 -0.08783 -0.11514 0.02705 -0.07745 -0.00493
|
|
165 20G-1 0.14466 -0.27939 0.21589 0.07603 0.02707
|
|
166 20G+2 0.21889 0.04826 -0.05727 0.04884 0.00398
|
|
167 20G-2 -0.01999 0.13325 -0.13290 0.15040 -0.12964
|
|
168 20G+3 0.15993 -0.15421 -0.02832 -0.01520 -0.04085
|
|
169 20G-3 0.12457 -0.15808 0.18367 0.06019 -0.10662
|
|
170 20G+4 0.14265 0.24857 -0.35640 0.01980 -0.10798
|
|
171 20G-4 0.25932 0.19920 -0.15490 -0.06841 0.10103
|
|
172 21H 0 -0.04625 0.02415 -0.02805 -0.04555 -0.00097
|
|
173 21H+1 -0.06473 -0.15204 0.09384 0.09525 -0.06792
|
|
174 21H-1 0.00424 -0.05496 -0.01794 0.02638 -0.03590
|
|
175 21H+2 0.05568 0.15211 0.01084 -0.07935 0.08145
|
|
176 21H-2 -0.04182 0.07446 -0.12390 0.11228 -0.16235
|
|
177 21H+3 -0.05786 -0.02169 -0.06175 0.04395 -0.10168
|
|
178 21H-3 0.09811 -0.04587 0.08219 -0.13337 0.13434
|
|
179 21H+4 -0.01500 0.17105 -0.07193 -0.00233 0.00359
|
|
180 21H-4 0.04258 0.11641 -0.06902 -0.08972 0.07234
|
|
181 21H+5 -0.01446 -0.11682 0.15450 -0.08748 0.10155
|
|
182 21H-5 -0.01417 -0.11754 0.00574 0.12062 -0.13364
|
|
183 3 H 1S 0.04122 -0.15321 -0.15722 0.03044 -0.01196
|
|
184 2S 0.06475 0.70383 0.24621 -0.24139 0.13528
|
|
185 3S -0.88896 0.46302 2.07197 0.13783 -0.21380
|
|
186 4S -0.06677 -0.15029 0.83289 0.23833 -0.09916
|
|
187 5S -0.03068 0.00925 0.01064 -0.01446 0.00318
|
|
188 6PX -0.06634 0.12629 0.16330 0.00624 -0.01068
|
|
189 6PY -0.09678 0.02618 -0.06683 -0.12651 0.05544
|
|
190 6PZ 0.01089 0.06157 0.14465 0.01014 -0.00810
|
|
191 7PX 0.09037 -0.41499 -0.33418 0.08181 -0.00681
|
|
192 7PY 0.11632 -0.18740 0.13281 0.25935 -0.07535
|
|
193 7PZ -0.07132 -0.22327 -0.30318 -0.04774 -0.03326
|
|
194 8PX 0.27528 -0.18540 -0.99904 -0.20386 0.20950
|
|
195 8PY 0.19410 0.51389 -0.40967 -0.21433 0.21529
|
|
196 8PZ 0.28756 -0.08380 -0.72718 -0.20918 0.05617
|
|
197 9PX 0.07648 0.04898 -0.40901 -0.06271 0.04021
|
|
198 9PY 0.00465 0.19447 -0.27415 -0.23394 0.14111
|
|
199 9PZ 0.05160 0.03961 -0.23002 -0.07736 0.02586
|
|
200 10D 0 0.02487 -0.05994 -0.00232 0.04113 0.00292
|
|
201 10D+1 0.02441 0.05454 0.00239 -0.00170 0.02878
|
|
202 10D-1 -0.03043 0.05834 -0.05100 0.03797 0.04431
|
|
203 10D+2 -0.02476 -0.03205 -0.04140 -0.04240 0.00808
|
|
204 10D-2 0.03666 0.08735 0.00467 -0.06895 -0.04763
|
|
205 11D 0 -0.03128 0.16578 0.11502 0.06818 0.06446
|
|
206 11D+1 -0.06374 -0.02336 0.27972 0.07871 -0.05573
|
|
207 11D-1 0.09082 -0.08684 0.25198 -0.19661 -0.23886
|
|
208 11D+2 0.01733 0.34823 0.40365 0.11630 -0.06054
|
|
209 11D-2 -0.20602 -0.12070 0.02719 0.12406 0.11920
|
|
210 12D 0 -0.10442 0.05182 -0.05193 -0.11678 0.05223
|
|
211 12D+1 -0.06479 -0.03883 0.18998 0.10539 -0.05432
|
|
212 12D-1 -0.02842 -0.14385 0.07280 0.13698 -0.04811
|
|
213 12D+2 -0.10533 0.08003 0.08865 -0.08887 0.06944
|
|
214 12D-2 0.01017 -0.26755 0.21063 0.11421 -0.10552
|
|
215 13F 0 0.04056 -0.13355 -0.01440 -0.07928 -0.05600
|
|
216 13F+1 0.00551 -0.01283 -0.02702 -0.02456 -0.03775
|
|
217 13F-1 -0.07015 -0.00788 -0.11494 0.13117 0.17542
|
|
218 13F+2 0.01531 -0.04921 -0.03354 -0.04197 -0.00456
|
|
219 13F-2 0.01562 0.02897 -0.08107 0.09122 0.08116
|
|
220 13F+3 -0.04965 -0.15912 -0.14646 -0.03750 0.04206
|
|
221 13F-3 0.06628 -0.04487 0.00939 -0.12518 -0.12855
|
|
222 14F 0 0.07015 -0.15098 -0.06232 0.02381 -0.06929
|
|
223 14F+1 0.08546 -0.02640 0.00673 0.03170 0.00551
|
|
224 14F-1 -0.01570 -0.02520 -0.07413 0.10697 0.07734
|
|
225 14F+2 0.01884 -0.03315 -0.05800 -0.01784 -0.03845
|
|
226 14F-2 -0.04404 0.07501 -0.11516 -0.00300 0.07203
|
|
227 14F+3 0.03391 -0.20393 -0.12495 0.02619 -0.00210
|
|
228 14F-3 0.10789 0.06093 -0.04744 -0.06126 -0.11235
|
|
229 15G 0 -0.02634 0.11704 0.02264 0.10018 0.06864
|
|
230 15G+1 -0.08059 0.17155 0.01041 0.03099 0.07598
|
|
231 15G-1 0.00475 0.05833 0.06590 -0.09660 -0.09460
|
|
232 15G+2 -0.05570 0.02058 -0.05696 0.01313 0.05635
|
|
233 15G-2 0.03901 -0.02854 0.13690 -0.24599 -0.24938
|
|
234 15G+3 -0.00674 0.13949 0.03355 0.04502 0.02363
|
|
235 15G-3 -0.02372 -0.02782 0.06835 0.00235 0.03436
|
|
236 15G+4 0.06448 0.18451 0.13941 -0.00114 -0.09492
|
|
237 15G-4 -0.08645 0.05654 0.01169 0.16547 0.20638
|
|
238 4 H 1S 0.04122 0.15321 -0.15722 0.03044 0.01196
|
|
239 2S 0.06475 -0.70383 0.24621 -0.24139 -0.13528
|
|
240 3S -0.88896 -0.46302 2.07197 0.13783 0.21380
|
|
241 4S -0.06677 0.15029 0.83289 0.23833 0.09916
|
|
242 5S -0.03068 -0.00925 0.01064 -0.01446 -0.00318
|
|
243 6PX 0.06634 0.12629 -0.16330 -0.00624 -0.01068
|
|
244 6PY 0.09678 0.02618 0.06683 0.12651 0.05544
|
|
245 6PZ 0.01089 -0.06157 0.14465 0.01014 0.00810
|
|
246 7PX -0.09037 -0.41499 0.33418 -0.08181 -0.00681
|
|
247 7PY -0.11632 -0.18740 -0.13281 -0.25935 -0.07535
|
|
248 7PZ -0.07132 0.22327 -0.30318 -0.04774 0.03326
|
|
249 8PX -0.27528 -0.18540 0.99904 0.20386 0.20950
|
|
250 8PY -0.19410 0.51389 0.40967 0.21433 0.21529
|
|
251 8PZ 0.28756 0.08380 -0.72718 -0.20918 -0.05617
|
|
252 9PX -0.07648 0.04898 0.40901 0.06271 0.04021
|
|
253 9PY -0.00465 0.19447 0.27415 0.23394 0.14111
|
|
254 9PZ 0.05160 -0.03961 -0.23002 -0.07736 -0.02586
|
|
255 10D 0 0.02487 0.05994 -0.00232 0.04113 -0.00292
|
|
256 10D+1 -0.02441 0.05454 -0.00239 0.00170 0.02878
|
|
257 10D-1 0.03043 0.05834 0.05100 -0.03797 0.04431
|
|
258 10D+2 -0.02476 0.03205 -0.04140 -0.04240 -0.00808
|
|
259 10D-2 0.03666 -0.08735 0.00467 -0.06895 0.04763
|
|
260 11D 0 -0.03128 -0.16578 0.11502 0.06818 -0.06446
|
|
261 11D+1 0.06374 -0.02336 -0.27972 -0.07871 -0.05573
|
|
262 11D-1 -0.09082 -0.08684 -0.25198 0.19661 -0.23886
|
|
263 11D+2 0.01733 -0.34823 0.40365 0.11630 0.06054
|
|
264 11D-2 -0.20602 0.12070 0.02719 0.12406 -0.11920
|
|
265 12D 0 -0.10442 -0.05182 -0.05193 -0.11678 -0.05223
|
|
266 12D+1 0.06479 -0.03883 -0.18998 -0.10539 -0.05432
|
|
267 12D-1 0.02842 -0.14385 -0.07280 -0.13698 -0.04811
|
|
268 12D+2 -0.10533 -0.08003 0.08865 -0.08887 -0.06944
|
|
269 12D-2 0.01017 0.26755 0.21063 0.11421 0.10552
|
|
270 13F 0 0.04056 0.13355 -0.01440 -0.07928 0.05600
|
|
271 13F+1 -0.00551 -0.01283 0.02702 0.02456 -0.03775
|
|
272 13F-1 0.07015 -0.00788 0.11494 -0.13117 0.17542
|
|
273 13F+2 0.01531 0.04921 -0.03354 -0.04197 0.00456
|
|
274 13F-2 0.01562 -0.02897 -0.08107 0.09122 -0.08116
|
|
275 13F+3 0.04965 -0.15912 0.14646 0.03750 0.04206
|
|
276 13F-3 -0.06628 -0.04487 -0.00939 0.12518 -0.12855
|
|
277 14F 0 0.07015 0.15098 -0.06232 0.02381 0.06929
|
|
278 14F+1 -0.08546 -0.02640 -0.00673 -0.03170 0.00551
|
|
279 14F-1 0.01570 -0.02520 0.07413 -0.10697 0.07734
|
|
280 14F+2 0.01884 0.03315 -0.05800 -0.01784 0.03845
|
|
281 14F-2 -0.04404 -0.07501 -0.11516 -0.00300 -0.07203
|
|
282 14F+3 -0.03391 -0.20393 0.12495 -0.02619 -0.00210
|
|
283 14F-3 -0.10789 0.06093 0.04744 0.06126 -0.11235
|
|
284 15G 0 -0.02634 -0.11704 0.02264 0.10018 -0.06864
|
|
285 15G+1 0.08059 0.17155 -0.01041 -0.03099 0.07598
|
|
286 15G-1 -0.00475 0.05833 -0.06590 0.09660 -0.09460
|
|
287 15G+2 -0.05570 -0.02058 -0.05696 0.01313 -0.05635
|
|
288 15G-2 0.03901 0.02854 0.13690 -0.24599 0.24938
|
|
289 15G+3 0.00674 0.13949 -0.03355 -0.04502 0.02363
|
|
290 15G-3 0.02372 -0.02782 -0.06835 -0.00235 0.03436
|
|
291 15G+4 0.06448 -0.18451 0.13941 -0.00114 0.09492
|
|
292 15G-4 -0.08645 -0.05654 0.01169 0.16547 -0.20638
|
|
266 267 268 269 270
|
|
V V V V V
|
|
Eigenvalues -- 20.07835 20.08477 20.12714 20.19620 20.55440
|
|
1 1 O 1S -0.00428 0.00195 0.00276 -0.00078 -0.00776
|
|
2 2S 0.00418 0.00372 0.01879 0.02190 0.09023
|
|
3 3S 0.03374 0.07883 0.10592 0.14349 0.50532
|
|
4 4S -0.20031 -0.40175 0.02169 -0.17366 -0.36200
|
|
5 5S 0.39967 -0.27582 -0.95393 -0.90302 -1.82815
|
|
6 6S 0.59069 0.19242 -0.80334 0.00441 0.10103
|
|
7 7PX 0.09248 0.09757 -0.02289 -0.00840 0.12529
|
|
8 7PY -0.00445 -0.04319 -0.04665 0.01145 0.04052
|
|
9 7PZ -0.03091 0.04120 -0.04858 0.13011 -0.01571
|
|
10 8PX -0.26899 -0.23764 0.22907 0.01510 -0.03485
|
|
11 8PY -0.09168 0.10929 0.20299 -0.02427 -0.09367
|
|
12 8PZ -0.04413 -0.12913 0.13701 -0.19565 0.21346
|
|
13 9PX 0.56182 -0.03328 -1.22295 -0.23208 -0.96224
|
|
14 9PY 0.57947 -0.13736 -0.74914 0.04690 0.22193
|
|
15 9PZ 0.46894 0.04602 -0.40591 -0.34909 -0.90741
|
|
16 10PX 0.02549 -0.25030 0.13174 -0.44051 -1.54941
|
|
17 10PY -0.18429 -0.06767 0.45905 -0.19455 -1.83561
|
|
18 10PZ 0.21333 -0.25991 -0.30174 -0.13754 -1.25766
|
|
19 11PX 0.03724 -0.05352 0.02288 -0.02075 -0.04112
|
|
20 11PY -0.06627 -0.07213 0.10435 -0.04553 -0.14956
|
|
21 11PZ 0.03258 -0.00051 -0.05952 0.02104 -0.01650
|
|
22 12D 0 0.19389 0.10260 0.16679 -0.21796 -0.01186
|
|
23 12D+1 0.10573 0.03799 0.01849 -0.16528 -0.28593
|
|
24 12D-1 0.05204 0.15848 0.01071 0.04795 -0.10237
|
|
25 12D+2 0.01033 -0.04826 -0.19568 0.10015 -0.32542
|
|
26 12D-2 0.10228 0.01410 -0.09738 0.02772 0.12953
|
|
27 13D 0 -0.10226 -0.02599 -0.10197 0.13335 0.01898
|
|
28 13D+1 -0.10083 -0.08260 0.01656 0.07220 0.22955
|
|
29 13D-1 -0.01162 -0.08523 0.00012 -0.01216 0.05400
|
|
30 13D+2 -0.02709 0.04001 0.12916 -0.05612 0.24074
|
|
31 13D-2 -0.05503 0.01415 0.07394 0.00273 -0.07431
|
|
32 14D 0 0.12096 -0.05774 0.14320 -0.19962 -0.04301
|
|
33 14D+1 0.42775 0.12801 -0.46683 -0.24633 -0.89531
|
|
34 14D-1 0.01602 0.02259 -0.07168 -0.09511 0.00215
|
|
35 14D+2 0.22223 -0.25866 -0.54825 -0.11197 -0.67798
|
|
36 14D-2 0.07021 -0.09032 -0.16114 -0.07805 -0.10980
|
|
37 15D 0 -0.18258 -0.13885 0.19568 -0.04142 -0.31835
|
|
38 15D+1 0.00111 -0.11473 0.04927 -0.13695 -0.49919
|
|
39 15D-1 0.06964 0.23566 0.08590 -0.13992 0.02051
|
|
40 15D+2 -0.24813 -0.14815 0.35119 -0.14988 -0.86263
|
|
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|
|
274 13F-2 -0.00272 0.00870 0.02946 0.02192 0.12089
|
|
275 13F+3 0.06510 -0.07975 -0.01413 -0.09406 -0.10965
|
|
276 13F-3 0.01321 -0.03434 0.05462 -0.03019 -0.11727
|
|
277 14F 0 -0.06767 -0.00424 0.02615 -0.06224 -0.00537
|
|
278 14F+1 0.07835 -0.08391 0.13021 0.14944 0.03079
|
|
279 14F-1 0.06787 0.01312 -0.06240 0.07308 -0.04217
|
|
280 14F+2 0.03962 0.00859 -0.05533 0.00492 -0.04998
|
|
281 14F-2 -0.03277 0.07154 -0.08544 0.05266 0.11998
|
|
282 14F+3 -0.03643 0.04698 -0.10761 -0.02309 0.00959
|
|
283 14F-3 -0.01455 -0.07823 0.00531 -0.07460 -0.06933
|
|
284 15G 0 0.04239 -0.04634 -0.12648 -0.12195 0.03572
|
|
285 15G+1 -0.24359 0.19125 -0.06763 -0.14680 -0.02419
|
|
286 15G-1 -0.06222 0.03487 0.05178 -0.01038 -0.02649
|
|
287 15G+2 0.02776 -0.02839 0.19899 0.15576 -0.01329
|
|
288 15G-2 0.08340 -0.08462 -0.04935 0.01123 -0.10259
|
|
289 15G+3 0.02519 -0.00342 0.02636 0.04465 -0.01397
|
|
290 15G-3 -0.05551 0.06115 0.00902 0.04605 0.19697
|
|
291 15G+4 0.03873 -0.04327 -0.12625 -0.09231 0.01310
|
|
292 15G-4 0.05023 -0.06965 -0.03223 -0.06975 -0.12239
|
|
271 272 273 274 275
|
|
V V V V V
|
|
Eigenvalues -- 20.92223 20.96266 21.16537 21.38397 22.26107
|
|
1 1 O 1S -0.00232 0.00896 -0.00254 0.00931 -0.00360
|
|
2 2S 0.07197 -0.09075 0.11176 0.08413 0.00190
|
|
3 3S 0.38731 -0.49892 0.67056 0.59096 -0.00075
|
|
4 4S 0.05049 0.27735 -0.56323 -1.39581 0.04032
|
|
5 5S -2.72013 2.57466 -3.75426 -1.43917 0.28889
|
|
6 6S -0.71596 0.34865 -1.74690 -0.14562 -0.16092
|
|
7 7PX 0.06206 -0.01142 0.21660 0.05326 -0.04557
|
|
8 7PY 0.24493 0.07239 0.10467 -0.39134 -0.14787
|
|
9 7PZ 0.14391 -0.06928 0.08428 0.01962 0.02120
|
|
10 8PX 0.12959 -0.14838 -0.21299 0.03783 0.09270
|
|
11 8PY -0.55581 -0.06018 -0.22110 1.14067 0.44355
|
|
12 8PZ -0.17340 0.04806 0.00717 0.07197 -0.09537
|
|
13 9PX -1.33226 0.86532 -1.52880 -1.37290 0.15117
|
|
14 9PY 0.43573 -0.40325 0.04241 -1.92597 -0.83168
|
|
15 9PZ -0.56031 0.45796 -1.16395 -1.01143 0.33497
|
|
16 10PX -1.71277 1.56235 -1.50033 -0.68145 -0.31499
|
|
17 10PY -1.13778 0.96112 -0.11038 -1.03745 -0.59324
|
|
18 10PZ -0.98998 0.66571 -1.25787 -0.43038 0.11389
|
|
19 11PX -0.08514 0.04772 -0.10091 0.00484 -0.00056
|
|
20 11PY -0.08372 0.10055 0.01815 -0.06913 0.10481
|
|
21 11PZ -0.01660 -0.00081 -0.13915 0.01156 -0.05817
|
|
22 12D 0 0.01105 -0.12041 0.17652 0.41248 0.06901
|
|
23 12D+1 -0.31332 0.36606 -0.44568 -0.47927 0.29952
|
|
24 12D-1 0.09184 -0.17606 -0.32272 -0.02100 -0.96487
|
|
25 12D+2 -0.20068 0.01767 -0.14368 0.33196 -0.14827
|
|
26 12D-2 -0.33620 0.07838 0.02380 -0.03084 0.16171
|
|
27 13D 0 -0.03808 0.13205 -0.15121 -0.29030 -0.11065
|
|
28 13D+1 0.26224 -0.29775 0.36443 0.40165 -0.33488
|
|
29 13D-1 -0.07603 0.11472 0.23920 0.05783 1.09754
|
|
30 13D+2 0.13653 0.02176 0.09572 -0.18734 0.13374
|
|
31 13D-2 0.19100 -0.06573 -0.01899 0.09367 -0.08969
|
|
32 14D 0 0.16445 -0.27381 0.13242 -0.05240 0.26949
|
|
33 14D+1 -0.91309 0.62914 -1.20950 -0.81739 0.44808
|
|
34 14D-1 -0.17040 0.10557 -0.19942 -0.41494 -1.08379
|
|
35 14D+2 -0.55592 0.14144 -0.70818 -0.73187 0.15681
|
|
36 14D-2 -0.08698 0.13630 -0.30098 -0.67344 -0.48364
|
|
37 15D 0 -0.15428 0.22472 -0.07476 -0.15660 0.05437
|
|
38 15D+1 -0.58555 0.32231 -0.50433 0.00303 0.01284
|
|
39 15D-1 -0.31340 0.19132 0.13561 -0.16811 0.03107
|
|
40 15D+2 -0.83163 0.67554 -0.51127 -0.17883 0.13754
|
|
41 15D-2 -0.16083 -0.20608 -0.27332 -0.17284 -0.01829
|
|
42 16F 0 0.23777 -0.01326 0.07672 -0.03561 -0.02242
|
|
43 16F+1 -0.07985 0.16221 0.04213 -0.02679 -0.12128
|
|
44 16F-1 0.10716 -0.07631 0.00579 -0.35885 0.03557
|
|
45 16F+2 0.12751 0.16065 -0.13887 -0.11788 -0.07517
|
|
46 16F-2 -0.34289 -0.17770 -0.20309 0.15778 0.23517
|
|
47 16F+3 -0.08346 0.36016 0.19269 -0.12218 -0.16871
|
|
48 16F-3 0.02760 -0.26113 -0.16173 -0.41557 0.20660
|
|
49 17F 0 -0.07343 -0.08341 0.10925 0.15562 0.02403
|
|
50 17F+1 0.01343 -0.08092 -0.14779 -0.02226 0.19121
|
|
51 17F-1 -0.13362 0.14724 -0.05246 0.38031 -0.06286
|
|
52 17F+2 -0.34484 0.04123 -0.13423 -0.00770 0.14903
|
|
53 17F-2 0.22450 0.20515 0.05011 -0.32038 -0.37155
|
|
54 17F+3 -0.00702 -0.19424 -0.30640 0.07666 0.22561
|
|
55 17F-3 -0.16824 0.36362 0.01465 0.33808 -0.35003
|
|
56 18F 0 0.01767 -0.10860 0.14818 0.06945 0.06776
|
|
57 18F+1 -0.16256 -0.07396 -0.18779 0.03199 0.19364
|
|
58 18F-1 0.07571 -0.24301 0.08396 0.05642 -0.02425
|
|
59 18F+2 -0.55897 0.10575 -0.28444 0.06859 0.19134
|
|
60 18F-2 -0.04234 0.06058 0.14223 -0.15293 -0.28632
|
|
61 18F+3 -0.36820 -0.31199 -0.52537 0.19239 0.42799
|
|
62 18F-3 0.10422 -0.14148 0.18402 -0.04258 -0.21543
|
|
63 19G 0 0.08863 0.02328 0.05528 0.01715 -0.01724
|
|
64 19G+1 0.11372 0.01556 0.05782 0.02034 -0.01105
|
|
65 19G-1 -0.08643 0.01432 0.00447 0.00496 0.01308
|
|
66 19G+2 -0.03075 0.27501 -0.12279 -0.08949 -0.03570
|
|
67 19G-2 -0.14975 -0.08872 -0.18833 -0.02299 0.07547
|
|
68 19G+3 0.01681 0.33784 -0.15125 -0.11233 -0.01810
|
|
69 19G-3 -0.38284 -0.08820 -0.26790 -0.05420 0.03065
|
|
70 19G+4 0.02925 0.35923 -0.04879 -0.15178 -0.03253
|
|
71 19G-4 -0.27622 -0.27643 -0.40784 -0.03819 0.12511
|
|
72 20G 0 -0.02202 -0.08201 0.05970 0.12944 -0.02286
|
|
73 20G+1 -0.01091 -0.10149 0.04004 0.05682 0.07528
|
|
74 20G-1 0.16762 -0.04677 -0.01031 0.04512 0.02899
|
|
75 20G+2 -0.14592 -0.18333 -0.01076 0.21825 0.14975
|
|
76 20G-2 0.13774 0.15048 0.19590 -0.05355 -0.19386
|
|
77 20G+3 -0.22587 -0.22985 -0.00256 0.17337 0.17079
|
|
78 20G-3 0.39948 0.17242 0.19126 -0.12820 -0.25810
|
|
79 20G+4 -0.20912 -0.28583 -0.03060 0.44019 0.14280
|
|
80 20G-4 0.17586 0.44238 0.50700 -0.05267 -0.36233
|
|
81 21H 0 0.05510 0.01957 0.01104 -0.01271 -0.03667
|
|
82 21H+1 0.02245 -0.00696 0.06002 0.03272 -0.01817
|
|
83 21H-1 0.01837 0.00392 -0.01120 -0.06406 0.02597
|
|
84 21H+2 0.07678 -0.02191 0.00683 0.01406 0.03547
|
|
85 21H-2 0.01030 0.00454 -0.01513 0.02882 0.01585
|
|
86 21H+3 -0.07485 0.03214 0.04165 0.04235 0.04200
|
|
87 21H-3 0.11248 0.06286 0.02013 -0.14761 -0.06875
|
|
88 21H+4 -0.02030 -0.06506 -0.03704 0.09683 0.09827
|
|
89 21H-4 0.06846 0.13291 0.03576 -0.02918 -0.10190
|
|
90 21H+5 -0.04595 0.08483 0.12822 0.08012 -0.01967
|
|
91 21H-5 0.08832 0.07934 0.04249 -0.16390 -0.05793
|
|
92 2 O 1S 0.00232 0.00896 -0.00254 -0.00931 -0.00360
|
|
93 2S -0.07197 -0.09075 0.11176 -0.08413 0.00190
|
|
94 3S -0.38731 -0.49892 0.67056 -0.59096 -0.00075
|
|
95 4S -0.05049 0.27735 -0.56323 1.39581 0.04032
|
|
96 5S 2.72013 2.57466 -3.75426 1.43917 0.28889
|
|
97 6S 0.71596 0.34865 -1.74690 0.14562 -0.16092
|
|
98 7PX 0.06206 0.01142 -0.21660 0.05326 0.04557
|
|
99 7PY 0.24493 -0.07239 -0.10467 -0.39134 0.14787
|
|
100 7PZ -0.14391 -0.06928 0.08428 -0.01962 0.02120
|
|
101 8PX 0.12959 0.14838 0.21299 0.03783 -0.09270
|
|
102 8PY -0.55581 0.06018 0.22110 1.14067 -0.44355
|
|
103 8PZ 0.17340 0.04806 0.00717 -0.07197 -0.09537
|
|
104 9PX -1.33226 -0.86532 1.52880 -1.37290 -0.15117
|
|
105 9PY 0.43573 0.40325 -0.04241 -1.92597 0.83168
|
|
106 9PZ 0.56031 0.45796 -1.16395 1.01143 0.33497
|
|
107 10PX -1.71277 -1.56235 1.50033 -0.68145 0.31499
|
|
108 10PY -1.13778 -0.96112 0.11038 -1.03745 0.59324
|
|
109 10PZ 0.98998 0.66571 -1.25787 0.43038 0.11389
|
|
110 11PX -0.08514 -0.04772 0.10091 0.00484 0.00056
|
|
111 11PY -0.08372 -0.10055 -0.01815 -0.06913 -0.10481
|
|
112 11PZ 0.01660 -0.00081 -0.13915 -0.01156 -0.05817
|
|
113 12D 0 -0.01105 -0.12041 0.17652 -0.41248 0.06901
|
|
114 12D+1 -0.31332 -0.36606 0.44568 -0.47927 -0.29952
|
|
115 12D-1 0.09184 0.17606 0.32272 -0.02100 0.96487
|
|
116 12D+2 0.20068 0.01767 -0.14368 -0.33196 -0.14827
|
|
117 12D-2 0.33620 0.07838 0.02380 0.03084 0.16171
|
|
118 13D 0 0.03808 0.13205 -0.15121 0.29030 -0.11065
|
|
119 13D+1 0.26224 0.29775 -0.36443 0.40165 0.33488
|
|
120 13D-1 -0.07603 -0.11472 -0.23920 0.05783 -1.09754
|
|
121 13D+2 -0.13653 0.02176 0.09572 0.18734 0.13374
|
|
122 13D-2 -0.19100 -0.06573 -0.01899 -0.09367 -0.08969
|
|
123 14D 0 -0.16445 -0.27381 0.13242 0.05240 0.26949
|
|
124 14D+1 -0.91309 -0.62914 1.20950 -0.81739 -0.44808
|
|
125 14D-1 -0.17040 -0.10557 0.19942 -0.41494 1.08379
|
|
126 14D+2 0.55592 0.14144 -0.70818 0.73187 0.15681
|
|
127 14D-2 0.08698 0.13630 -0.30098 0.67344 -0.48364
|
|
128 15D 0 0.15428 0.22472 -0.07476 0.15660 0.05437
|
|
129 15D+1 -0.58555 -0.32231 0.50433 0.00303 -0.01284
|
|
130 15D-1 -0.31340 -0.19132 -0.13561 -0.16811 -0.03107
|
|
131 15D+2 0.83163 0.67554 -0.51127 0.17883 0.13754
|
|
132 15D-2 0.16083 -0.20608 -0.27332 0.17284 -0.01829
|
|
133 16F 0 -0.23777 -0.01326 0.07672 0.03561 -0.02242
|
|
134 16F+1 -0.07985 -0.16221 -0.04213 -0.02679 0.12128
|
|
135 16F-1 0.10716 0.07631 -0.00579 -0.35885 -0.03557
|
|
136 16F+2 -0.12751 0.16065 -0.13887 0.11788 -0.07517
|
|
137 16F-2 0.34289 -0.17770 -0.20309 -0.15778 0.23517
|
|
138 16F+3 -0.08346 -0.36016 -0.19269 -0.12218 0.16871
|
|
139 16F-3 0.02760 0.26113 0.16173 -0.41557 -0.20660
|
|
140 17F 0 0.07343 -0.08341 0.10925 -0.15562 0.02403
|
|
141 17F+1 0.01343 0.08092 0.14779 -0.02226 -0.19121
|
|
142 17F-1 -0.13362 -0.14724 0.05246 0.38031 0.06286
|
|
143 17F+2 0.34484 0.04123 -0.13423 0.00770 0.14903
|
|
144 17F-2 -0.22450 0.20515 0.05011 0.32038 -0.37155
|
|
145 17F+3 -0.00702 0.19424 0.30640 0.07666 -0.22561
|
|
146 17F-3 -0.16824 -0.36362 -0.01465 0.33808 0.35003
|
|
147 18F 0 -0.01767 -0.10860 0.14818 -0.06945 0.06776
|
|
148 18F+1 -0.16256 0.07396 0.18779 0.03199 -0.19364
|
|
149 18F-1 0.07571 0.24301 -0.08396 0.05642 0.02425
|
|
150 18F+2 0.55897 0.10575 -0.28444 -0.06859 0.19134
|
|
151 18F-2 0.04234 0.06058 0.14223 0.15293 -0.28632
|
|
152 18F+3 -0.36820 0.31199 0.52537 0.19239 -0.42799
|
|
153 18F-3 0.10422 0.14148 -0.18402 -0.04258 0.21543
|
|
154 19G 0 -0.08863 0.02328 0.05528 -0.01715 -0.01724
|
|
155 19G+1 0.11372 -0.01556 -0.05782 0.02034 0.01105
|
|
156 19G-1 -0.08643 -0.01432 -0.00447 0.00496 -0.01308
|
|
157 19G+2 0.03075 0.27501 -0.12279 0.08949 -0.03570
|
|
158 19G-2 0.14975 -0.08872 -0.18833 0.02299 0.07547
|
|
159 19G+3 0.01681 -0.33784 0.15125 -0.11233 0.01810
|
|
160 19G-3 -0.38284 0.08820 0.26790 -0.05420 -0.03065
|
|
161 19G+4 -0.02925 0.35923 -0.04879 0.15178 -0.03253
|
|
162 19G-4 0.27622 -0.27643 -0.40784 0.03819 0.12511
|
|
163 20G 0 0.02202 -0.08201 0.05970 -0.12944 -0.02286
|
|
164 20G+1 -0.01091 0.10149 -0.04004 0.05682 -0.07528
|
|
165 20G-1 0.16762 0.04677 0.01031 0.04512 -0.02899
|
|
166 20G+2 0.14592 -0.18333 -0.01076 -0.21825 0.14975
|
|
167 20G-2 -0.13774 0.15048 0.19590 0.05355 -0.19386
|
|
168 20G+3 -0.22587 0.22985 0.00256 0.17337 -0.17079
|
|
169 20G-3 0.39948 -0.17242 -0.19126 -0.12820 0.25810
|
|
170 20G+4 0.20912 -0.28583 -0.03060 -0.44019 0.14280
|
|
171 20G-4 -0.17586 0.44238 0.50700 0.05267 -0.36233
|
|
172 21H 0 -0.05510 0.01957 0.01104 0.01271 -0.03667
|
|
173 21H+1 0.02245 0.00696 -0.06002 0.03272 0.01817
|
|
174 21H-1 0.01837 -0.00392 0.01120 -0.06406 -0.02597
|
|
175 21H+2 -0.07678 -0.02191 0.00683 -0.01406 0.03547
|
|
176 21H-2 -0.01030 0.00454 -0.01513 -0.02882 0.01585
|
|
177 21H+3 -0.07485 -0.03214 -0.04165 0.04235 -0.04200
|
|
178 21H-3 0.11248 -0.06286 -0.02013 -0.14761 0.06875
|
|
179 21H+4 0.02030 -0.06506 -0.03704 -0.09683 0.09827
|
|
180 21H-4 -0.06846 0.13291 0.03576 0.02918 -0.10190
|
|
181 21H+5 -0.04595 -0.08483 -0.12822 0.08012 0.01967
|
|
182 21H-5 0.08832 -0.07934 -0.04249 -0.16390 0.05793
|
|
183 3 H 1S -0.36299 0.21246 -0.35485 -0.15895 0.02159
|
|
184 2S 0.64676 -0.30531 0.19019 -0.21274 0.01711
|
|
185 3S 3.80852 -2.51406 4.62849 3.01267 -0.26413
|
|
186 4S 0.59964 -0.27733 1.31050 0.49476 0.19661
|
|
187 5S 0.06662 -0.03890 0.04048 0.04235 -0.03284
|
|
188 6PX 0.34196 -0.17782 0.38731 0.17255 -0.02905
|
|
189 6PY 0.26829 -0.02691 0.12626 -0.07004 -0.12228
|
|
190 6PZ 0.25870 -0.13469 0.24574 0.10884 0.01937
|
|
191 7PX -0.59198 0.39874 -0.55094 -0.20490 -0.00155
|
|
192 7PY -0.63556 -0.12334 -0.26840 0.20426 0.27397
|
|
193 7PZ -0.45271 0.31487 -0.34210 -0.11985 -0.08450
|
|
194 8PX -1.34648 0.94505 -2.03483 -1.84216 0.10691
|
|
195 8PY -0.48611 0.05161 -0.97206 0.23491 1.15201
|
|
196 8PZ -0.93057 0.71297 -1.36429 -1.19875 -0.14312
|
|
197 9PX -0.42995 0.28020 -0.78737 -0.52427 -0.05715
|
|
198 9PY -0.06441 -0.08015 -0.42147 -0.02578 0.10267
|
|
199 9PZ -0.31079 0.21941 -0.46440 -0.32626 -0.00143
|
|
200 10D 0 -0.02185 -0.04521 -0.00486 0.02457 0.01269
|
|
201 10D+1 -0.00381 -0.05583 -0.05504 -0.08622 0.02474
|
|
202 10D-1 0.07178 0.05353 -0.00386 -0.03111 -0.01598
|
|
203 10D+2 -0.04756 -0.10235 -0.04522 -0.01798 0.03079
|
|
204 10D-2 0.08752 0.11371 0.02182 -0.03966 0.01509
|
|
205 11D 0 -0.01633 0.03497 -0.12378 -0.07710 0.16961
|
|
206 11D+1 0.48892 -0.39029 0.72452 0.68734 0.10093
|
|
207 11D-1 0.22494 0.01108 0.31287 -0.11838 -0.32621
|
|
208 11D+2 0.26276 -0.14645 0.43557 0.45715 0.09129
|
|
209 11D-2 0.39495 -0.05071 0.37981 -0.17391 -0.64816
|
|
210 12D 0 0.05500 -0.07159 -0.08388 -0.06363 0.07354
|
|
211 12D+1 0.10533 -0.12181 0.35591 0.52018 0.04444
|
|
212 12D-1 0.00331 0.01356 0.19126 -0.01314 -0.27297
|
|
213 12D+2 0.15611 -0.16013 0.19008 0.35973 0.08536
|
|
214 12D-2 0.01417 0.02380 0.34541 -0.02206 -0.37898
|
|
215 13F 0 0.12732 -0.06171 0.15432 0.06416 -0.03018
|
|
216 13F+1 -0.06604 0.05444 -0.05693 -0.04930 -0.06316
|
|
217 13F-1 -0.00524 -0.00305 -0.01661 0.00952 0.02055
|
|
218 13F+2 -0.12792 0.12120 -0.18548 -0.14173 -0.04707
|
|
219 13F-2 -0.12853 0.06544 -0.10421 0.05120 0.11136
|
|
220 13F+3 -0.02177 0.06683 -0.07450 -0.09391 -0.06073
|
|
221 13F-3 -0.10556 0.03042 -0.08126 0.04649 0.12152
|
|
222 14F 0 -0.02401 -0.03169 0.12808 0.19982 -0.03917
|
|
223 14F+1 -0.04570 0.02165 -0.01869 -0.07361 -0.05425
|
|
224 14F-1 -0.01068 -0.01435 -0.03354 0.03836 -0.01352
|
|
225 14F+2 -0.08293 0.03032 -0.11638 -0.20356 -0.07050
|
|
226 14F-2 0.03252 0.01391 -0.09400 0.01980 0.20508
|
|
227 14F+3 -0.06510 -0.03481 -0.01947 -0.06906 -0.09149
|
|
228 14F-3 -0.05382 0.05075 -0.06460 0.06047 0.21628
|
|
229 15G 0 -0.06877 0.00931 -0.08315 -0.05919 0.01193
|
|
230 15G+1 -0.03727 0.03933 -0.07889 -0.05187 0.01977
|
|
231 15G-1 0.01673 0.05296 0.00759 -0.02550 0.00206
|
|
232 15G+2 0.08537 -0.00348 0.08605 0.04838 0.00606
|
|
233 15G-2 -0.01395 -0.06633 0.01138 0.00323 -0.00785
|
|
234 15G+3 0.13851 0.02175 0.13182 0.05574 0.01059
|
|
235 15G-3 -0.01371 -0.17249 0.01942 0.00828 -0.01877
|
|
236 15G+4 0.06478 0.04020 0.05444 0.01694 0.01233
|
|
237 15G-4 0.02544 -0.09525 0.01250 -0.01560 -0.02363
|
|
238 4 H 1S 0.36299 0.21246 -0.35485 0.15895 0.02159
|
|
239 2S -0.64676 -0.30531 0.19019 0.21274 0.01711
|
|
240 3S -3.80852 -2.51406 4.62849 -3.01267 -0.26413
|
|
241 4S -0.59964 -0.27733 1.31050 -0.49476 0.19661
|
|
242 5S -0.06662 -0.03890 0.04048 -0.04235 -0.03284
|
|
243 6PX 0.34196 0.17782 -0.38731 0.17255 0.02905
|
|
244 6PY 0.26829 0.02691 -0.12626 -0.07004 0.12228
|
|
245 6PZ -0.25870 -0.13469 0.24574 -0.10884 0.01937
|
|
246 7PX -0.59198 -0.39874 0.55094 -0.20490 0.00155
|
|
247 7PY -0.63556 0.12334 0.26840 0.20426 -0.27397
|
|
248 7PZ 0.45271 0.31487 -0.34210 0.11985 -0.08450
|
|
249 8PX -1.34648 -0.94505 2.03483 -1.84216 -0.10691
|
|
250 8PY -0.48611 -0.05161 0.97206 0.23491 -1.15201
|
|
251 8PZ 0.93057 0.71297 -1.36429 1.19875 -0.14312
|
|
252 9PX -0.42995 -0.28020 0.78737 -0.52427 0.05715
|
|
253 9PY -0.06441 0.08015 0.42147 -0.02578 -0.10267
|
|
254 9PZ 0.31079 0.21941 -0.46440 0.32626 -0.00143
|
|
255 10D 0 0.02185 -0.04521 -0.00486 -0.02457 0.01269
|
|
256 10D+1 -0.00381 0.05583 0.05504 -0.08622 -0.02474
|
|
257 10D-1 0.07178 -0.05353 0.00386 -0.03111 0.01598
|
|
258 10D+2 0.04756 -0.10235 -0.04522 0.01798 0.03079
|
|
259 10D-2 -0.08752 0.11371 0.02182 0.03966 0.01509
|
|
260 11D 0 0.01633 0.03497 -0.12378 0.07710 0.16961
|
|
261 11D+1 0.48892 0.39029 -0.72452 0.68734 -0.10093
|
|
262 11D-1 0.22494 -0.01108 -0.31287 -0.11838 0.32621
|
|
263 11D+2 -0.26276 -0.14645 0.43557 -0.45715 0.09129
|
|
264 11D-2 -0.39495 -0.05071 0.37981 0.17391 -0.64816
|
|
265 12D 0 -0.05500 -0.07159 -0.08388 0.06363 0.07354
|
|
266 12D+1 0.10533 0.12181 -0.35591 0.52018 -0.04444
|
|
267 12D-1 0.00331 -0.01356 -0.19126 -0.01314 0.27297
|
|
268 12D+2 -0.15611 -0.16013 0.19008 -0.35973 0.08536
|
|
269 12D-2 -0.01417 0.02380 0.34541 0.02206 -0.37898
|
|
270 13F 0 -0.12732 -0.06171 0.15432 -0.06416 -0.03018
|
|
271 13F+1 -0.06604 -0.05444 0.05693 -0.04930 0.06316
|
|
272 13F-1 -0.00524 0.00305 0.01661 0.00952 -0.02055
|
|
273 13F+2 0.12792 0.12120 -0.18548 0.14173 -0.04707
|
|
274 13F-2 0.12853 0.06544 -0.10421 -0.05120 0.11136
|
|
275 13F+3 -0.02177 -0.06683 0.07450 -0.09391 0.06073
|
|
276 13F-3 -0.10556 -0.03042 0.08126 0.04649 -0.12152
|
|
277 14F 0 0.02401 -0.03169 0.12808 -0.19982 -0.03917
|
|
278 14F+1 -0.04570 -0.02165 0.01869 -0.07361 0.05425
|
|
279 14F-1 -0.01068 0.01435 0.03354 0.03836 0.01352
|
|
280 14F+2 0.08293 0.03032 -0.11638 0.20356 -0.07050
|
|
281 14F-2 -0.03252 0.01391 -0.09400 -0.01980 0.20508
|
|
282 14F+3 -0.06510 0.03481 0.01947 -0.06906 0.09149
|
|
283 14F-3 -0.05382 -0.05075 0.06460 0.06047 -0.21628
|
|
284 15G 0 0.06877 0.00931 -0.08315 0.05919 0.01193
|
|
285 15G+1 -0.03727 -0.03933 0.07889 -0.05187 -0.01977
|
|
286 15G-1 0.01673 -0.05296 -0.00759 -0.02550 -0.00206
|
|
287 15G+2 -0.08537 -0.00348 0.08605 -0.04838 0.00606
|
|
288 15G-2 0.01395 -0.06633 0.01138 -0.00323 -0.00785
|
|
289 15G+3 0.13851 -0.02175 -0.13182 0.05574 -0.01059
|
|
290 15G-3 -0.01371 0.17249 -0.01942 0.00828 0.01877
|
|
291 15G+4 -0.06478 0.04020 0.05444 -0.01694 0.01233
|
|
292 15G-4 -0.02544 -0.09525 0.01250 0.01560 -0.02363
|
|
276 277 278 279 280
|
|
V V V V V
|
|
Eigenvalues -- 22.43425 22.66604 22.70045 22.86210 23.01564
|
|
1 1 O 1S -0.00106 0.00385 0.00024 -0.02575 0.00232
|
|
2 2S -0.01415 -0.01611 -0.01527 0.08396 -0.03595
|
|
3 3S -0.12080 -0.10061 -0.11816 0.51621 -0.27394
|
|
4 4S 0.49446 0.09211 0.32376 -0.48333 0.76303
|
|
5 5S -0.64676 0.41263 0.07107 -1.03807 -0.30748
|
|
6 6S -0.48346 0.50773 0.06535 -0.09628 -0.51059
|
|
7 7PX -0.05147 -0.16304 0.09727 0.04962 -0.10985
|
|
8 7PY 0.27818 0.05059 0.11164 0.11086 0.16026
|
|
9 7PZ 0.03779 0.18386 -0.22297 0.04974 -0.04108
|
|
10 8PX 0.17635 0.54509 -0.39298 0.01745 0.35721
|
|
11 8PY -0.93310 -0.16808 -0.40285 -0.56969 -0.63847
|
|
12 8PZ -0.10458 -0.69624 0.76892 -0.07338 -0.04031
|
|
13 9PX -0.35365 -1.07483 1.12516 -0.42154 -0.49523
|
|
14 9PY 1.80370 0.36644 0.86223 1.79839 1.47930
|
|
15 9PZ 0.12206 1.70342 -1.55652 -0.01920 0.77005
|
|
16 10PX 0.00868 -0.44886 0.79241 -0.72438 -0.28345
|
|
17 10PY 1.80087 0.36707 0.72317 -0.35054 1.46735
|
|
18 10PZ 0.47368 1.15133 -0.97587 -0.28519 -0.05812
|
|
19 11PX 0.01188 0.15212 0.02341 -0.06793 -0.00975
|
|
20 11PY 0.01229 -0.03276 0.01643 -0.00554 0.09467
|
|
21 11PZ -0.04533 0.03299 0.10924 -0.01805 0.05696
|
|
22 12D 0 0.31092 0.75080 -0.59935 -0.51866 0.21699
|
|
23 12D+1 -0.16165 0.19099 -0.40671 0.40863 -0.08717
|
|
24 12D-1 -0.17479 0.18768 0.27371 0.09500 0.87343
|
|
25 12D+2 -0.09294 -0.30245 0.39159 -0.72940 -0.00316
|
|
26 12D-2 0.88283 0.16418 0.16399 -0.13842 -0.15617
|
|
27 13D 0 -0.38094 -1.06964 0.89605 0.54351 -0.38350
|
|
28 13D+1 0.19679 -0.31500 0.59042 -0.44804 0.09597
|
|
29 13D-1 0.09124 -0.29145 -0.33517 -0.19295 -1.19799
|
|
30 13D+2 0.12592 0.50505 -0.56004 0.85587 0.11264
|
|
31 13D-2 -1.14061 -0.21326 -0.29392 0.07033 0.06283
|
|
32 14D 0 0.39572 2.12699 -2.04153 -0.04631 1.01691
|
|
33 14D+1 -0.22148 0.92472 -1.08462 -0.00565 0.25884
|
|
34 14D-1 0.64119 0.71518 0.35059 0.64826 1.82370
|
|
35 14D+2 -0.38562 -1.30213 1.14076 -0.86254 -0.70781
|
|
36 14D-2 1.84362 0.31145 0.92770 0.54123 0.85717
|
|
37 15D 0 0.14124 0.46049 -0.40353 -0.10472 0.37054
|
|
38 15D+1 0.06968 0.30958 -0.17809 -0.37918 0.08567
|
|
39 15D-1 0.11244 0.17714 0.06893 0.06782 0.58886
|
|
40 15D+2 0.15999 -0.23666 0.33371 -0.61963 0.00934
|
|
41 15D-2 0.23050 0.05870 0.19029 0.16411 0.40162
|
|
42 16F 0 0.01364 -0.16873 0.13344 -0.00785 -0.19321
|
|
43 16F+1 -0.00990 -0.56111 0.57752 -0.04264 -0.20431
|
|
44 16F-1 0.00800 -0.14750 0.13332 -0.01508 -0.05823
|
|
45 16F+2 0.22979 0.04164 0.06247 0.03988 0.03232
|
|
46 16F-2 -0.37271 -0.16287 -0.08174 -0.17544 -0.22940
|
|
47 16F+3 0.20781 0.26209 -0.12925 0.16049 0.29502
|
|
48 16F-3 -0.19108 0.01947 -0.17045 -0.10997 -0.07954
|
|
49 17F 0 -0.00283 0.30905 -0.30906 0.08398 0.23150
|
|
50 17F+1 0.02033 1.08025 -1.10704 0.04431 0.46881
|
|
51 17F-1 0.02743 0.30152 -0.24423 -0.03026 0.16710
|
|
52 17F+2 -0.35083 -0.04967 -0.13373 -0.22475 -0.15549
|
|
53 17F-2 0.66869 0.32909 0.17701 0.37010 0.58213
|
|
54 17F+3 -0.37131 -0.51755 0.26353 -0.37377 -0.58653
|
|
55 17F-3 0.39634 -0.01425 0.38542 0.14104 0.28066
|
|
56 18F 0 -0.15589 0.20901 -0.15163 0.02879 0.39601
|
|
57 18F+1 0.01105 0.75586 -0.76174 -0.01209 0.31230
|
|
58 18F-1 -0.03948 0.18379 -0.16577 0.30218 0.08910
|
|
59 18F+2 -0.36141 -0.02660 -0.01965 -0.23995 0.27559
|
|
60 18F-2 0.40725 0.22539 0.08394 0.26851 0.41195
|
|
61 18F+3 -0.35984 -0.31727 0.16294 -0.34461 -0.25019
|
|
62 18F-3 0.25153 -0.08385 0.21676 0.46539 0.13698
|
|
63 19G 0 0.01123 -0.02673 0.01291 -0.05718 -0.03815
|
|
64 19G+1 -0.00391 0.04261 -0.05409 0.04891 0.02732
|
|
65 19G-1 -0.06994 -0.00162 0.02117 -0.02099 0.14664
|
|
66 19G+2 0.01029 0.06280 -0.04671 -0.19233 0.03821
|
|
67 19G-2 0.01534 0.04484 -0.01669 0.00268 0.06026
|
|
68 19G+3 0.00640 -0.00637 0.00559 -0.09718 -0.07766
|
|
69 19G-3 -0.04380 0.02043 0.07212 0.03156 0.25535
|
|
70 19G+4 0.01642 0.00838 0.02488 -0.24951 -0.08672
|
|
71 19G-4 -0.01902 0.02540 0.03360 -0.02427 0.05941
|
|
72 20G 0 -0.05433 -0.25431 0.25194 0.07820 -0.11718
|
|
73 20G+1 0.04417 0.48803 -0.48396 0.04429 0.23619
|
|
74 20G-1 0.04897 0.08291 -0.19855 -0.01583 -0.30421
|
|
75 20G+2 -0.12877 0.37087 -0.48308 0.12092 0.07663
|
|
76 20G-2 0.17687 0.25411 -0.13969 0.14755 0.24246
|
|
77 20G+3 -0.30560 -0.18444 -0.03892 -0.18871 -0.23799
|
|
78 20G-3 0.48189 0.11393 0.06896 0.19563 0.00535
|
|
79 20G+4 -0.36547 -0.28768 0.02152 0.01726 -0.28616
|
|
80 20G-4 0.25078 -0.13706 0.22649 0.17978 0.07611
|
|
81 21H 0 0.02022 -0.21252 0.19673 -0.01338 -0.17535
|
|
82 21H+1 0.01533 -0.01695 0.02411 0.03079 0.00309
|
|
83 21H-1 -0.02081 -0.02494 -0.00835 -0.06532 -0.03742
|
|
84 21H+2 0.06468 0.25632 -0.28479 0.03336 0.01807
|
|
85 21H-2 -0.02167 0.11195 -0.12302 0.00918 0.03487
|
|
86 21H+3 -0.08648 0.07214 -0.15843 -0.04965 -0.02906
|
|
87 21H-3 0.14815 0.15602 -0.04872 0.03660 0.16576
|
|
88 21H+4 -0.14179 -0.12745 -0.03898 -0.13254 -0.26350
|
|
89 21H-4 0.14149 0.01594 0.08914 0.08755 0.10640
|
|
90 21H+5 -0.13132 -0.12399 0.00597 -0.05095 -0.13095
|
|
91 21H-5 0.10366 -0.05530 0.12282 -0.02726 0.03221
|
|
92 2 O 1S 0.00106 0.00385 -0.00024 -0.02575 -0.00232
|
|
93 2S 0.01415 -0.01611 0.01527 0.08396 0.03595
|
|
94 3S 0.12080 -0.10061 0.11816 0.51621 0.27394
|
|
95 4S -0.49446 0.09211 -0.32376 -0.48333 -0.76303
|
|
96 5S 0.64676 0.41263 -0.07107 -1.03807 0.30748
|
|
97 6S 0.48346 0.50773 -0.06535 -0.09628 0.51059
|
|
98 7PX -0.05147 0.16304 0.09727 -0.04962 -0.10985
|
|
99 7PY 0.27818 -0.05059 0.11164 -0.11086 0.16026
|
|
100 7PZ -0.03779 0.18386 0.22297 0.04974 0.04108
|
|
101 8PX 0.17635 -0.54509 -0.39298 -0.01745 0.35721
|
|
102 8PY -0.93310 0.16808 -0.40285 0.56969 -0.63847
|
|
103 8PZ 0.10458 -0.69624 -0.76892 -0.07338 0.04031
|
|
104 9PX -0.35365 1.07483 1.12516 0.42154 -0.49523
|
|
105 9PY 1.80370 -0.36644 0.86223 -1.79839 1.47930
|
|
106 9PZ -0.12206 1.70342 1.55652 -0.01920 -0.77005
|
|
107 10PX 0.00868 0.44886 0.79241 0.72438 -0.28345
|
|
108 10PY 1.80087 -0.36707 0.72317 0.35054 1.46735
|
|
109 10PZ -0.47368 1.15133 0.97587 -0.28519 0.05812
|
|
110 11PX 0.01188 -0.15212 0.02341 0.06793 -0.00975
|
|
111 11PY 0.01229 0.03276 0.01643 0.00554 0.09467
|
|
112 11PZ 0.04533 0.03299 -0.10924 -0.01805 -0.05696
|
|
113 12D 0 -0.31092 0.75080 0.59935 -0.51866 -0.21699
|
|
114 12D+1 -0.16165 -0.19099 -0.40671 -0.40863 -0.08717
|
|
115 12D-1 -0.17479 -0.18768 0.27371 -0.09500 0.87343
|
|
116 12D+2 0.09294 -0.30245 -0.39159 -0.72940 0.00316
|
|
117 12D-2 -0.88283 0.16418 -0.16399 -0.13842 0.15617
|
|
118 13D 0 0.38094 -1.06964 -0.89605 0.54351 0.38350
|
|
119 13D+1 0.19679 0.31500 0.59042 0.44804 0.09597
|
|
120 13D-1 0.09124 0.29145 -0.33517 0.19295 -1.19799
|
|
121 13D+2 -0.12592 0.50505 0.56004 0.85587 -0.11264
|
|
122 13D-2 1.14061 -0.21326 0.29392 0.07033 -0.06283
|
|
123 14D 0 -0.39572 2.12699 2.04153 -0.04631 -1.01691
|
|
124 14D+1 -0.22148 -0.92472 -1.08462 0.00565 0.25884
|
|
125 14D-1 0.64119 -0.71518 0.35059 -0.64826 1.82370
|
|
126 14D+2 0.38562 -1.30213 -1.14076 -0.86254 0.70781
|
|
127 14D-2 -1.84362 0.31145 -0.92770 0.54123 -0.85717
|
|
128 15D 0 -0.14124 0.46049 0.40353 -0.10472 -0.37054
|
|
129 15D+1 0.06968 -0.30958 -0.17809 0.37918 0.08567
|
|
130 15D-1 0.11244 -0.17714 0.06893 -0.06782 0.58886
|
|
131 15D+2 -0.15999 -0.23666 -0.33371 -0.61963 -0.00934
|
|
132 15D-2 -0.23050 0.05870 -0.19029 0.16411 -0.40162
|
|
133 16F 0 -0.01364 -0.16873 -0.13344 -0.00785 0.19321
|
|
134 16F+1 -0.00990 0.56111 0.57752 0.04264 -0.20431
|
|
135 16F-1 0.00800 0.14750 0.13332 0.01508 -0.05823
|
|
136 16F+2 -0.22979 0.04164 -0.06247 0.03988 -0.03232
|
|
137 16F-2 0.37271 -0.16287 0.08174 -0.17544 0.22940
|
|
138 16F+3 0.20781 -0.26209 -0.12925 -0.16049 0.29502
|
|
139 16F-3 -0.19108 -0.01947 -0.17045 0.10997 -0.07954
|
|
140 17F 0 0.00283 0.30905 0.30906 0.08398 -0.23150
|
|
141 17F+1 0.02033 -1.08025 -1.10704 -0.04431 0.46881
|
|
142 17F-1 0.02743 -0.30152 -0.24423 0.03026 0.16710
|
|
143 17F+2 0.35083 -0.04967 0.13373 -0.22475 0.15549
|
|
144 17F-2 -0.66869 0.32909 -0.17701 0.37010 -0.58213
|
|
145 17F+3 -0.37131 0.51755 0.26353 0.37377 -0.58653
|
|
146 17F-3 0.39634 0.01425 0.38542 -0.14104 0.28066
|
|
147 18F 0 0.15589 0.20901 0.15163 0.02879 -0.39601
|
|
148 18F+1 0.01105 -0.75586 -0.76174 0.01209 0.31230
|
|
149 18F-1 -0.03948 -0.18379 -0.16577 -0.30218 0.08910
|
|
150 18F+2 0.36141 -0.02660 0.01965 -0.23995 -0.27559
|
|
151 18F-2 -0.40725 0.22539 -0.08394 0.26851 -0.41195
|
|
152 18F+3 -0.35984 0.31727 0.16294 0.34461 -0.25019
|
|
153 18F-3 0.25153 0.08385 0.21676 -0.46539 0.13698
|
|
154 19G 0 -0.01123 -0.02673 -0.01291 -0.05718 0.03815
|
|
155 19G+1 -0.00391 -0.04261 -0.05409 -0.04891 0.02732
|
|
156 19G-1 -0.06994 0.00162 0.02117 0.02099 0.14664
|
|
157 19G+2 -0.01029 0.06280 0.04671 -0.19233 -0.03821
|
|
158 19G-2 -0.01534 0.04484 0.01669 0.00268 -0.06026
|
|
159 19G+3 0.00640 0.00637 0.00559 0.09718 -0.07766
|
|
160 19G-3 -0.04380 -0.02043 0.07212 -0.03156 0.25535
|
|
161 19G+4 -0.01642 0.00838 -0.02488 -0.24951 0.08672
|
|
162 19G-4 0.01902 0.02540 -0.03360 -0.02427 -0.05941
|
|
163 20G 0 0.05433 -0.25431 -0.25194 0.07820 0.11718
|
|
164 20G+1 0.04417 -0.48803 -0.48396 -0.04429 0.23619
|
|
165 20G-1 0.04897 -0.08291 -0.19855 0.01583 -0.30421
|
|
166 20G+2 0.12877 0.37087 0.48308 0.12092 -0.07663
|
|
167 20G-2 -0.17687 0.25411 0.13969 0.14755 -0.24246
|
|
168 20G+3 -0.30560 0.18444 -0.03892 0.18871 -0.23799
|
|
169 20G-3 0.48189 -0.11393 0.06896 -0.19563 0.00535
|
|
170 20G+4 0.36547 -0.28768 -0.02152 0.01726 0.28616
|
|
171 20G-4 -0.25078 -0.13706 -0.22649 0.17978 -0.07611
|
|
172 21H 0 -0.02022 -0.21252 -0.19673 -0.01338 0.17535
|
|
173 21H+1 0.01533 0.01695 0.02411 -0.03079 0.00309
|
|
174 21H-1 -0.02081 0.02494 -0.00835 0.06532 -0.03742
|
|
175 21H+2 -0.06468 0.25632 0.28479 0.03336 -0.01807
|
|
176 21H-2 0.02167 0.11195 0.12302 0.00918 -0.03487
|
|
177 21H+3 -0.08648 -0.07214 -0.15843 0.04965 -0.02906
|
|
178 21H-3 0.14815 -0.15602 -0.04872 -0.03660 0.16576
|
|
179 21H+4 0.14179 -0.12745 0.03898 -0.13254 0.26350
|
|
180 21H-4 -0.14149 0.01594 -0.08914 0.08755 -0.10640
|
|
181 21H+5 -0.13132 0.12399 0.00597 0.05095 -0.13095
|
|
182 21H-5 0.10366 0.05530 0.12282 0.02726 0.03221
|
|
183 3 H 1S -0.01124 0.02300 0.01018 -0.14900 0.05929
|
|
184 2S 0.10637 0.02561 0.11564 0.32891 -0.01242
|
|
185 3S -0.50338 -0.50444 -0.56314 0.99970 -0.56664
|
|
186 4S -0.03559 -0.54879 -0.32279 0.14833 -0.04918
|
|
187 5S 0.02281 0.03694 0.02242 -0.01725 -0.01447
|
|
188 6PX -0.05265 -0.20966 0.12931 0.06625 -0.20822
|
|
189 6PY 0.23902 0.06526 0.12482 0.22952 0.20505
|
|
190 6PZ 0.00978 0.24274 -0.27232 0.09942 0.08822
|
|
191 7PX 0.09699 0.37810 -0.29241 -0.18584 0.29926
|
|
192 7PY -0.49638 -0.12852 -0.24557 -0.41300 -0.33194
|
|
193 7PZ -0.02631 -0.47557 0.48018 -0.22498 -0.20941
|
|
194 8PX 0.62142 1.65274 -0.87282 0.12397 1.21763
|
|
195 8PY -1.70161 -0.45640 -0.68024 -1.14641 -1.41735
|
|
196 8PZ 0.03096 -1.82619 2.20235 -0.31706 -0.63440
|
|
197 9PX 0.07503 0.41921 -0.03109 -0.02160 0.24247
|
|
198 9PY -0.22197 0.00620 -0.04295 -0.10721 -0.24378
|
|
199 9PZ 0.01006 -0.16101 0.40183 -0.08562 -0.10109
|
|
200 10D 0 -0.00579 -0.02503 0.03241 -0.01132 -0.00362
|
|
201 10D+1 0.01133 -0.01412 0.03318 0.06729 0.01623
|
|
202 10D-1 -0.01313 -0.00830 0.00955 -0.01593 -0.01582
|
|
203 10D+2 -0.00426 0.02120 0.00130 0.05310 0.07535
|
|
204 10D-2 0.00745 -0.00222 -0.01376 -0.03080 -0.04449
|
|
205 11D 0 0.05737 1.30452 -1.32470 0.09877 0.58383
|
|
206 11D+1 -0.17661 0.52100 -0.79072 0.05882 0.02501
|
|
207 11D-1 0.70678 0.44008 0.03435 0.50145 0.65834
|
|
208 11D+2 -0.48780 -0.92650 0.49124 -0.29775 -0.89028
|
|
209 11D-2 0.91020 0.10219 0.60471 0.69802 0.74561
|
|
210 12D 0 0.03969 0.77007 -0.76387 0.12522 0.33412
|
|
211 12D+1 -0.07835 0.28288 -0.48221 -0.08969 0.01561
|
|
212 12D-1 0.41700 0.22398 -0.03275 0.24208 0.35700
|
|
213 12D+2 -0.23888 -0.54960 0.30865 -0.16086 -0.49318
|
|
214 12D-2 0.57037 0.04139 0.30804 0.29149 0.36471
|
|
215 13F 0 -0.00787 -0.13919 0.11493 0.05448 -0.09389
|
|
216 13F+1 -0.00582 -0.41686 0.44334 -0.05261 -0.18840
|
|
217 13F-1 -0.05034 -0.11923 0.07967 -0.03610 -0.09199
|
|
218 13F+2 0.12067 0.04315 0.09038 0.00716 0.15431
|
|
219 13F-2 -0.22376 -0.11917 -0.06080 -0.22953 -0.27902
|
|
220 13F+3 0.16299 0.21821 -0.09460 0.10929 0.24868
|
|
221 13F-3 -0.18962 0.02455 -0.17287 -0.16508 -0.15020
|
|
222 14F 0 0.00124 -0.18831 0.15801 -0.05888 -0.10111
|
|
223 14F+1 0.00578 -0.60149 0.64579 -0.04263 -0.25718
|
|
224 14F-1 -0.10121 -0.15211 0.14217 -0.08207 -0.10007
|
|
225 14F+2 0.16194 0.03215 0.09545 0.14038 0.17961
|
|
226 14F-2 -0.38791 -0.17934 -0.07144 -0.22579 -0.30693
|
|
227 14F+3 0.21641 0.32327 -0.12299 0.15538 0.37633
|
|
228 14F-3 -0.28345 0.02586 -0.26332 -0.21149 -0.18154
|
|
229 15G 0 -0.00095 -0.05768 0.08356 -0.03118 -0.02338
|
|
230 15G+1 0.00093 0.13831 -0.12530 -0.00466 0.11153
|
|
231 15G-1 -0.00711 0.02254 -0.03318 -0.02931 -0.01446
|
|
232 15G+2 -0.01477 0.10404 -0.12911 -0.00245 0.02087
|
|
233 15G-2 0.04018 0.07082 -0.04755 0.06835 0.09654
|
|
234 15G+3 -0.06198 -0.05219 -0.01645 -0.06048 -0.15283
|
|
235 15G-3 0.07586 0.03106 0.05207 0.13228 0.13292
|
|
236 15G+4 -0.05900 -0.07263 0.01115 -0.07679 -0.13110
|
|
237 15G-4 0.04788 -0.02463 0.06842 0.07408 0.03644
|
|
238 4 H 1S 0.01124 0.02300 -0.01018 -0.14900 -0.05929
|
|
239 2S -0.10637 0.02561 -0.11564 0.32891 0.01242
|
|
240 3S 0.50338 -0.50444 0.56314 0.99970 0.56664
|
|
241 4S 0.03559 -0.54879 0.32279 0.14833 0.04918
|
|
242 5S -0.02281 0.03694 -0.02242 -0.01725 0.01447
|
|
243 6PX -0.05265 0.20966 0.12931 -0.06625 -0.20822
|
|
244 6PY 0.23902 -0.06526 0.12482 -0.22952 0.20505
|
|
245 6PZ -0.00978 0.24274 0.27232 0.09942 -0.08822
|
|
246 7PX 0.09699 -0.37810 -0.29241 0.18584 0.29926
|
|
247 7PY -0.49638 0.12852 -0.24557 0.41300 -0.33194
|
|
248 7PZ 0.02631 -0.47557 -0.48018 -0.22498 0.20941
|
|
249 8PX 0.62142 -1.65274 -0.87282 -0.12397 1.21763
|
|
250 8PY -1.70161 0.45640 -0.68024 1.14641 -1.41735
|
|
251 8PZ -0.03096 -1.82619 -2.20235 -0.31706 0.63440
|
|
252 9PX 0.07503 -0.41921 -0.03109 0.02160 0.24247
|
|
253 9PY -0.22197 -0.00620 -0.04295 0.10721 -0.24378
|
|
254 9PZ -0.01006 -0.16101 -0.40183 -0.08562 0.10109
|
|
255 10D 0 0.00579 -0.02503 -0.03241 -0.01132 0.00362
|
|
256 10D+1 0.01133 0.01412 0.03318 -0.06729 0.01623
|
|
257 10D-1 -0.01313 0.00830 0.00955 0.01593 -0.01582
|
|
258 10D+2 0.00426 0.02120 -0.00130 0.05310 -0.07535
|
|
259 10D-2 -0.00745 -0.00222 0.01376 -0.03080 0.04449
|
|
260 11D 0 -0.05737 1.30452 1.32470 0.09877 -0.58383
|
|
261 11D+1 -0.17661 -0.52100 -0.79072 -0.05882 0.02501
|
|
262 11D-1 0.70678 -0.44008 0.03435 -0.50145 0.65834
|
|
263 11D+2 0.48780 -0.92650 -0.49124 -0.29775 0.89028
|
|
264 11D-2 -0.91020 0.10219 -0.60471 0.69802 -0.74561
|
|
265 12D 0 -0.03969 0.77007 0.76387 0.12522 -0.33412
|
|
266 12D+1 -0.07835 -0.28288 -0.48221 0.08969 0.01561
|
|
267 12D-1 0.41700 -0.22398 -0.03275 -0.24208 0.35700
|
|
268 12D+2 0.23888 -0.54960 -0.30865 -0.16086 0.49318
|
|
269 12D-2 -0.57037 0.04139 -0.30804 0.29149 -0.36471
|
|
270 13F 0 0.00787 -0.13919 -0.11493 0.05448 0.09389
|
|
271 13F+1 -0.00582 0.41686 0.44334 0.05261 -0.18840
|
|
272 13F-1 -0.05034 0.11923 0.07967 0.03610 -0.09199
|
|
273 13F+2 -0.12067 0.04315 -0.09038 0.00716 -0.15431
|
|
274 13F-2 0.22376 -0.11917 0.06080 -0.22953 0.27902
|
|
275 13F+3 0.16299 -0.21821 -0.09460 -0.10929 0.24868
|
|
276 13F-3 -0.18962 -0.02455 -0.17287 0.16508 -0.15020
|
|
277 14F 0 -0.00124 -0.18831 -0.15801 -0.05888 0.10111
|
|
278 14F+1 0.00578 0.60149 0.64579 0.04263 -0.25718
|
|
279 14F-1 -0.10121 0.15211 0.14217 0.08207 -0.10007
|
|
280 14F+2 -0.16194 0.03215 -0.09545 0.14038 -0.17961
|
|
281 14F-2 0.38791 -0.17934 0.07144 -0.22579 0.30693
|
|
282 14F+3 0.21641 -0.32327 -0.12299 -0.15538 0.37633
|
|
283 14F-3 -0.28345 -0.02586 -0.26332 0.21149 -0.18154
|
|
284 15G 0 0.00095 -0.05768 -0.08356 -0.03118 0.02338
|
|
285 15G+1 0.00093 -0.13831 -0.12530 0.00466 0.11153
|
|
286 15G-1 -0.00711 -0.02254 -0.03318 0.02931 -0.01446
|
|
287 15G+2 0.01477 0.10404 0.12911 -0.00245 -0.02087
|
|
288 15G-2 -0.04018 0.07082 0.04755 0.06835 -0.09654
|
|
289 15G+3 -0.06198 0.05219 -0.01645 0.06048 -0.15283
|
|
290 15G-3 0.07586 -0.03106 0.05207 -0.13228 0.13292
|
|
291 15G+4 0.05900 -0.07263 -0.01115 -0.07679 0.13110
|
|
292 15G-4 -0.04788 -0.02463 -0.06842 0.07408 -0.03644
|
|
281 282 283 284 285
|
|
V V V V V
|
|
Eigenvalues -- 23.06854 23.57354 23.60646 23.62447 23.80352
|
|
1 1 O 1S 0.00267 -0.00087 0.00264 -0.00066 0.01571
|
|
2 2S -0.02147 -0.02850 -0.00701 0.02590 -0.02683
|
|
3 3S -0.14269 -0.22612 -0.04344 0.20512 -0.14245
|
|
4 4S 0.16433 0.72303 0.02424 -0.64283 -0.09656
|
|
5 5S 0.76567 -0.45935 0.12784 0.45900 0.26943
|
|
6 6S -0.46586 -0.12855 -0.11203 0.28581 0.01312
|
|
7 7PX -0.09792 -0.06007 -0.04988 -0.00186 0.05811
|
|
8 7PY 0.14879 -0.00670 0.01644 -0.02660 0.05605
|
|
9 7PZ -0.08171 -0.00006 0.06014 0.09446 0.01051
|
|
10 8PX 0.20196 0.20000 0.32441 0.20192 -0.18271
|
|
11 8PY -0.66462 0.31830 -0.09597 -0.06459 -0.35369
|
|
12 8PZ 0.30685 -0.18907 -0.44428 -0.46480 -0.00347
|
|
13 9PX 0.13321 -0.16633 -1.01013 -1.02703 -0.05887
|
|
14 9PY 1.78145 -1.33590 0.26642 0.51890 0.94925
|
|
15 9PZ -0.59525 0.99312 1.43882 1.09735 -0.27542
|
|
16 10PX -0.30069 -0.02282 -0.27417 -0.16755 0.61300
|
|
17 10PY 1.40224 -0.09505 0.20988 -0.26778 0.51880
|
|
18 10PZ -0.41903 0.17861 0.33403 0.43849 0.12068
|
|
19 11PX 0.02554 0.04209 -0.01860 -0.00688 -0.00357
|
|
20 11PY 0.08739 0.01987 0.01839 -0.03416 0.00887
|
|
21 11PZ -0.07258 0.02746 -0.00160 -0.01123 -0.00015
|
|
22 12D 0 -0.00280 -0.18792 -0.49479 -0.55177 0.27790
|
|
23 12D+1 -0.20620 -0.30165 -0.25726 -0.10559 0.14724
|
|
24 12D-1 -0.11025 0.32156 -0.16751 -0.40402 -0.27607
|
|
25 12D+2 0.01903 0.10244 0.37701 0.28333 0.30585
|
|
26 12D-2 0.74958 0.41625 0.00785 -0.10927 -0.76099
|
|
27 13D 0 0.12172 0.06539 0.40412 0.53696 -0.29192
|
|
28 13D+1 0.35280 0.31263 0.22242 0.03705 -0.19798
|
|
29 13D-1 -0.00644 -0.28421 0.13427 0.41879 0.23186
|
|
30 13D+2 0.04066 -0.15893 -0.32215 -0.19247 -0.35898
|
|
31 13D-2 -1.17998 -0.28418 -0.03268 0.05604 0.80534
|
|
32 14D 0 -0.87837 0.98017 1.13947 0.71451 -0.17857
|
|
33 14D+1 -0.75846 0.48031 0.50113 0.38514 -0.06875
|
|
34 14D-1 0.96098 -0.54550 0.39797 0.30760 0.57393
|
|
35 14D+2 -0.32101 0.38400 -0.76087 -0.98039 -0.13507
|
|
36 14D-2 2.65843 -1.27610 0.15463 0.43731 0.51359
|
|
37 15D 0 -0.14261 0.26099 0.28734 0.11424 0.04533
|
|
38 15D+1 -0.10268 0.16393 0.13833 0.07720 0.10838
|
|
39 15D-1 0.46348 -0.13031 0.10901 -0.02076 0.11531
|
|
40 15D+2 0.12332 0.15656 -0.12292 -0.28243 0.18569
|
|
41 15D-2 0.82810 -0.37286 0.08455 0.07417 -0.12389
|
|
42 16F 0 0.08361 -0.11414 -0.11408 -0.05218 0.05713
|
|
43 16F+1 0.24294 -0.26598 -0.40224 -0.32611 0.08932
|
|
44 16F-1 -0.02118 0.05381 -0.11839 -0.15579 -0.03613
|
|
45 16F+2 0.23824 -0.13441 0.01824 0.06210 0.07750
|
|
46 16F-2 -0.36022 0.28382 -0.12221 -0.20175 -0.25817
|
|
47 16F+3 0.04641 -0.07845 0.19650 0.20473 0.14599
|
|
48 16F-3 -0.35579 0.39084 0.02151 -0.12591 -0.25344
|
|
49 17F 0 -0.20092 0.24101 0.32588 0.24437 -0.13708
|
|
50 17F+1 -0.55155 0.76207 1.13602 0.91071 -0.25858
|
|
51 17F-1 0.06832 -0.05434 0.32896 0.35929 0.12951
|
|
52 17F+2 -0.45539 0.40668 -0.04185 -0.17346 -0.25957
|
|
53 17F-2 0.84211 -0.74714 0.33483 0.52518 0.74033
|
|
54 17F+3 -0.25473 0.23516 -0.55962 -0.61187 -0.33016
|
|
55 17F-3 0.85195 -0.93194 -0.04972 0.23744 0.74680
|
|
56 18F 0 -0.02733 0.15090 0.09898 -0.06188 -0.05078
|
|
57 18F+1 -0.23729 0.23105 0.31639 0.23496 -0.09550
|
|
58 18F-1 -0.05726 -0.06731 0.05113 0.13572 -0.08526
|
|
59 18F+2 -0.21265 0.18918 -0.01748 -0.16572 0.00975
|
|
60 18F-2 0.49922 -0.29495 0.10302 0.14382 0.09544
|
|
61 18F+3 0.22432 0.05294 -0.12720 -0.15365 -0.35573
|
|
62 18F-3 0.46073 -0.38313 -0.02299 0.11144 -0.01272
|
|
63 19G 0 0.02338 -0.09487 -0.14246 -0.12618 0.06803
|
|
64 19G+1 -0.07333 0.16053 0.29039 0.25727 -0.05399
|
|
65 19G-1 -0.02527 0.11375 0.04511 -0.02894 -0.06258
|
|
66 19G+2 -0.04881 0.22379 0.25366 0.16159 -0.05740
|
|
67 19G-2 0.11860 -0.03093 0.16076 0.17113 0.05496
|
|
68 19G+3 -0.09519 0.16573 -0.09551 -0.15190 -0.11605
|
|
69 19G-3 0.14254 -0.20214 0.05492 0.07994 0.25953
|
|
70 19G+4 -0.06571 0.11001 -0.13355 -0.17475 -0.05742
|
|
71 19G-4 0.26751 -0.18538 -0.04343 -0.00230 0.07621
|
|
72 20G 0 0.11458 -0.11970 -0.16895 -0.10589 -0.04641
|
|
73 20G+1 -0.17507 0.20411 0.30427 0.23331 -0.10190
|
|
74 20G-1 -0.15137 0.04581 0.04365 0.12095 -0.06379
|
|
75 20G+2 -0.31186 0.18539 0.22790 0.22896 -0.12599
|
|
76 20G-2 -0.01978 -0.06288 0.17485 0.18239 0.16456
|
|
77 20G+3 -0.27693 0.16369 -0.11293 -0.13819 -0.17407
|
|
78 20G-3 0.43274 -0.37988 0.08500 0.23813 0.23882
|
|
79 20G+4 -0.22855 0.07265 -0.17672 -0.15687 -0.20034
|
|
80 20G-4 0.02171 -0.25545 -0.06749 0.01374 0.35269
|
|
81 21H 0 0.10502 -0.15527 -0.21891 -0.15450 0.04951
|
|
82 21H+1 0.00973 -0.01811 -0.01506 -0.01336 -0.00536
|
|
83 21H-1 -0.05950 0.07702 -0.02300 -0.05943 -0.04154
|
|
84 21H+2 -0.11129 0.13869 0.26206 0.24974 -0.05640
|
|
85 21H-2 -0.08397 0.10314 0.11450 0.08526 -0.03599
|
|
86 21H+3 -0.22798 0.18537 0.08601 0.03888 -0.07981
|
|
87 21H-3 0.10765 -0.06616 0.15938 0.15332 0.13542
|
|
88 21H+4 -0.20856 0.15333 -0.12187 -0.13536 -0.16844
|
|
89 21H-4 0.21439 -0.21604 0.01538 0.06728 0.20554
|
|
90 21H+5 -0.24981 0.11569 -0.10759 -0.12885 -0.05324
|
|
91 21H-5 0.12495 -0.11792 -0.05719 -0.03522 0.11805
|
|
92 2 O 1S 0.00267 0.00087 0.00264 0.00066 0.01571
|
|
93 2S -0.02147 0.02850 -0.00701 -0.02590 -0.02683
|
|
94 3S -0.14269 0.22612 -0.04344 -0.20512 -0.14245
|
|
95 4S 0.16433 -0.72303 0.02424 0.64283 -0.09656
|
|
96 5S 0.76567 0.45935 0.12784 -0.45900 0.26943
|
|
97 6S -0.46586 0.12855 -0.11203 -0.28581 0.01312
|
|
98 7PX 0.09792 -0.06007 0.04988 -0.00186 -0.05811
|
|
99 7PY -0.14879 -0.00670 -0.01644 -0.02660 -0.05605
|
|
100 7PZ -0.08171 0.00006 0.06014 -0.09446 0.01051
|
|
101 8PX -0.20196 0.20000 -0.32441 0.20192 0.18271
|
|
102 8PY 0.66462 0.31830 0.09597 -0.06459 0.35369
|
|
103 8PZ 0.30685 0.18907 -0.44428 0.46480 -0.00347
|
|
104 9PX -0.13321 -0.16633 1.01013 -1.02703 0.05887
|
|
105 9PY -1.78145 -1.33590 -0.26642 0.51890 -0.94925
|
|
106 9PZ -0.59525 -0.99312 1.43882 -1.09735 -0.27542
|
|
107 10PX 0.30069 -0.02282 0.27417 -0.16755 -0.61300
|
|
108 10PY -1.40224 -0.09505 -0.20988 -0.26778 -0.51880
|
|
109 10PZ -0.41903 -0.17861 0.33403 -0.43849 0.12068
|
|
110 11PX -0.02554 0.04209 0.01860 -0.00688 0.00357
|
|
111 11PY -0.08739 0.01987 -0.01839 -0.03416 -0.00887
|
|
112 11PZ -0.07258 -0.02746 -0.00160 0.01123 -0.00015
|
|
113 12D 0 -0.00280 0.18792 -0.49479 0.55177 0.27790
|
|
114 12D+1 0.20620 -0.30165 0.25726 -0.10559 -0.14724
|
|
115 12D-1 0.11025 0.32156 0.16751 -0.40402 0.27607
|
|
116 12D+2 0.01903 -0.10244 0.37701 -0.28333 0.30585
|
|
117 12D-2 0.74958 -0.41625 0.00785 0.10927 -0.76099
|
|
118 13D 0 0.12172 -0.06539 0.40412 -0.53696 -0.29192
|
|
119 13D+1 -0.35280 0.31263 -0.22242 0.03705 0.19798
|
|
120 13D-1 0.00644 -0.28421 -0.13427 0.41879 -0.23186
|
|
121 13D+2 0.04066 0.15893 -0.32215 0.19247 -0.35898
|
|
122 13D-2 -1.17998 0.28418 -0.03268 -0.05604 0.80534
|
|
123 14D 0 -0.87837 -0.98017 1.13947 -0.71451 -0.17857
|
|
124 14D+1 0.75846 0.48031 -0.50113 0.38514 0.06875
|
|
125 14D-1 -0.96098 -0.54550 -0.39797 0.30760 -0.57393
|
|
126 14D+2 -0.32101 -0.38400 -0.76087 0.98039 -0.13507
|
|
127 14D-2 2.65843 1.27610 0.15463 -0.43731 0.51359
|
|
128 15D 0 -0.14261 -0.26099 0.28734 -0.11424 0.04533
|
|
129 15D+1 0.10268 0.16393 -0.13833 0.07720 -0.10838
|
|
130 15D-1 -0.46348 -0.13031 -0.10901 -0.02076 -0.11531
|
|
131 15D+2 0.12332 -0.15656 -0.12292 0.28243 0.18569
|
|
132 15D-2 0.82810 0.37286 0.08455 -0.07417 -0.12389
|
|
133 16F 0 0.08361 0.11414 -0.11408 0.05218 0.05713
|
|
134 16F+1 -0.24294 -0.26598 0.40224 -0.32611 -0.08932
|
|
135 16F-1 0.02118 0.05381 0.11839 -0.15579 0.03613
|
|
136 16F+2 0.23824 0.13441 0.01824 -0.06210 0.07750
|
|
137 16F-2 -0.36022 -0.28382 -0.12221 0.20175 -0.25817
|
|
138 16F+3 -0.04641 -0.07845 -0.19650 0.20473 -0.14599
|
|
139 16F-3 0.35579 0.39084 -0.02151 -0.12591 0.25344
|
|
140 17F 0 -0.20092 -0.24101 0.32588 -0.24437 -0.13708
|
|
141 17F+1 0.55155 0.76207 -1.13602 0.91071 0.25858
|
|
142 17F-1 -0.06832 -0.05434 -0.32896 0.35929 -0.12951
|
|
143 17F+2 -0.45539 -0.40668 -0.04185 0.17346 -0.25957
|
|
144 17F-2 0.84211 0.74714 0.33483 -0.52518 0.74033
|
|
145 17F+3 0.25473 0.23516 0.55962 -0.61187 0.33016
|
|
146 17F-3 -0.85195 -0.93194 0.04972 0.23744 -0.74680
|
|
147 18F 0 -0.02733 -0.15090 0.09898 0.06188 -0.05078
|
|
148 18F+1 0.23729 0.23105 -0.31639 0.23496 0.09550
|
|
149 18F-1 0.05726 -0.06731 -0.05113 0.13572 0.08526
|
|
150 18F+2 -0.21265 -0.18918 -0.01748 0.16572 0.00975
|
|
151 18F-2 0.49922 0.29495 0.10302 -0.14382 0.09544
|
|
152 18F+3 -0.22432 0.05294 0.12720 -0.15365 0.35573
|
|
153 18F-3 -0.46073 -0.38313 0.02299 0.11144 0.01272
|
|
154 19G 0 0.02338 0.09487 -0.14246 0.12618 0.06803
|
|
155 19G+1 0.07333 0.16053 -0.29039 0.25727 0.05399
|
|
156 19G-1 0.02527 0.11375 -0.04511 -0.02894 0.06258
|
|
157 19G+2 -0.04881 -0.22379 0.25366 -0.16159 -0.05740
|
|
158 19G-2 0.11860 0.03093 0.16076 -0.17113 0.05496
|
|
159 19G+3 0.09519 0.16573 0.09551 -0.15190 0.11605
|
|
160 19G-3 -0.14254 -0.20214 -0.05492 0.07994 -0.25953
|
|
161 19G+4 -0.06571 -0.11001 -0.13355 0.17475 -0.05742
|
|
162 19G-4 0.26751 0.18538 -0.04343 0.00230 0.07621
|
|
163 20G 0 0.11458 0.11970 -0.16895 0.10589 -0.04641
|
|
164 20G+1 0.17507 0.20411 -0.30427 0.23331 0.10190
|
|
165 20G-1 0.15137 0.04581 -0.04365 0.12095 0.06379
|
|
166 20G+2 -0.31186 -0.18539 0.22790 -0.22896 -0.12599
|
|
167 20G-2 -0.01978 0.06288 0.17485 -0.18239 0.16456
|
|
168 20G+3 0.27693 0.16369 0.11293 -0.13819 0.17407
|
|
169 20G-3 -0.43274 -0.37988 -0.08500 0.23813 -0.23882
|
|
170 20G+4 -0.22855 -0.07265 -0.17672 0.15687 -0.20034
|
|
171 20G-4 0.02171 0.25545 -0.06749 -0.01374 0.35269
|
|
172 21H 0 0.10502 0.15527 -0.21891 0.15450 0.04951
|
|
173 21H+1 -0.00973 -0.01811 0.01506 -0.01336 0.00536
|
|
174 21H-1 0.05950 0.07702 0.02300 -0.05943 0.04154
|
|
175 21H+2 -0.11129 -0.13869 0.26206 -0.24974 -0.05640
|
|
176 21H-2 -0.08397 -0.10314 0.11450 -0.08526 -0.03599
|
|
177 21H+3 0.22798 0.18537 -0.08601 0.03888 0.07981
|
|
178 21H-3 -0.10765 -0.06616 -0.15938 0.15332 -0.13542
|
|
179 21H+4 -0.20856 -0.15333 -0.12187 0.13536 -0.16844
|
|
180 21H-4 0.21439 0.21604 0.01538 -0.06728 0.20554
|
|
181 21H+5 0.24981 0.11569 0.10759 -0.12885 0.05324
|
|
182 21H-5 -0.12495 -0.11792 0.05719 -0.03522 -0.11805
|
|
183 3 H 1S 0.05772 -0.00809 0.01346 -0.00453 0.09210
|
|
184 2S -0.02713 0.25714 -0.04335 -0.13731 -0.44525
|
|
185 3S -0.55947 -0.45227 -0.05594 0.25366 0.01774
|
|
186 4S 0.39182 -0.09303 0.09056 0.00865 -0.03366
|
|
187 5S -0.03269 -0.02505 -0.00346 0.00985 0.00791
|
|
188 6PX -0.03483 -0.09466 -0.27885 -0.22698 -0.06089
|
|
189 6PY 0.32992 -0.41198 0.08695 0.20205 0.34175
|
|
190 6PZ -0.17821 0.21978 0.37031 0.32853 -0.11051
|
|
191 7PX -0.00579 0.05115 0.48870 0.46226 0.30849
|
|
192 7PY -0.54820 0.67634 -0.14510 -0.33890 -0.57117
|
|
193 7PZ 0.27928 -0.44469 -0.62121 -0.51229 0.32657
|
|
194 8PX 0.19302 0.50066 0.87338 0.55522 -0.15369
|
|
195 8PY -2.33954 1.62291 -0.34216 -0.67052 -0.97315
|
|
196 8PZ 1.09913 -0.64265 -1.16621 -1.03530 0.03317
|
|
197 9PX -0.09917 0.07455 0.06869 0.02736 -0.00177
|
|
198 9PY -0.57000 0.23565 -0.07866 -0.07041 -0.09414
|
|
199 9PZ 0.15254 -0.03501 -0.14495 -0.09401 0.01100
|
|
200 10D 0 0.03549 -0.03502 -0.04479 -0.04008 -0.00289
|
|
201 10D+1 0.03011 0.02041 -0.02773 -0.04215 -0.08829
|
|
202 10D-1 -0.04894 0.03126 -0.01252 -0.03039 -0.03118
|
|
203 10D+2 0.04799 0.03305 0.02768 -0.00143 -0.08377
|
|
204 10D-2 -0.04266 0.06823 -0.00344 -0.02087 -0.04566
|
|
205 11D 0 -0.66311 0.83301 1.25063 1.01836 -0.22675
|
|
206 11D+1 -0.61900 0.45544 0.54530 0.48371 -0.20973
|
|
207 11D-1 0.84527 -0.70359 0.41274 0.60883 0.63768
|
|
208 11D+2 -0.36387 -0.00901 -0.85278 -0.75487 -0.18105
|
|
209 11D-2 1.38572 -1.35100 0.10054 0.44619 1.00029
|
|
210 12D 0 -0.42241 0.26616 0.33441 0.23606 -0.07167
|
|
211 12D+1 -0.33071 0.10231 0.16404 0.14780 0.06838
|
|
212 12D-1 0.45259 -0.27037 0.14634 0.16547 0.15407
|
|
213 12D+2 -0.25827 0.00732 -0.24434 -0.17471 -0.02036
|
|
214 12D-2 0.81866 -0.45785 0.04287 0.15755 0.26426
|
|
215 13F 0 0.03237 -0.13391 -0.19196 -0.13833 0.03597
|
|
216 13F+1 0.25993 -0.41003 -0.61985 -0.51583 0.16950
|
|
217 13F-1 -0.00695 -0.00886 -0.16428 -0.17095 -0.05542
|
|
218 13F+2 0.21926 -0.19563 0.03357 0.06420 0.21303
|
|
219 13F-2 -0.37667 0.41058 -0.17337 -0.28530 -0.37036
|
|
220 13F+3 0.15894 -0.11956 0.31695 0.33139 0.19804
|
|
221 13F-3 -0.36534 0.45442 0.03388 -0.08971 -0.36781
|
|
222 14F 0 0.11195 -0.13090 -0.14360 -0.10149 0.05467
|
|
223 14F+1 0.35215 -0.34046 -0.51226 -0.40804 0.09046
|
|
224 14F-1 -0.02527 -0.00818 -0.14054 -0.13101 -0.01852
|
|
225 14F+2 0.30164 -0.15452 0.02513 0.03923 0.06982
|
|
226 14F-2 -0.46412 0.37821 -0.15365 -0.25274 -0.32491
|
|
227 14F+3 0.25133 -0.08740 0.25517 0.25021 0.11111
|
|
228 14F-3 -0.43563 0.40202 0.03143 -0.09258 -0.28277
|
|
229 15G 0 0.06899 -0.09890 -0.17711 -0.15810 0.03516
|
|
230 15G+1 -0.06941 0.21669 0.35039 0.28037 -0.08114
|
|
231 15G-1 -0.07741 0.10495 0.05490 0.02710 -0.06626
|
|
232 15G+2 -0.14759 0.23976 0.28179 0.22356 -0.13239
|
|
233 15G-2 0.06047 -0.05396 0.19281 0.21348 0.09949
|
|
234 15G+3 -0.16486 0.17173 -0.12131 -0.15577 -0.19787
|
|
235 15G-3 0.20543 -0.31134 0.07329 0.16635 0.28840
|
|
236 15G+4 -0.11336 0.12355 -0.17819 -0.21108 -0.16593
|
|
237 15G-4 0.14133 -0.24822 -0.06508 0.01110 0.20594
|
|
238 4 H 1S 0.05772 0.00809 0.01346 0.00453 0.09210
|
|
239 2S -0.02713 -0.25714 -0.04335 0.13731 -0.44525
|
|
240 3S -0.55947 0.45227 -0.05594 -0.25366 0.01774
|
|
241 4S 0.39182 0.09303 0.09056 -0.00865 -0.03366
|
|
242 5S -0.03269 0.02505 -0.00346 -0.00985 0.00791
|
|
243 6PX 0.03483 -0.09466 0.27885 -0.22698 0.06089
|
|
244 6PY -0.32992 -0.41198 -0.08695 0.20205 -0.34175
|
|
245 6PZ -0.17821 -0.21978 0.37031 -0.32853 -0.11051
|
|
246 7PX 0.00579 0.05115 -0.48870 0.46226 -0.30849
|
|
247 7PY 0.54820 0.67634 0.14510 -0.33890 0.57117
|
|
248 7PZ 0.27928 0.44469 -0.62121 0.51229 0.32657
|
|
249 8PX -0.19302 0.50066 -0.87338 0.55522 0.15369
|
|
250 8PY 2.33954 1.62291 0.34216 -0.67052 0.97315
|
|
251 8PZ 1.09913 0.64265 -1.16621 1.03530 0.03317
|
|
252 9PX 0.09917 0.07455 -0.06869 0.02736 0.00177
|
|
253 9PY 0.57000 0.23565 0.07866 -0.07041 0.09414
|
|
254 9PZ 0.15254 0.03501 -0.14495 0.09401 0.01100
|
|
255 10D 0 0.03549 0.03502 -0.04479 0.04008 -0.00289
|
|
256 10D+1 -0.03011 0.02041 0.02773 -0.04215 0.08829
|
|
257 10D-1 0.04894 0.03126 0.01252 -0.03039 0.03118
|
|
258 10D+2 0.04799 -0.03305 0.02768 0.00143 -0.08377
|
|
259 10D-2 -0.04266 -0.06823 -0.00344 0.02087 -0.04566
|
|
260 11D 0 -0.66311 -0.83301 1.25063 -1.01836 -0.22675
|
|
261 11D+1 0.61900 0.45544 -0.54530 0.48371 0.20973
|
|
262 11D-1 -0.84527 -0.70359 -0.41274 0.60883 -0.63768
|
|
263 11D+2 -0.36387 0.00901 -0.85278 0.75487 -0.18105
|
|
264 11D-2 1.38572 1.35100 0.10054 -0.44619 1.00029
|
|
265 12D 0 -0.42241 -0.26616 0.33441 -0.23606 -0.07167
|
|
266 12D+1 0.33071 0.10231 -0.16404 0.14780 -0.06838
|
|
267 12D-1 -0.45259 -0.27037 -0.14634 0.16547 -0.15407
|
|
268 12D+2 -0.25827 -0.00732 -0.24434 0.17471 -0.02036
|
|
269 12D-2 0.81866 0.45785 0.04287 -0.15755 0.26426
|
|
270 13F 0 0.03237 0.13391 -0.19196 0.13833 0.03597
|
|
271 13F+1 -0.25993 -0.41003 0.61985 -0.51583 -0.16950
|
|
272 13F-1 0.00695 -0.00886 0.16428 -0.17095 0.05542
|
|
273 13F+2 0.21926 0.19563 0.03357 -0.06420 0.21303
|
|
274 13F-2 -0.37667 -0.41058 -0.17337 0.28530 -0.37036
|
|
275 13F+3 -0.15894 -0.11956 -0.31695 0.33139 -0.19804
|
|
276 13F-3 0.36534 0.45442 -0.03388 -0.08971 0.36781
|
|
277 14F 0 0.11195 0.13090 -0.14360 0.10149 0.05467
|
|
278 14F+1 -0.35215 -0.34046 0.51226 -0.40804 -0.09046
|
|
279 14F-1 0.02527 -0.00818 0.14054 -0.13101 0.01852
|
|
280 14F+2 0.30164 0.15452 0.02513 -0.03923 0.06982
|
|
281 14F-2 -0.46412 -0.37821 -0.15365 0.25274 -0.32491
|
|
282 14F+3 -0.25133 -0.08740 -0.25517 0.25021 -0.11111
|
|
283 14F-3 0.43563 0.40202 -0.03143 -0.09258 0.28277
|
|
284 15G 0 0.06899 0.09890 -0.17711 0.15810 0.03516
|
|
285 15G+1 0.06941 0.21669 -0.35039 0.28037 0.08114
|
|
286 15G-1 0.07741 0.10495 -0.05490 0.02710 0.06626
|
|
287 15G+2 -0.14759 -0.23976 0.28179 -0.22356 -0.13239
|
|
288 15G-2 0.06047 0.05396 0.19281 -0.21348 0.09949
|
|
289 15G+3 0.16486 0.17173 0.12131 -0.15577 0.19787
|
|
290 15G-3 -0.20543 -0.31134 -0.07329 0.16635 -0.28840
|
|
291 15G+4 -0.11336 -0.12355 -0.17819 0.21108 -0.16593
|
|
292 15G-4 0.14133 0.24822 -0.06508 -0.01110 0.20594
|
|
286 287 288 289 290
|
|
V V V V V
|
|
Eigenvalues -- 24.44819 25.19574 25.41513 25.87064 25.92524
|
|
1 1 O 1S 0.00680 0.03785 -0.05068 -0.06282 0.05295
|
|
2 2S -0.17203 0.06574 0.03143 0.19487 -0.16978
|
|
3 3S -1.44590 0.83122 -0.07589 1.32776 -1.13704
|
|
4 4S 4.97154 -4.79395 2.93242 -0.37979 -0.27412
|
|
5 5S -4.41027 5.30649 -4.12204 -6.92350 8.76159
|
|
6 6S -2.79769 2.70242 -1.59494 -2.08069 3.68749
|
|
7 7PX -0.26435 0.62244 -0.56164 -0.00789 -0.08926
|
|
8 7PY 0.39709 0.11773 -0.34546 -0.01709 -0.14013
|
|
9 7PZ -0.15764 0.42160 -0.37510 0.01011 -0.05140
|
|
10 8PX 0.64000 -2.20579 2.21445 0.94270 -0.55728
|
|
11 8PY -1.23105 -0.43387 1.16285 0.31151 0.25043
|
|
12 8PZ 0.37701 -1.48994 1.48226 0.58790 -0.39687
|
|
13 9PX 0.45360 2.20087 -2.95921 -4.65892 4.16445
|
|
14 9PY 1.68044 0.45703 -1.44449 -1.49856 0.59376
|
|
15 9PZ 0.36359 1.49237 -1.96323 -3.07063 2.79661
|
|
16 10PX 0.29650 3.36295 -3.87288 -2.45721 1.77083
|
|
17 10PY 4.18102 0.58295 -2.65159 -0.17882 -2.59465
|
|
18 10PZ 0.32026 2.33852 -2.71580 -1.69803 1.25274
|
|
19 11PX 0.11230 0.22055 -0.14695 -0.14113 0.18535
|
|
20 11PY 0.46626 -0.02005 -0.01317 -0.02356 -0.22793
|
|
21 11PZ 0.04422 0.19901 -0.06634 -0.11832 0.11625
|
|
22 12D 0 0.47883 -0.05821 -0.15848 0.02763 -0.08049
|
|
23 12D+1 -0.41218 0.45923 -0.24250 0.62636 -0.64477
|
|
24 12D-1 -0.32018 0.12004 -0.06133 0.11922 -0.15476
|
|
25 12D+2 0.54849 0.28834 -0.46612 0.54746 -0.67312
|
|
26 12D-2 -0.30838 0.23141 -0.07564 0.22259 -0.18605
|
|
27 13D 0 -0.82769 0.12389 0.27713 -0.04490 0.18777
|
|
28 13D+1 0.72694 -1.28907 0.99900 -0.65872 0.79329
|
|
29 13D-1 0.49707 -0.29904 0.22663 -0.11429 0.19582
|
|
30 13D+2 -0.91844 -0.86707 1.27446 -0.60446 0.97799
|
|
31 13D-2 0.49706 -0.52683 0.30886 -0.26359 0.20458
|
|
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264 11D-2 0.38646 0.02796 -0.08546 0.47037 0.38413
|
|
265 12D 0 -0.08218 -0.02266 -0.04039 -0.09809 -0.02814
|
|
266 12D+1 -0.34922 -0.63797 -0.61227 -0.53279 -0.66699
|
|
267 12D-1 -0.33332 -0.10537 -0.10650 -0.11376 -0.12329
|
|
268 12D+2 0.12912 0.45122 0.41473 0.31703 0.44725
|
|
269 12D-2 0.49232 0.12019 0.15590 0.17412 0.16887
|
|
270 13F 0 0.09617 0.02223 -0.05151 0.26325 0.25231
|
|
271 13F+1 0.05211 0.01970 -0.01147 0.16176 0.16257
|
|
272 13F-1 0.00155 -0.00842 0.00082 0.04899 0.03634
|
|
273 13F+2 -0.14801 -0.06189 0.06079 -0.44081 -0.43576
|
|
274 13F-2 -0.04906 0.01282 0.04370 -0.23009 -0.19693
|
|
275 13F+3 0.08411 0.04444 -0.02674 0.25681 0.24318
|
|
276 13F-3 0.03874 -0.01128 -0.03944 0.21912 0.17899
|
|
277 14F 0 0.14742 0.29176 0.27693 0.13220 0.16239
|
|
278 14F+1 0.06175 0.18970 0.16593 0.04724 0.11419
|
|
279 14F-1 0.03202 0.04559 0.01801 -0.00690 0.02151
|
|
280 14F+2 -0.17978 -0.49462 -0.42453 -0.17256 -0.27343
|
|
281 14F-2 -0.21409 -0.18076 -0.18552 -0.11804 -0.10507
|
|
282 14F+3 0.05065 0.28190 0.21864 0.07777 0.15106
|
|
283 14F-3 0.19208 0.16336 0.15315 0.07397 0.08557
|
|
284 15G 0 -0.07069 -0.13128 -0.10009 -0.08135 -0.10191
|
|
285 15G+1 0.06480 0.10923 0.09222 0.08146 0.08920
|
|
286 15G-1 0.01647 0.01992 0.02425 0.02791 0.02020
|
|
287 15G+2 0.08205 0.14629 0.11555 0.09165 0.11413
|
|
288 15G-2 0.01704 0.05945 0.05007 0.05150 0.05778
|
|
289 15G+3 -0.12972 -0.21241 -0.13955 -0.11954 -0.15255
|
|
290 15G-3 -0.05651 -0.12814 -0.11179 -0.12338 -0.12417
|
|
291 15G+4 0.06514 0.09823 0.06357 0.05737 0.06729
|
|
292 15G-4 0.03206 0.08592 0.07412 0.08083 0.08277
|
|
291 292
|
|
V V
|
|
Eigenvalues -- 63.96857 64.73139
|
|
1 1 O 1S 1.88959 -1.90512
|
|
2 2S 3.56447 -3.62830
|
|
3 3S 4.28477 -4.56097
|
|
4 4S -3.80712 4.92244
|
|
5 5S -3.46176 1.25469
|
|
6 6S -1.10788 -1.56803
|
|
7 7PX -0.01935 0.01587
|
|
8 7PY -0.00665 0.04955
|
|
9 7PZ -0.01056 0.01116
|
|
10 8PX 0.38581 -0.36900
|
|
11 8PY 0.04624 -0.26393
|
|
12 8PZ 0.24906 -0.25216
|
|
13 9PX -2.87407 2.69411
|
|
14 9PY -0.42530 0.61214
|
|
15 9PZ -1.91444 1.82762
|
|
16 10PX -0.93013 1.19872
|
|
17 10PY -0.23314 3.66067
|
|
18 10PZ -0.61097 0.73458
|
|
19 11PX -0.10761 0.11948
|
|
20 11PY 0.03500 0.44850
|
|
21 11PZ -0.09032 0.06245
|
|
22 12D 0 -0.02199 0.03511
|
|
23 12D+1 0.07594 -0.06991
|
|
24 12D-1 0.01729 -0.01587
|
|
25 12D+2 0.02575 0.00202
|
|
26 12D-2 0.03146 -0.02730
|
|
27 13D 0 0.04089 -0.10693
|
|
28 13D+1 -0.12829 0.10868
|
|
29 13D-1 -0.02702 0.02616
|
|
30 13D+2 -0.04046 -0.09509
|
|
31 13D-2 -0.06003 0.04265
|
|
32 14D 0 0.07947 0.15917
|
|
33 14D+1 -1.12744 1.11627
|
|
34 14D-1 -0.26372 0.23099
|
|
35 14D+2 -0.75506 1.21257
|
|
36 14D-2 -0.33670 0.36546
|
|
37 15D 0 -0.06025 0.68703
|
|
38 15D+1 -0.04158 0.19378
|
|
39 15D-1 0.07212 0.08957
|
|
40 15D+2 -0.13150 1.31949
|
|
41 15D-2 0.13904 0.06182
|
|
42 16F 0 -0.03352 0.03375
|
|
43 16F+1 0.02038 -0.02038
|
|
44 16F-1 0.01133 0.00479
|
|
45 16F+2 0.05740 -0.04906
|
|
46 16F-2 0.02653 -0.02089
|
|
47 16F+3 0.02677 -0.03251
|
|
48 16F-3 0.03282 -0.00700
|
|
49 17F 0 0.20966 -0.21274
|
|
50 17F+1 -0.13059 0.12727
|
|
51 17F-1 -0.06935 0.01032
|
|
52 17F+2 -0.35365 0.33039
|
|
53 17F-2 -0.16670 0.14932
|
|
54 17F+3 -0.18258 0.19780
|
|
55 17F-3 -0.20265 0.10885
|
|
56 18F 0 0.01753 -0.03482
|
|
57 18F+1 0.00208 0.00839
|
|
58 18F-1 0.08839 -0.29779
|
|
59 18F+2 -0.00176 0.06496
|
|
60 18F-2 0.01848 0.04239
|
|
61 18F+3 0.05582 0.01019
|
|
62 18F-3 0.12405 -0.32497
|
|
63 19G 0 0.01254 -0.02195
|
|
64 19G+1 0.02407 -0.02368
|
|
65 19G-1 0.00916 -0.00309
|
|
66 19G+2 -0.05162 0.03653
|
|
67 19G-2 -0.01527 0.01154
|
|
68 19G+3 -0.03962 0.04357
|
|
69 19G-3 -0.03686 0.02599
|
|
70 19G+4 -0.04667 0.02406
|
|
71 19G-4 -0.01999 0.01637
|
|
72 20G 0 0.06341 -0.07749
|
|
73 20G+1 0.03219 -0.03987
|
|
74 20G-1 0.00274 -0.01239
|
|
75 20G+2 0.00508 -0.01841
|
|
76 20G-2 -0.01584 0.02429
|
|
77 20G+3 -0.04287 0.04760
|
|
78 20G-3 -0.02464 0.06237
|
|
79 20G+4 0.04263 -0.04522
|
|
80 20G-4 -0.03540 0.03937
|
|
81 21H 0 -0.00122 -0.00067
|
|
82 21H+1 0.03374 -0.03438
|
|
83 21H-1 -0.00237 -0.00339
|
|
84 21H+2 0.00463 -0.00558
|
|
85 21H-2 0.00456 -0.00360
|
|
86 21H+3 -0.02578 0.02573
|
|
87 21H-3 -0.02981 0.02821
|
|
88 21H+4 -0.01548 0.02937
|
|
89 21H-4 -0.02705 0.03364
|
|
90 21H+5 -0.00860 0.00732
|
|
91 21H-5 -0.02774 0.02398
|
|
92 2 O 1S 1.88959 1.90512
|
|
93 2S 3.56447 3.62830
|
|
94 3S 4.28477 4.56097
|
|
95 4S -3.80712 -4.92244
|
|
96 5S -3.46176 -1.25469
|
|
97 6S -1.10788 1.56803
|
|
98 7PX 0.01935 0.01587
|
|
99 7PY 0.00665 0.04955
|
|
100 7PZ -0.01056 -0.01116
|
|
101 8PX -0.38581 -0.36900
|
|
102 8PY -0.04624 -0.26393
|
|
103 8PZ 0.24906 0.25216
|
|
104 9PX 2.87407 2.69411
|
|
105 9PY 0.42530 0.61214
|
|
106 9PZ -1.91444 -1.82762
|
|
107 10PX 0.93013 1.19872
|
|
108 10PY 0.23314 3.66067
|
|
109 10PZ -0.61097 -0.73458
|
|
110 11PX 0.10761 0.11948
|
|
111 11PY -0.03500 0.44850
|
|
112 11PZ -0.09032 -0.06245
|
|
113 12D 0 -0.02199 -0.03511
|
|
114 12D+1 -0.07594 -0.06991
|
|
115 12D-1 -0.01729 -0.01587
|
|
116 12D+2 0.02575 -0.00202
|
|
117 12D-2 0.03146 0.02730
|
|
118 13D 0 0.04089 0.10693
|
|
119 13D+1 0.12829 0.10868
|
|
120 13D-1 0.02702 0.02616
|
|
121 13D+2 -0.04046 0.09509
|
|
122 13D-2 -0.06003 -0.04265
|
|
123 14D 0 0.07947 -0.15917
|
|
124 14D+1 1.12744 1.11627
|
|
125 14D-1 0.26372 0.23099
|
|
126 14D+2 -0.75506 -1.21257
|
|
127 14D-2 -0.33670 -0.36546
|
|
128 15D 0 -0.06025 -0.68703
|
|
129 15D+1 0.04158 0.19378
|
|
130 15D-1 -0.07212 0.08957
|
|
131 15D+2 -0.13150 -1.31949
|
|
132 15D-2 0.13904 -0.06182
|
|
133 16F 0 -0.03352 -0.03375
|
|
134 16F+1 -0.02038 -0.02038
|
|
135 16F-1 -0.01133 0.00479
|
|
136 16F+2 0.05740 0.04906
|
|
137 16F-2 0.02653 0.02089
|
|
138 16F+3 -0.02677 -0.03251
|
|
139 16F-3 -0.03282 -0.00700
|
|
140 17F 0 0.20966 0.21274
|
|
141 17F+1 0.13059 0.12727
|
|
142 17F-1 0.06935 0.01032
|
|
143 17F+2 -0.35365 -0.33039
|
|
144 17F-2 -0.16670 -0.14932
|
|
145 17F+3 0.18258 0.19780
|
|
146 17F-3 0.20265 0.10885
|
|
147 18F 0 0.01753 0.03482
|
|
148 18F+1 -0.00208 0.00839
|
|
149 18F-1 -0.08839 -0.29779
|
|
150 18F+2 -0.00176 -0.06496
|
|
151 18F-2 0.01848 -0.04239
|
|
152 18F+3 -0.05582 0.01019
|
|
153 18F-3 -0.12405 -0.32497
|
|
154 19G 0 0.01254 0.02195
|
|
155 19G+1 -0.02407 -0.02368
|
|
156 19G-1 -0.00916 -0.00309
|
|
157 19G+2 -0.05162 -0.03653
|
|
158 19G-2 -0.01527 -0.01154
|
|
159 19G+3 0.03962 0.04357
|
|
160 19G-3 0.03686 0.02599
|
|
161 19G+4 -0.04667 -0.02406
|
|
162 19G-4 -0.01999 -0.01637
|
|
163 20G 0 0.06341 0.07749
|
|
164 20G+1 -0.03219 -0.03987
|
|
165 20G-1 -0.00274 -0.01239
|
|
166 20G+2 0.00508 0.01841
|
|
167 20G-2 -0.01584 -0.02429
|
|
168 20G+3 0.04287 0.04760
|
|
169 20G-3 0.02464 0.06237
|
|
170 20G+4 0.04263 0.04522
|
|
171 20G-4 -0.03540 -0.03937
|
|
172 21H 0 -0.00122 0.00067
|
|
173 21H+1 -0.03374 -0.03438
|
|
174 21H-1 0.00237 -0.00339
|
|
175 21H+2 0.00463 0.00558
|
|
176 21H-2 0.00456 0.00360
|
|
177 21H+3 0.02578 0.02573
|
|
178 21H-3 0.02981 0.02821
|
|
179 21H+4 -0.01548 -0.02937
|
|
180 21H-4 -0.02705 -0.03364
|
|
181 21H+5 0.00860 0.00732
|
|
182 21H-5 0.02774 0.02398
|
|
183 3 H 1S -0.20909 0.20970
|
|
184 2S -0.19214 0.07243
|
|
185 3S 4.67124 -4.88933
|
|
186 4S 1.07616 -1.10918
|
|
187 5S 0.05002 -0.12327
|
|
188 6PX 0.12876 -0.12995
|
|
189 6PY 0.02272 -0.02887
|
|
190 6PZ 0.08795 -0.08614
|
|
191 7PX -0.29555 0.34504
|
|
192 7PY -0.04004 0.08357
|
|
193 7PZ -0.20408 0.22835
|
|
194 8PX -2.86124 2.72963
|
|
195 8PY -0.72137 0.54360
|
|
196 8PZ -1.89345 1.85199
|
|
197 9PX -0.86976 0.94077
|
|
198 9PY -0.31578 0.27389
|
|
199 9PZ -0.55031 0.62736
|
|
200 10D 0 0.00447 0.00616
|
|
201 10D+1 -0.03300 0.01350
|
|
202 10D-1 -0.00989 0.00220
|
|
203 10D+2 -0.02187 0.01769
|
|
204 10D-2 -0.01196 0.00223
|
|
205 11D 0 -0.07224 0.03037
|
|
206 11D+1 0.91273 -0.86512
|
|
207 11D-1 0.19734 -0.17912
|
|
208 11D+2 0.63691 -0.63514
|
|
209 11D-2 0.28519 -0.26537
|
|
210 12D 0 -0.09503 0.07443
|
|
211 12D+1 0.88302 -0.80639
|
|
212 12D-1 0.21688 -0.20706
|
|
213 12D+2 0.60193 -0.52918
|
|
214 12D-2 0.37221 -0.30278
|
|
215 13F 0 0.06790 -0.06220
|
|
216 13F+1 -0.04050 0.04465
|
|
217 13F-1 -0.00483 0.01668
|
|
218 13F+2 -0.10410 0.11891
|
|
219 13F-2 -0.04603 0.04285
|
|
220 13F+3 -0.06123 0.06856
|
|
221 13F-3 -0.03351 0.04923
|
|
222 14F 0 0.23483 -0.21359
|
|
223 14F+1 -0.12359 0.12087
|
|
224 14F-1 -0.02300 0.01819
|
|
225 14F+2 -0.36860 0.31249
|
|
226 14F-2 -0.16419 0.17159
|
|
227 14F+3 -0.17468 0.15882
|
|
228 14F-3 -0.16171 0.13539
|
|
229 15G 0 -0.02701 0.02560
|
|
230 15G+1 -0.02564 0.02333
|
|
231 15G-1 -0.00794 0.00378
|
|
232 15G+2 0.02863 -0.02793
|
|
233 15G-2 0.00851 -0.01514
|
|
234 15G+3 0.04039 -0.03503
|
|
235 15G-3 0.02687 -0.02988
|
|
236 15G+4 0.01476 -0.01511
|
|
237 15G-4 0.01447 -0.02188
|
|
238 4 H 1S -0.20909 -0.20970
|
|
239 2S -0.19214 -0.07243
|
|
240 3S 4.67124 4.88933
|
|
241 4S 1.07616 1.10918
|
|
242 5S 0.05002 0.12327
|
|
243 6PX -0.12876 -0.12995
|
|
244 6PY -0.02272 -0.02887
|
|
245 6PZ 0.08795 0.08614
|
|
246 7PX 0.29555 0.34504
|
|
247 7PY 0.04004 0.08357
|
|
248 7PZ -0.20408 -0.22835
|
|
249 8PX 2.86124 2.72963
|
|
250 8PY 0.72137 0.54360
|
|
251 8PZ -1.89345 -1.85199
|
|
252 9PX 0.86976 0.94077
|
|
253 9PY 0.31578 0.27389
|
|
254 9PZ -0.55031 -0.62736
|
|
255 10D 0 0.00447 -0.00616
|
|
256 10D+1 0.03300 0.01350
|
|
257 10D-1 0.00989 0.00220
|
|
258 10D+2 -0.02187 -0.01769
|
|
259 10D-2 -0.01196 -0.00223
|
|
260 11D 0 -0.07224 -0.03037
|
|
261 11D+1 -0.91273 -0.86512
|
|
262 11D-1 -0.19734 -0.17912
|
|
263 11D+2 0.63691 0.63514
|
|
264 11D-2 0.28519 0.26537
|
|
265 12D 0 -0.09503 -0.07443
|
|
266 12D+1 -0.88302 -0.80639
|
|
267 12D-1 -0.21688 -0.20706
|
|
268 12D+2 0.60193 0.52918
|
|
269 12D-2 0.37221 0.30278
|
|
270 13F 0 0.06790 0.06220
|
|
271 13F+1 0.04050 0.04465
|
|
272 13F-1 0.00483 0.01668
|
|
273 13F+2 -0.10410 -0.11891
|
|
274 13F-2 -0.04603 -0.04285
|
|
275 13F+3 0.06123 0.06856
|
|
276 13F-3 0.03351 0.04923
|
|
277 14F 0 0.23483 0.21359
|
|
278 14F+1 0.12359 0.12087
|
|
279 14F-1 0.02300 0.01819
|
|
280 14F+2 -0.36860 -0.31249
|
|
281 14F-2 -0.16419 -0.17159
|
|
282 14F+3 0.17468 0.15882
|
|
283 14F-3 0.16171 0.13539
|
|
284 15G 0 -0.02701 -0.02560
|
|
285 15G+1 0.02564 0.02333
|
|
286 15G-1 0.00794 0.00378
|
|
287 15G+2 0.02863 0.02793
|
|
288 15G-2 0.00851 0.01514
|
|
289 15G+3 -0.04039 -0.03503
|
|
290 15G-3 -0.02687 -0.02988
|
|
291 15G+4 0.01476 0.01511
|
|
292 15G-4 0.01447 0.02188
|
|
Alpha Density Matrix:
|
|
1 2 3 4 5
|
|
1 1 O 1S 0.34193
|
|
2 2S -0.27054 0.22868
|
|
3 3S 0.03539 -0.02530 0.00417
|
|
4 4S -0.04464 0.07773 0.00323 0.12894
|
|
5 5S -0.06109 0.10846 0.00483 0.18249 0.25932
|
|
6 6S -0.02574 0.04594 0.00230 0.07815 0.11255
|
|
7 7PX 0.00233 -0.00368 -0.00028 -0.00599 -0.00986
|
|
8 7PY -0.00280 0.00434 0.00023 0.00708 0.00899
|
|
9 7PZ 0.00177 -0.00279 -0.00021 -0.00451 -0.00867
|
|
10 8PX 0.00284 -0.00549 -0.00061 -0.01040 -0.01707
|
|
11 8PY -0.00331 0.00627 0.00056 0.01197 0.01521
|
|
12 8PZ 0.00215 -0.00415 -0.00046 -0.00780 -0.01499
|
|
13 9PX 0.00407 -0.00728 -0.00079 -0.01325 -0.02227
|
|
14 9PY -0.00472 0.00846 0.00074 0.01584 0.01969
|
|
15 9PZ 0.00313 -0.00562 -0.00060 -0.01014 -0.02008
|
|
16 10PX 0.00455 -0.00780 -0.00070 -0.01364 -0.02172
|
|
17 10PY -0.00566 0.00997 0.00076 0.01803 0.02325
|
|
18 10PZ 0.00306 -0.00529 -0.00051 -0.00929 -0.01818
|
|
19 11PX 0.00259 -0.00464 -0.00037 -0.00828 -0.01165
|
|
20 11PY -0.00244 0.00439 0.00035 0.00796 0.01092
|
|
21 11PZ 0.00193 -0.00348 -0.00029 -0.00618 -0.01087
|
|
22 12D 0 -0.00012 0.00012 -0.00001 0.00010 0.00014
|
|
23 12D+1 0.00008 -0.00007 0.00000 -0.00004 -0.00008
|
|
24 12D-1 0.00001 0.00000 0.00000 0.00002 0.00002
|
|
25 12D+2 -0.00014 0.00016 -0.00001 0.00016 0.00020
|
|
26 12D-2 0.00002 0.00000 0.00000 0.00003 0.00005
|
|
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|
278 14F+1 0.00000 0.00000 0.00000
|
|
279 14F-1 0.00000 0.00000 0.00000 0.00000
|
|
280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 282 283 284 285
|
|
281 14F-2 0.00000
|
|
282 14F+3 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 287 288 289 290
|
|
286 15G-1 0.00000
|
|
287 15G+2 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 292
|
|
291 15G+4 0.00000
|
|
292 15G-4 0.00000 0.00000
|
|
Beta Density Matrix:
|
|
1 2 3 4 5
|
|
1 1 O 1S 0.34193
|
|
2 2S -0.27054 0.22868
|
|
3 3S 0.03539 -0.02530 0.00417
|
|
4 4S -0.04464 0.07773 0.00323 0.12894
|
|
5 5S -0.06109 0.10846 0.00483 0.18249 0.25932
|
|
6 6S -0.02574 0.04594 0.00230 0.07815 0.11255
|
|
7 7PX 0.00233 -0.00368 -0.00028 -0.00599 -0.00986
|
|
8 7PY -0.00280 0.00434 0.00023 0.00708 0.00899
|
|
9 7PZ 0.00177 -0.00279 -0.00021 -0.00451 -0.00867
|
|
10 8PX 0.00284 -0.00549 -0.00061 -0.01040 -0.01707
|
|
11 8PY -0.00331 0.00627 0.00056 0.01197 0.01521
|
|
12 8PZ 0.00215 -0.00415 -0.00046 -0.00780 -0.01499
|
|
13 9PX 0.00407 -0.00728 -0.00079 -0.01325 -0.02227
|
|
14 9PY -0.00472 0.00846 0.00074 0.01584 0.01969
|
|
15 9PZ 0.00313 -0.00562 -0.00060 -0.01014 -0.02008
|
|
16 10PX 0.00455 -0.00780 -0.00070 -0.01364 -0.02172
|
|
17 10PY -0.00566 0.00997 0.00076 0.01803 0.02325
|
|
18 10PZ 0.00306 -0.00529 -0.00051 -0.00929 -0.01818
|
|
19 11PX 0.00259 -0.00464 -0.00037 -0.00828 -0.01165
|
|
20 11PY -0.00244 0.00439 0.00035 0.00796 0.01092
|
|
21 11PZ 0.00193 -0.00348 -0.00029 -0.00618 -0.01087
|
|
22 12D 0 -0.00012 0.00012 -0.00001 0.00010 0.00014
|
|
23 12D+1 0.00008 -0.00007 0.00000 -0.00004 -0.00008
|
|
24 12D-1 0.00001 0.00000 0.00000 0.00002 0.00002
|
|
25 12D+2 -0.00014 0.00016 -0.00001 0.00016 0.00020
|
|
26 12D-2 0.00002 0.00000 0.00000 0.00003 0.00005
|
|
27 13D 0 0.00014 -0.00009 0.00002 0.00007 0.00005
|
|
28 13D+1 -0.00016 0.00015 -0.00002 0.00006 -0.00004
|
|
29 13D-1 -0.00007 0.00011 0.00000 0.00016 0.00021
|
|
30 13D+2 0.00008 0.00001 0.00002 0.00024 0.00023
|
|
31 13D-2 -0.00012 0.00017 0.00000 0.00024 0.00034
|
|
32 14D 0 0.00009 -0.00020 0.00000 -0.00031 -0.00056
|
|
33 14D+1 -0.00031 0.00069 0.00002 0.00130 0.00148
|
|
34 14D-1 -0.00024 0.00042 0.00002 0.00072 0.00092
|
|
35 14D+2 -0.00015 0.00033 0.00003 0.00070 0.00061
|
|
36 14D-2 -0.00040 0.00070 0.00004 0.00120 0.00173
|
|
37 15D 0 -0.00025 0.00038 0.00002 0.00061 0.00075
|
|
38 15D+1 0.00019 -0.00014 0.00000 -0.00005 -0.00029
|
|
39 15D-1 -0.00012 0.00026 0.00003 0.00054 0.00070
|
|
40 15D+2 -0.00064 0.00118 0.00007 0.00212 0.00287
|
|
41 15D-2 -0.00044 0.00084 0.00006 0.00151 0.00214
|
|
42 16F 0 0.00000 0.00001 0.00000 0.00001 0.00003
|
|
43 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 16F-1 0.00000 -0.00001 0.00000 -0.00002 -0.00002
|
|
45 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
47 16F+3 -0.00001 0.00001 0.00000 0.00001 0.00002
|
|
48 16F-3 0.00000 -0.00001 0.00000 -0.00002 -0.00003
|
|
49 17F 0 0.00003 -0.00007 0.00000 -0.00013 -0.00014
|
|
50 17F+1 -0.00002 0.00006 0.00000 0.00011 0.00013
|
|
51 17F-1 -0.00001 0.00004 0.00000 0.00007 0.00011
|
|
52 17F+2 -0.00007 0.00016 0.00001 0.00030 0.00038
|
|
53 17F-2 -0.00006 0.00011 0.00000 0.00019 0.00024
|
|
54 17F+3 -0.00004 0.00010 0.00001 0.00019 0.00029
|
|
55 17F-3 -0.00007 0.00014 0.00000 0.00023 0.00033
|
|
56 18F 0 0.00007 -0.00016 -0.00001 -0.00031 -0.00038
|
|
57 18F+1 -0.00005 0.00013 0.00001 0.00026 0.00036
|
|
58 18F-1 -0.00006 0.00015 0.00001 0.00029 0.00042
|
|
59 18F+2 -0.00010 0.00028 0.00002 0.00058 0.00078
|
|
60 18F-2 -0.00017 0.00032 0.00002 0.00057 0.00076
|
|
61 18F+3 -0.00011 0.00027 0.00002 0.00053 0.00079
|
|
62 18F-3 -0.00008 0.00022 0.00001 0.00043 0.00058
|
|
63 19G 0 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
64 19G+1 0.00000 -0.00001 0.00000 -0.00001 -0.00001
|
|
65 19G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 19G+2 -0.00001 0.00001 0.00000 0.00001 0.00002
|
|
67 19G-2 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
69 19G-3 0.00000 0.00001 0.00000 0.00002 0.00002
|
|
70 19G+4 -0.00001 0.00001 0.00000 0.00001 0.00002
|
|
71 19G-4 0.00000 0.00001 0.00000 0.00001 0.00002
|
|
72 20G 0 0.00001 -0.00002 0.00000 -0.00004 -0.00004
|
|
73 20G+1 0.00001 -0.00003 0.00000 -0.00006 -0.00008
|
|
74 20G-1 0.00001 -0.00001 0.00000 -0.00002 -0.00002
|
|
75 20G+2 -0.00002 0.00007 0.00001 0.00015 0.00021
|
|
76 20G-2 -0.00001 0.00003 0.00000 0.00005 0.00005
|
|
77 20G+3 -0.00002 0.00007 0.00001 0.00016 0.00022
|
|
78 20G-3 -0.00003 0.00006 0.00000 0.00011 0.00013
|
|
79 20G+4 0.00000 0.00004 0.00001 0.00011 0.00016
|
|
80 20G-4 -0.00002 0.00003 0.00000 0.00005 0.00005
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00000 -0.00001 0.00000 -0.00002 -0.00003
|
|
83 21H-1 0.00000 -0.00001 0.00000 -0.00001 -0.00002
|
|
84 21H+2 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
85 21H-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
86 21H+3 0.00000 0.00000 0.00000 0.00001 0.00002
|
|
87 21H-3 -0.00001 0.00001 0.00000 0.00001 0.00001
|
|
88 21H+4 0.00000 0.00000 0.00000 0.00001 0.00002
|
|
89 21H-4 -0.00001 0.00001 0.00000 0.00002 0.00003
|
|
90 21H+5 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
91 21H-5 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 2 O 1S -0.00046 0.00092 0.00006 0.00213 0.00374
|
|
93 2S 0.00092 -0.00185 -0.00016 -0.00390 -0.00742
|
|
94 3S 0.00006 -0.00016 -0.00002 -0.00032 -0.00067
|
|
95 4S 0.00213 -0.00390 -0.00032 -0.00725 -0.01434
|
|
96 5S 0.00374 -0.00742 -0.00067 -0.01434 -0.02652
|
|
97 6S 0.00488 -0.00904 -0.00049 -0.01573 -0.02682
|
|
98 7PX -0.00021 0.00038 0.00004 0.00080 -0.00041
|
|
99 7PY -0.00147 0.00243 -0.00003 0.00337 0.00626
|
|
100 7PZ -0.00023 0.00042 0.00003 0.00073 0.00234
|
|
101 8PX -0.00033 0.00061 0.00006 0.00131 -0.00080
|
|
102 8PY -0.00224 0.00373 -0.00006 0.00511 0.00979
|
|
103 8PZ -0.00044 0.00081 0.00005 0.00140 0.00427
|
|
104 9PX -0.00081 0.00150 0.00013 0.00300 0.00040
|
|
105 9PY -0.00416 0.00691 -0.00007 0.00970 0.01757
|
|
106 9PZ -0.00035 0.00065 0.00004 0.00110 0.00481
|
|
107 10PX -0.00133 0.00236 0.00019 0.00442 0.00317
|
|
108 10PY -0.00257 0.00370 -0.00022 0.00398 0.00939
|
|
109 10PZ -0.00021 0.00045 0.00004 0.00084 0.00417
|
|
110 11PX -0.00111 0.00203 0.00020 0.00385 0.00445
|
|
111 11PY 0.00046 -0.00096 -0.00014 -0.00216 -0.00138
|
|
112 11PZ -0.00055 0.00099 0.00006 0.00168 0.00413
|
|
113 12D 0 0.00003 -0.00005 0.00000 -0.00008 -0.00013
|
|
114 12D+1 0.00000 0.00001 0.00000 0.00001 -0.00001
|
|
115 12D-1 0.00000 -0.00001 0.00000 -0.00001 -0.00002
|
|
116 12D+2 0.00006 -0.00010 0.00000 -0.00016 -0.00023
|
|
117 12D-2 0.00001 -0.00002 0.00000 -0.00003 -0.00006
|
|
118 13D 0 0.00009 -0.00016 -0.00001 -0.00027 -0.00042
|
|
119 13D+1 -0.00001 0.00002 0.00000 0.00005 -0.00002
|
|
120 13D-1 -0.00001 0.00000 0.00000 -0.00001 -0.00002
|
|
121 13D+2 0.00018 -0.00035 -0.00001 -0.00059 -0.00085
|
|
122 13D-2 0.00006 -0.00011 -0.00001 -0.00018 -0.00029
|
|
123 14D 0 0.00055 -0.00090 -0.00002 -0.00136 -0.00204
|
|
124 14D+1 -0.00022 0.00040 0.00002 0.00069 0.00081
|
|
125 14D-1 0.00004 -0.00007 -0.00002 -0.00015 -0.00027
|
|
126 14D+2 0.00115 -0.00191 -0.00005 -0.00298 -0.00433
|
|
127 14D-2 0.00021 -0.00038 -0.00002 -0.00065 -0.00112
|
|
128 15D 0 0.00050 -0.00076 -0.00001 -0.00108 -0.00165
|
|
129 15D+1 -0.00029 0.00049 0.00002 0.00081 0.00099
|
|
130 15D-1 0.00005 -0.00012 -0.00002 -0.00029 -0.00037
|
|
131 15D+2 0.00112 -0.00175 -0.00003 -0.00259 -0.00392
|
|
132 15D-2 0.00007 -0.00009 0.00000 -0.00008 -0.00029
|
|
133 16F 0 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
134 16F+1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
135 16F-1 0.00000 -0.00001 0.00000 -0.00001 -0.00002
|
|
136 16F+2 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
137 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 16F+3 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
139 16F-3 0.00000 -0.00001 0.00000 -0.00001 -0.00002
|
|
140 17F 0 -0.00003 0.00005 0.00000 0.00010 0.00013
|
|
141 17F+1 -0.00001 0.00003 0.00000 0.00005 0.00006
|
|
142 17F-1 0.00013 -0.00022 0.00000 -0.00033 -0.00051
|
|
143 17F+2 0.00002 -0.00004 0.00000 -0.00008 -0.00007
|
|
144 17F-2 0.00002 -0.00004 0.00000 -0.00007 -0.00010
|
|
145 17F+3 -0.00004 0.00008 0.00001 0.00015 0.00024
|
|
146 17F-3 0.00015 -0.00025 0.00000 -0.00037 -0.00057
|
|
147 18F 0 -0.00003 0.00005 0.00000 0.00010 0.00013
|
|
148 18F+1 -0.00006 0.00011 0.00001 0.00018 0.00026
|
|
149 18F-1 0.00027 -0.00041 0.00000 -0.00059 -0.00088
|
|
150 18F+2 0.00009 -0.00014 0.00000 -0.00023 -0.00030
|
|
151 18F-2 -0.00001 0.00002 0.00000 0.00005 0.00004
|
|
152 18F+3 -0.00011 0.00019 0.00001 0.00031 0.00048
|
|
153 18F-3 0.00034 -0.00053 -0.00001 -0.00077 -0.00115
|
|
154 19G 0 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
155 19G+1 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
156 19G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 19G+2 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
158 19G-2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
159 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 19G-3 0.00000 0.00001 0.00000 0.00001 0.00002
|
|
161 19G+4 0.00000 0.00001 0.00000 0.00001 0.00002
|
|
162 19G-4 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
163 20G 0 -0.00006 0.00010 0.00000 0.00015 0.00021
|
|
164 20G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 20G-1 -0.00001 0.00001 0.00000 0.00002 0.00004
|
|
166 20G+2 -0.00006 0.00010 0.00000 0.00014 0.00021
|
|
167 20G-2 -0.00001 0.00002 0.00000 0.00003 0.00006
|
|
168 20G+3 -0.00003 0.00004 0.00000 0.00007 0.00010
|
|
169 20G-3 0.00000 0.00000 0.00000 0.00001 0.00002
|
|
170 20G+4 -0.00008 0.00013 0.00000 0.00019 0.00028
|
|
171 20G-4 -0.00002 0.00003 0.00000 0.00006 0.00010
|
|
172 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 21H+1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
174 21H-1 -0.00001 0.00002 0.00000 0.00002 0.00004
|
|
175 21H+2 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
176 21H-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 21H-3 -0.00001 0.00002 0.00000 0.00003 0.00004
|
|
179 21H+4 0.00000 -0.00001 0.00000 -0.00001 -0.00001
|
|
180 21H-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 21H+5 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
182 21H-5 -0.00001 0.00002 0.00000 0.00003 0.00005
|
|
183 3 H 1S -0.00172 0.00295 0.00005 0.00473 0.00572
|
|
184 2S -0.00382 0.00642 0.00006 0.01009 0.01197
|
|
185 3S -0.00487 0.00706 -0.00022 0.00945 0.00891
|
|
186 4S 0.00145 -0.00313 -0.00040 -0.00612 -0.01262
|
|
187 5S -0.00028 0.00049 0.00003 0.00089 0.00079
|
|
188 6PX 0.00014 -0.00025 -0.00001 -0.00042 -0.00054
|
|
189 6PY 0.00001 -0.00002 0.00000 -0.00003 -0.00003
|
|
190 6PZ 0.00009 -0.00017 -0.00001 -0.00028 -0.00037
|
|
191 7PX 0.00050 -0.00083 -0.00002 -0.00130 -0.00168
|
|
192 7PY 0.00003 -0.00004 0.00001 -0.00001 0.00000
|
|
193 7PZ 0.00035 -0.00058 -0.00001 -0.00091 -0.00124
|
|
194 8PX 0.00119 -0.00168 0.00001 -0.00228 -0.00267
|
|
195 8PY 0.00012 -0.00002 0.00005 0.00028 0.00050
|
|
196 8PZ 0.00079 -0.00112 0.00000 -0.00153 -0.00196
|
|
197 9PX 0.00033 -0.00038 0.00001 -0.00044 0.00002
|
|
198 9PY -0.00010 0.00023 0.00002 0.00046 0.00070
|
|
199 9PZ 0.00024 -0.00028 0.00001 -0.00032 -0.00035
|
|
200 10D 0 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
201 10D+1 -0.00005 0.00008 0.00000 0.00012 0.00015
|
|
202 10D-1 0.00000 0.00001 0.00000 0.00001 0.00001
|
|
203 10D+2 -0.00004 0.00007 0.00000 0.00011 0.00013
|
|
204 10D-2 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
205 11D 0 0.00002 -0.00002 0.00000 -0.00002 0.00000
|
|
206 11D+1 -0.00017 0.00027 0.00000 0.00040 0.00053
|
|
207 11D-1 -0.00004 0.00003 -0.00001 -0.00001 -0.00002
|
|
208 11D+2 -0.00009 0.00015 0.00000 0.00024 0.00030
|
|
209 11D-2 -0.00006 0.00005 -0.00001 -0.00001 -0.00003
|
|
210 12D 0 -0.00002 0.00005 0.00000 0.00008 0.00017
|
|
211 12D+1 -0.00018 0.00027 0.00000 0.00040 0.00046
|
|
212 12D-1 -0.00006 0.00007 0.00000 0.00007 0.00004
|
|
213 12D+2 -0.00020 0.00031 0.00001 0.00048 0.00057
|
|
214 12D-2 -0.00011 0.00014 0.00000 0.00017 0.00018
|
|
215 13F 0 0.00000 0.00000 0.00000 0.00000 -0.00001
|
|
216 13F+1 0.00000 0.00000 0.00000 -0.00001 -0.00001
|
|
217 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
218 13F+2 0.00001 -0.00001 0.00000 -0.00001 -0.00001
|
|
219 13F-2 0.00000 0.00000 0.00000 0.00002 0.00003
|
|
220 13F+3 0.00000 -0.00001 0.00000 -0.00001 -0.00001
|
|
221 13F-3 0.00000 0.00000 0.00000 0.00002 0.00003
|
|
222 14F 0 -0.00003 0.00006 0.00000 0.00011 0.00013
|
|
223 14F+1 0.00002 -0.00004 0.00000 -0.00008 -0.00012
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278 14F+1 0.00000 0.00000 0.00000 0.00000 0.00001
|
|
279 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
266 267 268 269 270
|
|
266 12D+1 0.00002
|
|
267 12D-1 0.00001 0.00001
|
|
268 12D+2 -0.00001 0.00000 0.00003
|
|
269 12D-2 -0.00001 -0.00001 0.00000 0.00001
|
|
270 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
271 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
272 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
273 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
274 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
275 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
276 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
277 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
278 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
279 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
271 272 273 274 275
|
|
271 13F+1 0.00000
|
|
272 13F-1 0.00000 0.00000
|
|
273 13F+2 0.00000 0.00000 0.00000
|
|
274 13F-2 0.00000 0.00000 0.00000 0.00000
|
|
275 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
276 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
277 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
278 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
279 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
276 277 278 279 280
|
|
276 13F-3 0.00000
|
|
277 14F 0 0.00000 0.00000
|
|
278 14F+1 0.00000 0.00000 0.00000
|
|
279 14F-1 0.00000 0.00000 0.00000 0.00000
|
|
280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 282 283 284 285
|
|
281 14F-2 0.00000
|
|
282 14F+3 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 287 288 289 290
|
|
286 15G-1 0.00000
|
|
287 15G+2 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 292
|
|
291 15G+4 0.00000
|
|
292 15G-4 0.00000 0.00000
|
|
Full Mulliken population analysis:
|
|
1 2 3 4 5
|
|
1 1 O 1S 0.68385
|
|
2 2S 0.45248 0.45736
|
|
3 3S 0.03392 0.04091 0.00834
|
|
4 4S -0.02460 -0.08332 0.00559 0.25788
|
|
5 5S -0.01797 -0.06675 0.00564 0.31451 0.51865
|
|
6 6S -0.00388 -0.01495 0.00154 0.08974 0.19295
|
|
7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
19 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
20 11PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
22 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
25 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
30 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
36 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
37 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
41 15D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
44 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
50 17F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
51 17F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
57 18F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
58 18F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
64 19G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
66 19G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
67 19G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
70 19G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
71 19G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
76 20G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
79 20G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
80 20G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
83 21H-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
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 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
87 21H-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
88 21H+4 0.00000 0.00000 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 0.00000 0.00000
|
|
91 21H-5 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
92 2 O 1S 0.00000 0.00000 0.00000 0.00000 0.00004
|
|
93 2S 0.00000 0.00000 0.00000 0.00000 0.00018
|
|
94 3S 0.00000 0.00000 0.00000 0.00000 -0.00004
|
|
95 4S 0.00000 0.00000 0.00000 -0.00021 -0.00214
|
|
96 5S 0.00004 0.00018 -0.00004 -0.00214 -0.00953
|
|
97 6S 0.00019 0.00078 -0.00009 -0.00557 -0.01731
|
|
98 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
99 7PY 0.00000 0.00000 0.00000 0.00001 0.00018
|
|
100 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
101 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
102 8PY 0.00000 0.00000 0.00000 0.00011 0.00113
|
|
103 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
104 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
105 9PY -0.00002 -0.00010 0.00000 0.00147 0.00627
|
|
106 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
107 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
108 10PY -0.00016 -0.00051 -0.00007 0.00215 0.00791
|
|
109 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
110 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
111 11PY 0.00004 0.00018 -0.00006 -0.00151 -0.00150
|
|
112 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
113 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
114 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
115 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
116 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
117 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
118 13D 0 0.00000 0.00000 0.00000 0.00000 0.00002
|
|
119 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
120 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
121 13D+2 0.00000 0.00000 0.00000 0.00001 0.00006
|
|
122 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
123 14D 0 0.00000 -0.00001 0.00000 0.00015 0.00034
|
|
124 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
125 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
126 14D+2 -0.00001 -0.00005 0.00000 0.00057 0.00125
|
|
127 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
128 15D 0 -0.00003 -0.00009 0.00000 0.00040 0.00071
|
|
129 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
130 15D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
131 15D+2 -0.00010 -0.00035 0.00001 0.00166 0.00293
|
|
132 15D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
133 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
134 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
135 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
136 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
137 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
138 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
139 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
140 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
141 17F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
142 17F-1 0.00000 0.00000 0.00000 0.00002 0.00003
|
|
143 17F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
144 17F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
145 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
146 17F-3 0.00000 0.00000 0.00000 0.00003 0.00005
|
|
147 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
148 18F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
149 18F-1 -0.00001 -0.00005 0.00000 0.00020 0.00024
|
|
150 18F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
151 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
152 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
153 18F-3 -0.00002 -0.00007 0.00000 0.00033 0.00041
|
|
154 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
155 19G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
156 19G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
157 19G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
158 19G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
159 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
160 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
161 19G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
162 19G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
163 20G 0 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
164 20G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
165 20G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
166 20G+2 0.00000 0.00000 0.00000 0.00001 0.00001
|
|
167 20G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
168 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
169 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
170 20G+4 0.00000 0.00000 0.00000 0.00003 0.00002
|
|
171 20G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
172 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
173 21H+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
174 21H-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
175 21H+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
176 21H-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
177 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
178 21H-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
179 21H+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
180 21H-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
181 21H+5 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
182 21H-5 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
183 3 H 1S 0.00000 0.00000 0.00000 0.00033 0.00126
|
|
184 2S -0.00004 -0.00019 0.00001 0.00268 0.00639
|
|
185 3S -0.00032 -0.00102 -0.00007 0.00542 0.00822
|
|
186 4S 0.00012 0.00056 -0.00015 -0.00414 -0.01397
|
|
187 5S -0.00002 -0.00006 0.00001 0.00047 0.00073
|
|
188 6PX 0.00000 0.00000 0.00000 0.00004 0.00007
|
|
189 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
190 6PZ 0.00000 0.00000 0.00000 0.00002 0.00003
|
|
191 7PX -0.00001 -0.00003 0.00000 0.00040 0.00061
|
|
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290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
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291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
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292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
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246 247 248 249 250
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246 7PX 0.00012
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247 7PY 0.00000 0.00003
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248 7PZ 0.00000 0.00000 0.00008
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249 8PX 0.00022 0.00000 0.00000 0.00083
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250 8PY 0.00000 0.00005 0.00000 0.00000 0.00026
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251 8PZ 0.00000 0.00000 0.00017 0.00000 0.00000
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252 9PX 0.00006 0.00000 0.00000 0.00055 0.00000
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253 9PY 0.00000 0.00001 0.00000 0.00000 0.00012
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254 9PZ 0.00000 0.00000 0.00008 0.00000 0.00000
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255 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
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258 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
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259 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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264 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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266 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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267 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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268 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
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269 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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270 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
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271 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
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272 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
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273 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
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274 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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275 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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276 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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277 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
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278 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
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279 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
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280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
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281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
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285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
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286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
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287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
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288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
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289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
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290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
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291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
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292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
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251 252 253 254 255
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251 8PZ 0.00067
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252 9PX 0.00000 0.00116
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253 9PY 0.00000 0.00000 0.00022
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254 9PZ 0.00057 0.00000 0.00000 0.00111
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255 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
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256 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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257 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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258 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
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259 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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260 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
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261 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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262 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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263 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
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264 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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265 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
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266 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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267 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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268 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
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269 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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270 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
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271 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
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272 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
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273 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
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274 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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275 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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276 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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277 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
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278 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
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279 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
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280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
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281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
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285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
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286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
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287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
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288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
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289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
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290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
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291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
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292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
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256 257 258 259 260
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|
256 10D+1 0.00000
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257 10D-1 0.00000 0.00000
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258 10D+2 0.00000 0.00000 0.00000
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259 10D-2 0.00000 0.00000 0.00000 0.00000
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260 11D 0 0.00000 0.00000 0.00000 0.00000 0.00001
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261 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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262 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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263 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
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264 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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265 12D 0 0.00000 0.00000 0.00000 0.00000 0.00002
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266 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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267 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
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268 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
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269 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
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270 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
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271 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
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272 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
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273 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
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274 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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275 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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276 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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277 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
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278 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
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279 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
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280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
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281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
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285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
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286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
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287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
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288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
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289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
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290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
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291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
261 262 263 264 265
|
|
261 11D+1 0.00001
|
|
262 11D-1 0.00000 0.00000
|
|
263 11D+2 0.00000 0.00000 0.00001
|
|
264 11D-2 0.00000 0.00000 0.00000 0.00001
|
|
265 12D 0 0.00000 0.00000 0.00000 0.00000 0.00007
|
|
266 12D+1 0.00001 0.00000 0.00000 0.00000 0.00000
|
|
267 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
268 12D+2 0.00000 0.00000 0.00001 0.00000 0.00000
|
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269 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
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270 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
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271 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
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272 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
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273 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
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274 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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275 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
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276 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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277 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
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278 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
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279 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
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280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
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281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
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284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
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285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
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286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
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287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
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288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
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290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
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292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
266 267 268 269 270
|
|
266 12D+1 0.00005
|
|
267 12D-1 0.00000 0.00002
|
|
268 12D+2 0.00000 0.00000 0.00005
|
|
269 12D-2 0.00000 0.00000 0.00000 0.00002
|
|
270 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
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271 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
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272 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
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273 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
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274 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
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275 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
276 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
277 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
278 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
279 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
271 272 273 274 275
|
|
271 13F+1 0.00000
|
|
272 13F-1 0.00000 0.00000
|
|
273 13F+2 0.00000 0.00000 0.00000
|
|
274 13F-2 0.00000 0.00000 0.00000 0.00000
|
|
275 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
276 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
277 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
278 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
279 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
276 277 278 279 280
|
|
276 13F-3 0.00000
|
|
277 14F 0 0.00000 0.00000
|
|
278 14F+1 0.00000 0.00000 0.00000
|
|
279 14F-1 0.00000 0.00000 0.00000 0.00000
|
|
280 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
282 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
281 282 283 284 285
|
|
281 14F-2 0.00000
|
|
282 14F+3 0.00000 0.00000
|
|
283 14F-3 0.00000 0.00000 0.00000
|
|
284 15G 0 0.00000 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
286 287 288 289 290
|
|
286 15G-1 0.00000
|
|
287 15G+2 0.00000 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00000 0.00000 0.00000 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
|
|
291 292
|
|
291 15G+4 0.00000
|
|
292 15G-4 0.00000 0.00000
|
|
Gross orbital populations:
|
|
Total Alpha Beta Spin
|
|
1 1 O 1S 1.12305 0.56153 0.56153 0.00000
|
|
2 2S 0.78362 0.39181 0.39181 0.00000
|
|
3 3S 0.09552 0.04776 0.04776 0.00000
|
|
4 4S 0.56867 0.28434 0.28434 0.00000
|
|
5 5S 0.95235 0.47618 0.47618 0.00000
|
|
6 6S 0.31135 0.15567 0.15567 0.00000
|
|
7 7PX 0.11320 0.05660 0.05660 0.00000
|
|
8 7PY 0.06450 0.03225 0.03225 0.00000
|
|
9 7PZ 0.12784 0.06392 0.06392 0.00000
|
|
10 8PX 0.31924 0.15962 0.15962 0.00000
|
|
11 8PY 0.18546 0.09273 0.09273 0.00000
|
|
12 8PZ 0.35704 0.17852 0.17852 0.00000
|
|
13 9PX 0.57901 0.28950 0.28950 0.00000
|
|
14 9PY 0.38166 0.19083 0.19083 0.00000
|
|
15 9PZ 0.62569 0.31285 0.31285 0.00000
|
|
16 10PX 0.48407 0.24204 0.24204 0.00000
|
|
17 10PY 0.33408 0.16704 0.16704 0.00000
|
|
18 10PZ 0.53626 0.26813 0.26813 0.00000
|
|
19 11PX 0.11790 0.05895 0.05895 0.00000
|
|
20 11PY 0.04932 0.02466 0.02466 0.00000
|
|
21 11PZ 0.15093 0.07547 0.07547 0.00000
|
|
22 12D 0 0.00002 0.00001 0.00001 0.00000
|
|
23 12D+1 0.00004 0.00002 0.00002 0.00000
|
|
24 12D-1 0.00001 0.00001 0.00001 0.00000
|
|
25 12D+2 0.00007 0.00003 0.00003 0.00000
|
|
26 12D-2 0.00001 0.00001 0.00001 0.00000
|
|
27 13D 0 0.00025 0.00013 0.00013 0.00000
|
|
28 13D+1 0.00061 0.00030 0.00030 0.00000
|
|
29 13D-1 0.00017 0.00009 0.00009 0.00000
|
|
30 13D+2 0.00089 0.00045 0.00045 0.00000
|
|
31 13D-2 0.00017 0.00009 0.00009 0.00000
|
|
32 14D 0 0.00237 0.00118 0.00118 0.00000
|
|
33 14D+1 0.00432 0.00216 0.00216 0.00000
|
|
34 14D-1 0.00266 0.00133 0.00133 0.00000
|
|
35 14D+2 0.00956 0.00478 0.00478 0.00000
|
|
36 14D-2 0.00241 0.00120 0.00120 0.00000
|
|
37 15D 0 0.00252 0.00126 0.00126 0.00000
|
|
38 15D+1 0.00401 0.00201 0.00201 0.00000
|
|
39 15D-1 0.00339 0.00170 0.00170 0.00000
|
|
40 15D+2 0.00964 0.00482 0.00482 0.00000
|
|
41 15D-2 0.00099 0.00049 0.00049 0.00000
|
|
42 16F 0 0.00000 0.00000 0.00000 0.00000
|
|
43 16F+1 0.00000 0.00000 0.00000 0.00000
|
|
44 16F-1 0.00000 0.00000 0.00000 0.00000
|
|
45 16F+2 0.00000 0.00000 0.00000 0.00000
|
|
46 16F-2 0.00000 0.00000 0.00000 0.00000
|
|
47 16F+3 0.00000 0.00000 0.00000 0.00000
|
|
48 16F-3 0.00000 0.00000 0.00000 0.00000
|
|
49 17F 0 0.00017 0.00009 0.00009 0.00000
|
|
50 17F+1 0.00007 0.00004 0.00004 0.00000
|
|
51 17F-1 0.00022 0.00011 0.00011 0.00000
|
|
52 17F+2 0.00029 0.00015 0.00015 0.00000
|
|
53 17F-2 0.00005 0.00003 0.00003 0.00000
|
|
54 17F+3 0.00019 0.00009 0.00009 0.00000
|
|
55 17F-3 0.00030 0.00015 0.00015 0.00000
|
|
56 18F 0 0.00075 0.00038 0.00038 0.00000
|
|
57 18F+1 0.00021 0.00011 0.00011 0.00000
|
|
58 18F-1 0.00084 0.00042 0.00042 0.00000
|
|
59 18F+2 0.00096 0.00048 0.00048 0.00000
|
|
60 18F-2 0.00008 0.00004 0.00004 0.00000
|
|
61 18F+3 0.00109 0.00055 0.00055 0.00000
|
|
62 18F-3 0.00122 0.00061 0.00061 0.00000
|
|
63 19G 0 0.00000 0.00000 0.00000 0.00000
|
|
64 19G+1 0.00000 0.00000 0.00000 0.00000
|
|
65 19G-1 0.00000 0.00000 0.00000 0.00000
|
|
66 19G+2 0.00000 0.00000 0.00000 0.00000
|
|
67 19G-2 0.00000 0.00000 0.00000 0.00000
|
|
68 19G+3 0.00000 0.00000 0.00000 0.00000
|
|
69 19G-3 0.00000 0.00000 0.00000 0.00000
|
|
70 19G+4 0.00000 0.00000 0.00000 0.00000
|
|
71 19G-4 0.00000 0.00000 0.00000 0.00000
|
|
72 20G 0 0.00007 0.00003 0.00003 0.00000
|
|
73 20G+1 0.00002 0.00001 0.00001 0.00000
|
|
74 20G-1 0.00011 0.00005 0.00005 0.00000
|
|
75 20G+2 0.00010 0.00005 0.00005 0.00000
|
|
76 20G-2 0.00003 0.00002 0.00002 0.00000
|
|
77 20G+3 0.00003 0.00002 0.00002 0.00000
|
|
78 20G-3 0.00009 0.00004 0.00004 0.00000
|
|
79 20G+4 0.00014 0.00007 0.00007 0.00000
|
|
80 20G-4 0.00016 0.00008 0.00008 0.00000
|
|
81 21H 0 0.00000 0.00000 0.00000 0.00000
|
|
82 21H+1 0.00000 0.00000 0.00000 0.00000
|
|
83 21H-1 0.00000 0.00000 0.00000 0.00000
|
|
84 21H+2 0.00000 0.00000 0.00000 0.00000
|
|
85 21H-2 0.00000 0.00000 0.00000 0.00000
|
|
86 21H+3 0.00000 0.00000 0.00000 0.00000
|
|
87 21H-3 0.00000 0.00000 0.00000 0.00000
|
|
88 21H+4 0.00000 0.00000 0.00000 0.00000
|
|
89 21H-4 0.00000 0.00000 0.00000 0.00000
|
|
90 21H+5 0.00000 0.00000 0.00000 0.00000
|
|
91 21H-5 0.00001 0.00000 0.00000 0.00000
|
|
92 2 O 1S 1.12305 0.56153 0.56153 0.00000
|
|
93 2S 0.78362 0.39181 0.39181 0.00000
|
|
94 3S 0.09552 0.04776 0.04776 0.00000
|
|
95 4S 0.56867 0.28434 0.28434 0.00000
|
|
96 5S 0.95235 0.47618 0.47618 0.00000
|
|
97 6S 0.31135 0.15567 0.15567 0.00000
|
|
98 7PX 0.11320 0.05660 0.05660 0.00000
|
|
99 7PY 0.06450 0.03225 0.03225 0.00000
|
|
100 7PZ 0.12784 0.06392 0.06392 0.00000
|
|
101 8PX 0.31924 0.15962 0.15962 0.00000
|
|
102 8PY 0.18546 0.09273 0.09273 0.00000
|
|
103 8PZ 0.35704 0.17852 0.17852 0.00000
|
|
104 9PX 0.57901 0.28950 0.28950 0.00000
|
|
105 9PY 0.38166 0.19083 0.19083 0.00000
|
|
106 9PZ 0.62569 0.31285 0.31285 0.00000
|
|
107 10PX 0.48407 0.24204 0.24204 0.00000
|
|
108 10PY 0.33408 0.16704 0.16704 0.00000
|
|
109 10PZ 0.53626 0.26813 0.26813 0.00000
|
|
110 11PX 0.11790 0.05895 0.05895 0.00000
|
|
111 11PY 0.04932 0.02466 0.02466 0.00000
|
|
112 11PZ 0.15093 0.07547 0.07547 0.00000
|
|
113 12D 0 0.00002 0.00001 0.00001 0.00000
|
|
114 12D+1 0.00004 0.00002 0.00002 0.00000
|
|
115 12D-1 0.00001 0.00001 0.00001 0.00000
|
|
116 12D+2 0.00007 0.00003 0.00003 0.00000
|
|
117 12D-2 0.00001 0.00001 0.00001 0.00000
|
|
118 13D 0 0.00025 0.00013 0.00013 0.00000
|
|
119 13D+1 0.00061 0.00030 0.00030 0.00000
|
|
120 13D-1 0.00017 0.00009 0.00009 0.00000
|
|
121 13D+2 0.00089 0.00045 0.00045 0.00000
|
|
122 13D-2 0.00017 0.00009 0.00009 0.00000
|
|
123 14D 0 0.00237 0.00118 0.00118 0.00000
|
|
124 14D+1 0.00432 0.00216 0.00216 0.00000
|
|
125 14D-1 0.00266 0.00133 0.00133 0.00000
|
|
126 14D+2 0.00956 0.00478 0.00478 0.00000
|
|
127 14D-2 0.00241 0.00120 0.00120 0.00000
|
|
128 15D 0 0.00252 0.00126 0.00126 0.00000
|
|
129 15D+1 0.00401 0.00201 0.00201 0.00000
|
|
130 15D-1 0.00339 0.00170 0.00170 0.00000
|
|
131 15D+2 0.00964 0.00482 0.00482 0.00000
|
|
132 15D-2 0.00099 0.00049 0.00049 0.00000
|
|
133 16F 0 0.00000 0.00000 0.00000 0.00000
|
|
134 16F+1 0.00000 0.00000 0.00000 0.00000
|
|
135 16F-1 0.00000 0.00000 0.00000 0.00000
|
|
136 16F+2 0.00000 0.00000 0.00000 0.00000
|
|
137 16F-2 0.00000 0.00000 0.00000 0.00000
|
|
138 16F+3 0.00000 0.00000 0.00000 0.00000
|
|
139 16F-3 0.00000 0.00000 0.00000 0.00000
|
|
140 17F 0 0.00017 0.00009 0.00009 0.00000
|
|
141 17F+1 0.00007 0.00004 0.00004 0.00000
|
|
142 17F-1 0.00022 0.00011 0.00011 0.00000
|
|
143 17F+2 0.00029 0.00015 0.00015 0.00000
|
|
144 17F-2 0.00005 0.00003 0.00003 0.00000
|
|
145 17F+3 0.00019 0.00009 0.00009 0.00000
|
|
146 17F-3 0.00030 0.00015 0.00015 0.00000
|
|
147 18F 0 0.00075 0.00038 0.00038 0.00000
|
|
148 18F+1 0.00021 0.00011 0.00011 0.00000
|
|
149 18F-1 0.00084 0.00042 0.00042 0.00000
|
|
150 18F+2 0.00096 0.00048 0.00048 0.00000
|
|
151 18F-2 0.00008 0.00004 0.00004 0.00000
|
|
152 18F+3 0.00109 0.00055 0.00055 0.00000
|
|
153 18F-3 0.00122 0.00061 0.00061 0.00000
|
|
154 19G 0 0.00000 0.00000 0.00000 0.00000
|
|
155 19G+1 0.00000 0.00000 0.00000 0.00000
|
|
156 19G-1 0.00000 0.00000 0.00000 0.00000
|
|
157 19G+2 0.00000 0.00000 0.00000 0.00000
|
|
158 19G-2 0.00000 0.00000 0.00000 0.00000
|
|
159 19G+3 0.00000 0.00000 0.00000 0.00000
|
|
160 19G-3 0.00000 0.00000 0.00000 0.00000
|
|
161 19G+4 0.00000 0.00000 0.00000 0.00000
|
|
162 19G-4 0.00000 0.00000 0.00000 0.00000
|
|
163 20G 0 0.00007 0.00003 0.00003 0.00000
|
|
164 20G+1 0.00002 0.00001 0.00001 0.00000
|
|
165 20G-1 0.00011 0.00005 0.00005 0.00000
|
|
166 20G+2 0.00010 0.00005 0.00005 0.00000
|
|
167 20G-2 0.00003 0.00002 0.00002 0.00000
|
|
168 20G+3 0.00003 0.00002 0.00002 0.00000
|
|
169 20G-3 0.00009 0.00004 0.00004 0.00000
|
|
170 20G+4 0.00014 0.00007 0.00007 0.00000
|
|
171 20G-4 0.00016 0.00008 0.00008 0.00000
|
|
172 21H 0 0.00000 0.00000 0.00000 0.00000
|
|
173 21H+1 0.00000 0.00000 0.00000 0.00000
|
|
174 21H-1 0.00000 0.00000 0.00000 0.00000
|
|
175 21H+2 0.00000 0.00000 0.00000 0.00000
|
|
176 21H-2 0.00000 0.00000 0.00000 0.00000
|
|
177 21H+3 0.00000 0.00000 0.00000 0.00000
|
|
178 21H-3 0.00000 0.00000 0.00000 0.00000
|
|
179 21H+4 0.00000 0.00000 0.00000 0.00000
|
|
180 21H-4 0.00000 0.00000 0.00000 0.00000
|
|
181 21H+5 0.00000 0.00000 0.00000 0.00000
|
|
182 21H-5 0.00001 0.00000 0.00000 0.00000
|
|
183 3 H 1S 0.03433 0.01716 0.01716 0.00000
|
|
184 2S 0.14740 0.07370 0.07370 0.00000
|
|
185 3S 0.28730 0.14365 0.14365 0.00000
|
|
186 4S 0.12231 0.06115 0.06115 0.00000
|
|
187 5S 0.00764 0.00382 0.00382 0.00000
|
|
188 6PX 0.00043 0.00021 0.00021 0.00000
|
|
189 6PY 0.00008 0.00004 0.00004 0.00000
|
|
190 6PZ 0.00027 0.00013 0.00013 0.00000
|
|
191 7PX 0.00378 0.00189 0.00189 0.00000
|
|
192 7PY 0.00093 0.00047 0.00047 0.00000
|
|
193 7PZ 0.00268 0.00134 0.00134 0.00000
|
|
194 8PX 0.01396 0.00698 0.00698 0.00000
|
|
195 8PY 0.00644 0.00322 0.00322 0.00000
|
|
196 8PZ 0.01319 0.00659 0.00659 0.00000
|
|
197 9PX 0.00735 0.00367 0.00367 0.00000
|
|
198 9PY 0.00633 0.00317 0.00317 0.00000
|
|
199 9PZ 0.01893 0.00947 0.00947 0.00000
|
|
200 10D 0 0.00007 0.00003 0.00003 0.00000
|
|
201 10D+1 0.00016 0.00008 0.00008 0.00000
|
|
202 10D-1 0.00002 0.00001 0.00001 0.00000
|
|
203 10D+2 0.00010 0.00005 0.00005 0.00000
|
|
204 10D-2 0.00005 0.00002 0.00002 0.00000
|
|
205 11D 0 0.00096 0.00048 0.00048 0.00000
|
|
206 11D+1 0.00076 0.00038 0.00038 0.00000
|
|
207 11D-1 0.00023 0.00012 0.00012 0.00000
|
|
208 11D+2 0.00061 0.00030 0.00030 0.00000
|
|
209 11D-2 0.00047 0.00023 0.00023 0.00000
|
|
210 12D 0 0.00446 0.00223 0.00223 0.00000
|
|
211 12D+1 0.00149 0.00074 0.00074 0.00000
|
|
212 12D-1 0.00071 0.00035 0.00035 0.00000
|
|
213 12D+2 0.00269 0.00134 0.00134 0.00000
|
|
214 12D-2 0.00021 0.00011 0.00011 0.00000
|
|
215 13F 0 0.00002 0.00001 0.00001 0.00000
|
|
216 13F+1 0.00006 0.00003 0.00003 0.00000
|
|
217 13F-1 0.00000 0.00000 0.00000 0.00000
|
|
218 13F+2 0.00003 0.00002 0.00002 0.00000
|
|
219 13F-2 0.00002 0.00001 0.00001 0.00000
|
|
220 13F+3 0.00002 0.00001 0.00001 0.00000
|
|
221 13F-3 0.00002 0.00001 0.00001 0.00000
|
|
222 14F 0 0.00013 0.00007 0.00007 0.00000
|
|
223 14F+1 0.00076 0.00038 0.00038 0.00000
|
|
224 14F-1 0.00006 0.00003 0.00003 0.00000
|
|
225 14F+2 0.00017 0.00008 0.00008 0.00000
|
|
226 14F-2 0.00001 0.00001 0.00001 0.00000
|
|
227 14F+3 0.00024 0.00012 0.00012 0.00000
|
|
228 14F-3 -0.00004 -0.00002 -0.00002 0.00000
|
|
229 15G 0 0.00001 0.00000 0.00000 0.00000
|
|
230 15G+1 0.00002 0.00001 0.00001 0.00000
|
|
231 15G-1 0.00000 0.00000 0.00000 0.00000
|
|
232 15G+2 0.00001 0.00001 0.00001 0.00000
|
|
233 15G-2 0.00000 0.00000 0.00000 0.00000
|
|
234 15G+3 0.00001 0.00001 0.00001 0.00000
|
|
235 15G-3 0.00000 0.00000 0.00000 0.00000
|
|
236 15G+4 0.00000 0.00000 0.00000 0.00000
|
|
237 15G-4 0.00000 0.00000 0.00000 0.00000
|
|
238 4 H 1S 0.03433 0.01716 0.01716 0.00000
|
|
239 2S 0.14740 0.07370 0.07370 0.00000
|
|
240 3S 0.28730 0.14365 0.14365 0.00000
|
|
241 4S 0.12231 0.06115 0.06115 0.00000
|
|
242 5S 0.00764 0.00382 0.00382 0.00000
|
|
243 6PX 0.00043 0.00021 0.00021 0.00000
|
|
244 6PY 0.00008 0.00004 0.00004 0.00000
|
|
245 6PZ 0.00027 0.00013 0.00013 0.00000
|
|
246 7PX 0.00378 0.00189 0.00189 0.00000
|
|
247 7PY 0.00093 0.00047 0.00047 0.00000
|
|
248 7PZ 0.00268 0.00134 0.00134 0.00000
|
|
249 8PX 0.01396 0.00698 0.00698 0.00000
|
|
250 8PY 0.00644 0.00322 0.00322 0.00000
|
|
251 8PZ 0.01319 0.00659 0.00659 0.00000
|
|
252 9PX 0.00735 0.00367 0.00367 0.00000
|
|
253 9PY 0.00633 0.00317 0.00317 0.00000
|
|
254 9PZ 0.01893 0.00947 0.00947 0.00000
|
|
255 10D 0 0.00007 0.00003 0.00003 0.00000
|
|
256 10D+1 0.00016 0.00008 0.00008 0.00000
|
|
257 10D-1 0.00002 0.00001 0.00001 0.00000
|
|
258 10D+2 0.00010 0.00005 0.00005 0.00000
|
|
259 10D-2 0.00005 0.00002 0.00002 0.00000
|
|
260 11D 0 0.00096 0.00048 0.00048 0.00000
|
|
261 11D+1 0.00076 0.00038 0.00038 0.00000
|
|
262 11D-1 0.00023 0.00012 0.00012 0.00000
|
|
263 11D+2 0.00061 0.00030 0.00030 0.00000
|
|
264 11D-2 0.00047 0.00023 0.00023 0.00000
|
|
265 12D 0 0.00446 0.00223 0.00223 0.00000
|
|
266 12D+1 0.00149 0.00074 0.00074 0.00000
|
|
267 12D-1 0.00071 0.00035 0.00035 0.00000
|
|
268 12D+2 0.00269 0.00134 0.00134 0.00000
|
|
269 12D-2 0.00021 0.00011 0.00011 0.00000
|
|
270 13F 0 0.00002 0.00001 0.00001 0.00000
|
|
271 13F+1 0.00006 0.00003 0.00003 0.00000
|
|
272 13F-1 0.00000 0.00000 0.00000 0.00000
|
|
273 13F+2 0.00003 0.00002 0.00002 0.00000
|
|
274 13F-2 0.00002 0.00001 0.00001 0.00000
|
|
275 13F+3 0.00002 0.00001 0.00001 0.00000
|
|
276 13F-3 0.00002 0.00001 0.00001 0.00000
|
|
277 14F 0 0.00013 0.00007 0.00007 0.00000
|
|
278 14F+1 0.00076 0.00038 0.00038 0.00000
|
|
279 14F-1 0.00006 0.00003 0.00003 0.00000
|
|
280 14F+2 0.00017 0.00008 0.00008 0.00000
|
|
281 14F-2 0.00001 0.00001 0.00001 0.00000
|
|
282 14F+3 0.00024 0.00012 0.00012 0.00000
|
|
283 14F-3 -0.00004 -0.00002 -0.00002 0.00000
|
|
284 15G 0 0.00001 0.00000 0.00000 0.00000
|
|
285 15G+1 0.00002 0.00001 0.00001 0.00000
|
|
286 15G-1 0.00000 0.00000 0.00000 0.00000
|
|
287 15G+2 0.00001 0.00001 0.00001 0.00000
|
|
288 15G-2 0.00000 0.00000 0.00000 0.00000
|
|
289 15G+3 0.00001 0.00001 0.00001 0.00000
|
|
290 15G-3 0.00000 0.00000 0.00000 0.00000
|
|
291 15G+4 0.00000 0.00000 0.00000 0.00000
|
|
292 15G-4 0.00000 0.00000 0.00000 0.00000
|
|
Condensed to atoms (all electrons):
|
|
1 2 3 4
|
|
1 O 7.936847 0.073084 0.330678 -0.028503
|
|
2 O 0.073084 7.936847 -0.028503 0.330678
|
|
3 H 0.330678 -0.028503 0.392053 -0.006336
|
|
4 H -0.028503 0.330678 -0.006336 0.392053
|
|
Atomic-Atomic Spin Densities.
|
|
1 2 3 4
|
|
1 O 0.000000 0.000000 0.000000 0.000000
|
|
2 O 0.000000 0.000000 0.000000 0.000000
|
|
3 H 0.000000 0.000000 0.000000 0.000000
|
|
4 H 0.000000 0.000000 0.000000 0.000000
|
|
Mulliken charges and spin densities:
|
|
1 2
|
|
1 O -0.312107 0.000000
|
|
2 O -0.312107 0.000000
|
|
3 H 0.312107 0.000000
|
|
4 H 0.312107 0.000000
|
|
Sum of Mulliken charges = 0.00000 0.00000
|
|
Mulliken charges and spin densities with hydrogens summed into heavy atoms:
|
|
1 2
|
|
1 O 0.000000 0.000000
|
|
2 O 0.000000 0.000000
|
|
Electronic spatial extent (au): <R**2>= 65.9939
|
|
Charge= 0.0000 electrons
|
|
Dipole moment (field-independent basis, Debye):
|
|
X= 0.0000 Y= 0.0000 Z= 1.8959 Tot= 1.8959
|
|
Quadrupole moment (field-independent basis, Debye-Ang):
|
|
XX= -9.4762 YY= -11.4198 ZZ= -11.5603
|
|
XY= 3.0513 XZ= 0.0000 YZ= 0.0000
|
|
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
|
|
XX= 1.3425 YY= -0.6010 ZZ= -0.7415
|
|
XY= 3.0513 XZ= 0.0000 YZ= 0.0000
|
|
Octapole moment (field-independent basis, Debye-Ang**2):
|
|
XXX= 0.0000 YYY= 0.0000 ZZZ= 1.1533 XYY= 0.0000
|
|
XXY= 0.0000 XXZ= 1.6009 XZZ= 0.0000 YZZ= 0.0000
|
|
YYZ= 2.0456 XYZ= 1.7934
|
|
Hexadecapole moment (field-independent basis, Debye-Ang**3):
|
|
XXXX= -9.9732 YYYY= -45.0363 ZZZZ= -10.6958 XXXY= 0.4774
|
|
XXXZ= 0.0000 YYYX= 1.3178 YYYZ= 0.0000 ZZZX= 0.0000
|
|
ZZZY= 0.0000 XXYY= -8.2930 XXZZ= -3.0547 YYZZ= -9.8232
|
|
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.1673
|
|
N-N= 3.690322761405D+01 E-N=-4.321763901795D+02 KE= 1.506496852596D+02
|
|
Symmetry A KE= 7.707404173285D+01
|
|
Symmetry B KE= 7.357564352678D+01
|
|
Orbital energies and kinetic energies (alpha):
|
|
1 2
|
|
1 O -20.629341 29.207274
|
|
2 O -20.629045 29.210164
|
|
3 O -1.476958 2.576079
|
|
4 O -1.212958 2.911042
|
|
5 O -0.715691 1.981757
|
|
6 O -0.711062 2.077124
|
|
7 O -0.611120 2.268740
|
|
8 O -0.518168 2.503170
|
|
9 O -0.487253 2.589491
|
|
10 V 0.095867 0.359864
|
|
11 V 0.107988 0.451595
|
|
12 V 0.217243 1.511492
|
|
13 V 0.307069 0.542183
|
|
14 V 0.338804 1.050351
|
|
15 V 0.355916 0.684433
|
|
16 V 0.379121 1.489222
|
|
17 V 0.403790 0.882588
|
|
18 V 0.417200 0.809198
|
|
19 V 0.440429 0.925301
|
|
20 V 0.474462 1.452975
|
|
21 V 0.519938 0.706129
|
|
22 V 0.587549 0.745043
|
|
23 V 0.636384 0.852926
|
|
24 V 0.646497 0.800943
|
|
25 V 0.738381 1.126767
|
|
26 V 0.741092 1.061493
|
|
27 V 0.865993 1.236120
|
|
28 V 0.894830 1.110093
|
|
29 V 0.974039 1.707226
|
|
30 V 0.996073 1.814393
|
|
31 V 1.130880 1.397209
|
|
32 V 1.165307 1.511162
|
|
33 V 1.176638 1.443391
|
|
34 V 1.199579 1.748864
|
|
35 V 1.241177 1.864122
|
|
36 V 1.282057 1.812662
|
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37 V 1.315248 1.634878
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38 V 1.360146 1.980702
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39 V 1.435920 2.076083
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40 V 1.440142 1.802195
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41 V 1.448661 2.376011
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42 V 1.586101 2.297259
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43 V 1.615963 2.049637
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44 V 1.645371 1.908160
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45 V 1.691346 2.136417
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46 V 1.779975 2.254125
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47 V 1.784330 2.654499
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48 V 1.810514 2.087900
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49 V 1.876804 2.605990
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50 V 1.928326 2.383368
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51 V 1.943562 2.388956
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52 V 1.949213 2.243754
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53 V 2.030340 2.572622
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54 V 2.119113 2.414856
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55 V 2.166284 2.519302
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56 V 2.168442 2.635759
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57 V 2.214601 2.528281
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58 V 2.285193 2.717402
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59 V 2.302818 2.641832
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60 V 2.425403 3.191596
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61 V 2.545481 2.971997
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62 V 2.605556 3.279538
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63 V 2.610615 3.551209
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64 V 2.642019 3.669609
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65 V 2.673551 3.323150
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66 V 2.767690 3.541349
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67 V 2.769619 3.282042
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68 V 2.841410 3.275231
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69 V 2.914112 3.807205
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70 V 3.041040 3.432322
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|
71 V 3.052589 3.603296
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|
72 V 3.125432 3.630511
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|
73 V 3.162601 3.933352
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|
74 V 3.180787 3.584692
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75 V 3.233377 3.696036
|
|
76 V 3.251249 3.815957
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|
77 V 3.327199 4.004521
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|
78 V 3.394157 4.148421
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79 V 3.510590 3.928259
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|
80 V 3.564813 4.813555
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81 V 3.584604 4.163445
|
|
82 V 3.626636 4.093254
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83 V 3.641389 4.236673
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84 V 3.697325 4.345872
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85 V 3.701428 4.533143
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86 V 3.751137 4.518174
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87 V 3.873103 4.956406
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88 V 4.008091 4.513675
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89 V 4.028550 4.987044
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90 V 4.070356 4.593774
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91 V 4.102670 4.834216
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92 V 4.152137 4.587080
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93 V 4.279426 4.989959
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94 V 4.430702 5.892305
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95 V 4.467758 5.569411
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|
96 V 4.487028 4.905502
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97 V 4.595502 6.153545
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98 V 4.607647 5.463665
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99 V 4.651018 5.253437
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100 V 4.710165 5.206830
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101 V 4.767646 5.285493
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102 V 4.818780 5.501720
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103 V 4.840502 5.268764
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104 V 4.940148 5.386226
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|
105 V 4.961643 5.494277
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106 V 4.973582 6.439395
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|
107 V 5.062877 6.437649
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108 V 5.151700 6.094834
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|
109 V 5.167054 5.529599
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|
110 V 5.359802 6.021421
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111 V 5.403588 6.054399
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112 V 5.511964 6.844967
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|
113 V 5.613931 6.425788
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114 V 5.700664 7.390962
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115 V 5.712824 6.470233
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116 V 5.761553 7.764740
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117 V 5.863242 7.568172
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118 V 5.985590 6.594408
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119 V 6.103682 6.746207
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120 V 6.198163 6.859482
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121 V 6.237496 6.943120
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|
122 V 6.270643 7.344511
|
|
123 V 6.426411 7.192099
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|
124 V 6.519875 7.468050
|
|
125 V 6.535726 7.596362
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|
126 V 6.620647 7.403888
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|
127 V 6.623642 7.544314
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|
128 V 6.690780 7.692751
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|
129 V 6.799802 7.711184
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|
130 V 6.812266 7.615644
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|
131 V 6.990759 7.765561
|
|
132 V 7.110758 7.877464
|
|
133 V 7.171679 7.858749
|
|
134 V 7.183975 8.065759
|
|
135 V 7.235215 7.809007
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|
136 V 7.320218 7.961683
|
|
137 V 7.375012 8.267336
|
|
138 V 7.421346 8.243801
|
|
139 V 7.478494 8.235174
|
|
140 V 7.503459 8.496804
|
|
141 V 7.584802 8.522776
|
|
142 V 7.608706 8.681655
|
|
143 V 7.612671 8.362801
|
|
144 V 7.701855 8.382476
|
|
145 V 7.705776 8.642469
|
|
146 V 7.715830 8.859166
|
|
147 V 7.800716 8.755329
|
|
148 V 8.031863 9.280355
|
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149 V 8.059128 9.304549
|
|
150 V 8.100119 9.779799
|
|
151 V 8.141739 9.728445
|
|
152 V 8.186746 9.606682
|
|
153 V 8.199483 9.643543
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|
154 V 8.255759 9.514890
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|
155 V 8.403453 10.103495
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|
156 V 8.443866 10.266957
|
|
157 V 8.548249 10.433486
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158 V 8.900228 10.425997
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|
159 V 9.303216 10.698734
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160 V 9.410390 11.043946
|
|
161 V 9.415683 11.131536
|
|
162 V 9.482573 11.485347
|
|
163 V 9.746416 11.662602
|
|
164 V 9.806284 11.644694
|
|
165 V 9.808177 11.730178
|
|
166 V 9.994869 11.774882
|
|
167 V 10.040474 11.890412
|
|
168 V 10.929424 13.669807
|
|
169 V 11.944507 19.030895
|
|
170 V 12.243214 19.092008
|
|
171 V 12.257437 12.841207
|
|
172 V 12.366054 13.557314
|
|
173 V 12.417477 13.040043
|
|
174 V 12.421577 13.398592
|
|
175 V 12.475090 13.158349
|
|
176 V 12.535450 13.045915
|
|
177 V 12.553300 13.163948
|
|
178 V 12.554685 13.238286
|
|
179 V 12.598990 13.304953
|
|
180 V 12.625410 13.213036
|
|
181 V 12.679309 13.765652
|
|
182 V 12.698555 13.223687
|
|
183 V 12.834193 13.584120
|
|
184 V 12.859477 13.608752
|
|
185 V 12.909020 13.588432
|
|
186 V 13.005155 13.954595
|
|
187 V 13.053464 14.289493
|
|
188 V 13.056184 13.965311
|
|
189 V 13.077577 13.887089
|
|
190 V 13.132024 13.996708
|
|
191 V 13.232787 15.089746
|
|
192 V 13.242668 15.357267
|
|
193 V 13.636613 14.312533
|
|
194 V 13.659877 14.335199
|
|
195 V 13.706540 14.383290
|
|
196 V 13.711443 14.413026
|
|
197 V 13.776905 14.578307
|
|
198 V 13.803469 14.540808
|
|
199 V 13.867804 14.883276
|
|
200 V 13.928659 14.974502
|
|
201 V 13.995150 14.825495
|
|
202 V 14.033321 15.067718
|
|
203 V 14.071667 15.018409
|
|
204 V 14.072283 14.826396
|
|
205 V 14.182651 15.299668
|
|
206 V 14.233798 15.037622
|
|
207 V 14.285986 14.985357
|
|
208 V 14.353127 15.020268
|
|
209 V 14.452892 15.307606
|
|
210 V 14.573428 15.708220
|
|
211 V 14.605904 17.179766
|
|
212 V 14.619456 15.955706
|
|
213 V 14.708373 16.995580
|
|
214 V 14.995836 16.043464
|
|
215 V 15.161739 16.534115
|
|
216 V 15.323252 16.748289
|
|
217 V 15.588242 16.536101
|
|
218 V 15.659522 18.375368
|
|
219 V 15.776453 19.032099
|
|
220 V 15.817707 18.352123
|
|
221 V 15.858691 18.604011
|
|
222 V 15.982034 17.249479
|
|
223 V 16.138222 17.487835
|
|
224 V 16.186839 20.516245
|
|
225 V 16.478178 22.639773
|
|
226 V 16.513606 19.329043
|
|
227 V 16.546930 23.043604
|
|
228 V 16.560992 20.202865
|
|
229 V 16.704804 22.882902
|
|
230 V 16.829008 18.140985
|
|
231 V 16.839779 18.213921
|
|
232 V 16.950177 19.627622
|
|
233 V 16.985178 18.624422
|
|
234 V 17.390625 22.175162
|
|
235 V 17.504975 19.047196
|
|
236 V 17.653188 19.311995
|
|
237 V 17.702271 19.257723
|
|
238 V 17.737617 19.644272
|
|
239 V 17.855796 19.730287
|
|
240 V 17.871739 19.939052
|
|
241 V 17.987356 20.049753
|
|
242 V 18.031069 20.091809
|
|
243 V 18.310568 23.213166
|
|
244 V 18.322323 21.845910
|
|
245 V 18.372207 22.903144
|
|
246 V 18.461875 21.382449
|
|
247 V 18.657453 20.714934
|
|
248 V 18.775852 21.202630
|
|
249 V 18.801295 21.286733
|
|
250 V 18.837299 20.963513
|
|
251 V 18.947760 21.260002
|
|
252 V 18.981579 21.206329
|
|
253 V 19.009043 21.779612
|
|
254 V 19.012638 21.956378
|
|
255 V 19.148209 21.740326
|
|
256 V 19.202278 21.397950
|
|
257 V 19.274225 21.643586
|
|
258 V 19.364264 21.624411
|
|
259 V 19.470405 21.835221
|
|
260 V 19.510146 22.079653
|
|
261 V 19.557696 22.206563
|
|
262 V 19.677505 22.455707
|
|
263 V 19.701472 22.397378
|
|
264 V 19.900529 22.686534
|
|
265 V 19.920174 22.757348
|
|
266 V 20.078351 22.995720
|
|
267 V 20.084769 22.985563
|
|
268 V 20.127136 23.086420
|
|
269 V 20.196200 23.083787
|
|
270 V 20.554402 24.201102
|
|
271 V 20.922230 24.922584
|
|
272 V 20.962655 24.274912
|
|
273 V 21.165374 25.375306
|
|
274 V 21.383972 26.761339
|
|
275 V 22.261074 28.227300
|
|
276 V 22.434252 28.128599
|
|
277 V 22.666035 27.557150
|
|
278 V 22.700452 27.678057
|
|
279 V 22.862099 28.434519
|
|
280 V 23.015644 27.878739
|
|
281 V 23.068537 27.183490
|
|
282 V 23.573544 26.956621
|
|
283 V 23.606460 27.107150
|
|
284 V 23.624468 27.438148
|
|
285 V 23.803519 28.444057
|
|
286 V 24.448185 30.396830
|
|
287 V 25.195744 30.900430
|
|
288 V 25.415133 31.120676
|
|
289 V 25.870639 30.877827
|
|
290 V 25.925235 31.191313
|
|
291 V 63.968570 132.078355
|
|
292 V 64.731388 133.211207
|
|
Total kinetic energy from orbitals= 1.506496852596D+02
|
|
Isotropic Fermi Contact Couplings
|
|
Atom a.u. MegaHertz Gauss 10(-4) cm-1
|
|
1 O(17) 0.00000 0.00000 0.00000 0.00000
|
|
2 O(17) 0.00000 0.00000 0.00000 0.00000
|
|
3 H(1) 0.00000 0.00000 0.00000 0.00000
|
|
4 H(1) 0.00000 0.00000 0.00000 0.00000
|
|
--------------------------------------------------------
|
|
Center ---- Spin Dipole Couplings ----
|
|
3XX-RR 3YY-RR 3ZZ-RR
|
|
--------------------------------------------------------
|
|
1 Atom 0.000000 0.000000 0.000000
|
|
2 Atom 0.000000 0.000000 0.000000
|
|
3 Atom 0.000000 0.000000 0.000000
|
|
4 Atom 0.000000 0.000000 0.000000
|
|
--------------------------------------------------------
|
|
XY XZ YZ
|
|
--------------------------------------------------------
|
|
1 Atom 0.000000 0.000000 0.000000
|
|
2 Atom 0.000000 0.000000 0.000000
|
|
3 Atom 0.000000 0.000000 0.000000
|
|
4 Atom 0.000000 0.000000 0.000000
|
|
--------------------------------------------------------
|
|
|
|
|
|
---------------------------------------------------------------------------------
|
|
Anisotropic Spin Dipole Couplings in Principal Axis System
|
|
---------------------------------------------------------------------------------
|
|
|
|
Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes
|
|
|
|
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
|
|
1 O(17) 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 O(17) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
|
|
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
|
|
|
|
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
|
|
3 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
|
|
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
|
|
|
|
Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000
|
|
4 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000
|
|
Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000
|
|
|
|
|
|
---------------------------------------------------------------------------------
|
|
|
|
No NMR shielding tensors so no spin-rotation constants.
|
|
Leave Link 601 at Wed Apr 3 14:55:00 2019, MaxMem= 13421772800 cpu: 25.7
|
|
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
|
|
1\1\GINC-COMPUTE-3-5\SP\ROCCSD(T)-FC\CC-pV5Z\H2O2\LOOS\03-Apr-2019\0\\
|
|
#p ROCCSD(T) cc-pV5Z pop=full gfprint\\G2\\0,1\O\O,1,1.44582784\H,1,0.
|
|
9672488,2,100.44937014\H,2,0.9672488,1,100.44937014,3,112.33679746,0\\
|
|
Version=ES64L-G09RevD.01\State=1-A\HF=-150.8517196\MP2=-151.4040344\MP
|
|
3=-151.3999033\PUHF=-150.8517196\PMP2-0=-151.4040344\MP4SDQ=-151.40405
|
|
44\CCSD=-151.4029097\CCSD(T)=-151.4249564\RMSD=2.336e-09\PG=C02 [X(H2O
|
|
2)]\\@
|
|
|
|
|
|
THE TEST OF A FIRST RATE INTELLIGENCE IS THE ABILITY TO HOLD TWO OPPOSED
|
|
IDEAS IN THE MIND AT THE SAME TIME, AND STILL RETAIN THE ABILITY TO FUNCTION.
|
|
ONE SHOULD, FOR EXAMPLE, BE ABLE TO SEE THAT THINGS ARE HOPELESS AND YET BE
|
|
DETERMINED TO MAKE THEM OTHERWISE.
|
|
|
|
-- F. SCOTT FITZGERALD
|
|
Job cpu time: 1 days 17 hours 5 minutes 17.5 seconds.
|
|
File lengths (MBytes): RWF= 5723 Int= 0 D2E= 0 Chk= 8 Scr= 1
|
|
Normal termination of Gaussian 09 at Wed Apr 3 14:55:00 2019.
|