loos/srDFT_G2
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity
472a688d97
srDFT_G2/G09/Large_core/Molecules/avtz/HCO.out
Pierre-Francois Loos 2d8a5b1ed5 aug
2019-04-05 09:54:06 +02:00

8138 lines
544 KiB
Plaintext
Raw Blame History

Entering Gaussian System, Link 0=g09
Input=HCO.inp
Output=HCO.out
Initial command:
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42959/Gau-127659.inp" -scrdir="/mnt/beegfs/tmpdir/42959/"
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 127660.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
Gaussian, Inc. All Rights Reserved.
This is part of the Gaussian(R) 09 program. It is based on
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.
This software contains proprietary and confidential information,
including trade secrets, belonging to Gaussian, Inc.
This software is provided under written license and may be
used, copied, transmitted, or stored only in accord with that
written license.
The following legend is applicable only to US Government
contracts under FAR:
RESTRICTED RIGHTS LEGEND
Use, reproduction and disclosure by the US Government is
subject to restrictions as set forth in subparagraphs (a)
and (c) of the Commercial Computer Software - Restricted
Rights clause in FAR 52.227-19.
Gaussian, Inc.
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
---------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
assistance to any competitor of Gaussian, Inc. The licensee
of this program is prohibited from giving any competitor of
Gaussian, Inc. access to this program. By using this program,
the user acknowledges that Gaussian, Inc. is engaged in the
business of creating and licensing software in the field of
computational chemistry and represents and warrants to the
licensee that it is not a competitor of Gaussian, Inc. and that
it will not use this program in any manner prohibited above.
---------------------------------------------------------------
Cite this work as:
Gaussian 09, Revision D.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
******************************************
Gaussian 09: ES64L-G09RevD.01 24-Apr-2013
5-Apr-2019
******************************************
%nproc=24
Will use up to 24 processors via shared memory.
%mem=100GB
-----------------------------------------
#p ROCCSD(T) aug-cc-pVTZ pop=full gfprint
-----------------------------------------
1/38=1/1;
2/12=2,17=6,18=5,40=1/2;
3/5=16,6=1,7=10,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3;
4//1;
5/5=2,38=5/2;
8/5=-1,6=4,9=120000,10=1/1,4;
9/5=7,14=2/13;
6/7=3/1;
99/5=1,9=1/99;
Leave Link 1 at Fri Apr 5 07:25:37 2019, MaxMem= 13421772800 cpu: 1.5
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
--
G2
--
Symbolic Z-matrix:
Charge = 0 Multiplicity = 2
C
O 1 CO
H 1 CH 2 HCO
Variables:
CO 1.17621
CH 1.1286
HCO 124.03532
NAtoms= 3 NQM= 3 NQMF= 0 NMMI= 0 NMMIF= 0
NMic= 0 NMicF= 0.
Isotopes and Nuclear Properties:
(Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
in nuclear magnetons)
Atom 1 2 3
IAtWgt= 12 16 1
AtmWgt= 12.0000000 15.9949146 1.0078250
NucSpn= 0 0 1
AtZEff= 0.0000000 0.0000000 0.0000000
NQMom= 0.0000000 0.0000000 0.0000000
NMagM= 0.0000000 0.0000000 2.7928460
AtZNuc= 6.0000000 8.0000000 1.0000000
Leave Link 101 at Fri Apr 5 07:25:37 2019, MaxMem= 13421772800 cpu: 1.4
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe)
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.000000 0.000000 0.000000
2 8 0 0.000000 0.000000 1.176211
3 1 0 0.935259 0.000000 -0.631679
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3
1 C 0.000000
2 O 1.176211 0.000000
3 H 1.128595 2.035479 0.000000
Stoichiometry CHO(2)
Framework group CS[SG(CHO)]
Deg. of freedom 3
Full point group CS NOp 2
Largest Abelian subgroup CS NOp 2
Largest concise Abelian subgroup C1 NOp 1
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.062351 0.585200 0.000000
2 8 0 0.062351 -0.591010 0.000000
3 1 0 -0.872908 1.216880 0.000000
---------------------------------------------------------------------
Rotational constants (GHZ): 705.9011375 44.8277990 42.1510252
Leave Link 202 at Fri Apr 5 07:25:37 2019, MaxMem= 13421772800 cpu: 0.3
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
Standard basis: Aug-CC-pVTZ (5D, 7F)
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
Ernie: 6 primitive shells out of 71 were deleted.
AO basis set (Overlap normalization):
Atom C1 Shell 1 S 7 bf 1 - 1 0.117825528522 1.105868501355 0.000000000000
0.8236000000D+04 0.5419783203D-03
0.1235000000D+04 0.4192873817D-02
0.2808000000D+03 0.2152216205D-01
0.7927000000D+02 0.8353432195D-01
0.2559000000D+02 0.2395828457D+00
0.8997000000D+01 0.4428528419D+00
0.3319000000D+01 0.3517995618D+00
Atom C1 Shell 2 S 6 bf 2 - 2 0.117825528522 1.105868501355 0.000000000000
0.2808000000D+03 -0.5949224937D-04
0.7927000000D+02 -0.1148158310D-02
0.2559000000D+02 -0.1001913745D-01
0.8997000000D+01 -0.6121949230D-01
0.3319000000D+01 -0.1732698541D+00
0.3643000000D+00 0.1072915192D+01
Atom C1 Shell 3 S 1 bf 3 - 3 0.117825528522 1.105868501355 0.000000000000
0.9059000000D+00 0.1000000000D+01
Atom C1 Shell 4 S 1 bf 4 - 4 0.117825528522 1.105868501355 0.000000000000
0.1285000000D+00 0.1000000000D+01
Atom C1 Shell 5 S 1 bf 5 - 5 0.117825528522 1.105868501355 0.000000000000
0.4402000000D-01 0.1000000000D+01
Atom C1 Shell 6 P 3 bf 6 - 8 0.117825528522 1.105868501355 0.000000000000
0.1871000000D+02 0.3942638716D-01
0.4133000000D+01 0.2440889849D+00
0.1200000000D+01 0.8154920089D+00
Atom C1 Shell 7 P 1 bf 9 - 11 0.117825528522 1.105868501355 0.000000000000
0.3827000000D+00 0.1000000000D+01
Atom C1 Shell 8 P 1 bf 12 - 14 0.117825528522 1.105868501355 0.000000000000
0.1209000000D+00 0.1000000000D+01
Atom C1 Shell 9 P 1 bf 15 - 17 0.117825528522 1.105868501355 0.000000000000
0.3569000000D-01 0.1000000000D+01
Atom C1 Shell 10 D 1 bf 18 - 22 0.117825528522 1.105868501355 0.000000000000
0.1097000000D+01 0.1000000000D+01
Atom C1 Shell 11 D 1 bf 23 - 27 0.117825528522 1.105868501355 0.000000000000
0.3180000000D+00 0.1000000000D+01
Atom C1 Shell 12 D 1 bf 28 - 32 0.117825528522 1.105868501355 0.000000000000
0.1000000000D+00 0.1000000000D+01
Atom C1 Shell 13 F 1 bf 33 - 39 0.117825528522 1.105868501355 0.000000000000
0.7610000000D+00 0.1000000000D+01
Atom C1 Shell 14 F 1 bf 40 - 46 0.117825528522 1.105868501355 0.000000000000
0.2680000000D+00 0.1000000000D+01
Atom O2 Shell 15 S 7 bf 47 - 47 0.117825528522 -1.116847539523 0.000000000000
0.1533000000D+05 0.5198089434D-03
0.2299000000D+04 0.4020256215D-02
0.5224000000D+03 0.2071282673D-01
0.1473000000D+03 0.8101055358D-01
0.4755000000D+02 0.2359629851D+00
0.1676000000D+02 0.4426534455D+00
0.6207000000D+01 0.3570644227D+00
Atom O2 Shell 16 S 6 bf 48 - 48 0.117825528522 -1.116847539523 0.000000000000
0.5224000000D+03 -0.4421150084D-04
0.1473000000D+03 -0.1225910413D-02
0.4755000000D+02 -0.1055177248D-01
0.1676000000D+02 -0.6744526326D-01
0.6207000000D+01 -0.1711986073D+00
0.6882000000D+00 0.1073298561D+01
Atom O2 Shell 17 S 1 bf 49 - 49 0.117825528522 -1.116847539523 0.000000000000
0.1752000000D+01 0.1000000000D+01
Atom O2 Shell 18 S 1 bf 50 - 50 0.117825528522 -1.116847539523 0.000000000000
0.2384000000D+00 0.1000000000D+01
Atom O2 Shell 19 S 1 bf 51 - 51 0.117825528522 -1.116847539523 0.000000000000
0.7376000000D-01 0.1000000000D+01
Atom O2 Shell 20 P 3 bf 52 - 54 0.117825528522 -1.116847539523 0.000000000000
0.3446000000D+02 0.4116348957D-01
0.7749000000D+01 0.2577628359D+00
0.2280000000D+01 0.8024192744D+00
Atom O2 Shell 21 P 1 bf 55 - 57 0.117825528522 -1.116847539523 0.000000000000
0.7156000000D+00 0.1000000000D+01
Atom O2 Shell 22 P 1 bf 58 - 60 0.117825528522 -1.116847539523 0.000000000000
0.2140000000D+00 0.1000000000D+01
Atom O2 Shell 23 P 1 bf 61 - 63 0.117825528522 -1.116847539523 0.000000000000
0.5974000000D-01 0.1000000000D+01
Atom O2 Shell 24 D 1 bf 64 - 68 0.117825528522 -1.116847539523 0.000000000000
0.2314000000D+01 0.1000000000D+01
Atom O2 Shell 25 D 1 bf 69 - 73 0.117825528522 -1.116847539523 0.000000000000
0.6450000000D+00 0.1000000000D+01
Atom O2 Shell 26 D 1 bf 74 - 78 0.117825528522 -1.116847539523 0.000000000000
0.2140000000D+00 0.1000000000D+01
Atom O2 Shell 27 F 1 bf 79 - 85 0.117825528522 -1.116847539523 0.000000000000
0.1428000000D+01 0.1000000000D+01
Atom O2 Shell 28 F 1 bf 86 - 92 0.117825528522 -1.116847539523 0.000000000000
0.5000000000D+00 0.1000000000D+01
Atom H3 Shell 29 S 3 bf 93 - 93 -1.649557399306 2.299569308049 0.000000000000
0.3387000000D+02 0.2549486323D-01
0.5095000000D+01 0.1903627659D+00
0.1159000000D+01 0.8521620222D+00
Atom H3 Shell 30 S 1 bf 94 - 94 -1.649557399306 2.299569308049 0.000000000000
0.3258000000D+00 0.1000000000D+01
Atom H3 Shell 31 S 1 bf 95 - 95 -1.649557399306 2.299569308049 0.000000000000
0.1027000000D+00 0.1000000000D+01
Atom H3 Shell 32 S 1 bf 96 - 96 -1.649557399306 2.299569308049 0.000000000000
0.2526000000D-01 0.1000000000D+01
Atom H3 Shell 33 P 1 bf 97 - 99 -1.649557399306 2.299569308049 0.000000000000
0.1407000000D+01 0.1000000000D+01
Atom H3 Shell 34 P 1 bf 100 - 102 -1.649557399306 2.299569308049 0.000000000000
0.3880000000D+00 0.1000000000D+01
Atom H3 Shell 35 P 1 bf 103 - 105 -1.649557399306 2.299569308049 0.000000000000
0.1020000000D+00 0.1000000000D+01
Atom H3 Shell 36 D 1 bf 106 - 110 -1.649557399306 2.299569308049 0.000000000000
0.1057000000D+01 0.1000000000D+01
Atom H3 Shell 37 D 1 bf 111 - 115 -1.649557399306 2.299569308049 0.000000000000
0.2470000000D+00 0.1000000000D+01
There are 92 symmetry adapted cartesian basis functions of A' symmetry.
There are 43 symmetry adapted cartesian basis functions of A" symmetry.
There are 76 symmetry adapted basis functions of A' symmetry.
There are 39 symmetry adapted basis functions of A" symmetry.
115 basis functions, 171 primitive gaussians, 135 cartesian basis functions
8 alpha electrons 7 beta electrons
nuclear repulsion energy 26.4883024281 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= 3 NActive= 3 NUniq= 3 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F
Integral buffers will be 131072 words long.
Raffenetti 2 integral format.
Two-electron integral symmetry is turned on.
Leave Link 301 at Fri Apr 5 07:25:37 2019, MaxMem= 13421772800 cpu: 1.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l302.exe)
NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1
NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.
One-electron integrals computed using PRISM.
NBasis= 115 RedAO= T EigKep= 2.27D-04 NBF= 76 39
NBsUse= 115 1.00D-06 EigRej= -1.00D+00 NBFU= 76 39
Leave Link 302 at Fri Apr 5 07:25:38 2019, MaxMem= 13421772800 cpu: 4.4
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
DipDrv: MaxL=1.
Leave Link 303 at Fri Apr 5 07:25:38 2019, MaxMem= 13421772800 cpu: 0.6
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
ExpMin= 2.53D-02 ExpMax= 1.53D+04 ExpMxC= 5.22D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00
Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess.
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14
ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T
wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
Harris En= -113.300992847907
JPrj=0 DoOrth=F DoCkMO=F.
Initial guess orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A") (A') (A')
Virtual (A") (A') (A') (A') (A") (A') (A') (A') (A") (A')
(A') (A") (A') (A") (A') (A') (A') (A") (A') (A')
(A") (A') (A') (A') (A") (A') (A") (A') (A') (A")
(A') (A') (A') (A") (A") (A') (A") (A') (A") (A')
(A') (A') (A") (A') (A') (A") (A") (A') (A') (A')
(A") (A') (A') (A') (A") (A") (A') (A') (A") (A')
(A') (A") (A') (A") (A') (A') (A') (A") (A') (A")
(A') (A") (A') (A") (A') (A') (A") (A") (A') (A')
(A') (A') (A") (A') (A") (A') (A') (A") (A") (A')
(A') (A') (A') (A") (A') (A") (A') (A") (A') (A")
(A') (A') (A") (A') (A') (A') (A')
The electronic state of the initial guess is 2-A'.
Leave Link 401 at Fri Apr 5 07:25:38 2019, MaxMem= 13421772800 cpu: 5.4
(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=33882027.
IVT= 77474 IEndB= 77474 NGot= 13421772800 MDV= 13399154090
LenX= 13399154090 LenY= 13399135424
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= 6670 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
Cycle 1 Pass 1 IDiag 1:
E= -113.235337418228
DIIS: error= 2.67D-02 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -113.235337418228 IErMin= 1 ErrMin= 2.67D-02
ErrMax= 2.67D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-01 BMatP= 1.78D-01
IDIUse=3 WtCom= 7.33D-01 WtEn= 2.67D-01
Coeff-Com: 0.100D+01
Coeff-En: 0.100D+01
Coeff: 0.100D+01
Gap= 0.127 Goal= None Shift= 0.000
GapD= 0.127 DampG=1.000 DampE=0.500 DampFc=0.5000 IDamp=-1.
Damping current iteration by 5.00D-01
RMSDP=1.77D-03 MaxDP=5.70D-02 OVMax= 8.76D-02
Cycle 2 Pass 1 IDiag 1:
E= -113.260236309285 Delta-E= -0.024898891056 Rises=F Damp=T
DIIS: error= 1.45D-02 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -113.260236309285 IErMin= 2 ErrMin= 1.45D-02
ErrMax= 1.45D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.13D-02 BMatP= 1.78D-01
IDIUse=3 WtCom= 8.55D-01 WtEn= 1.45D-01
Coeff-Com: -0.646D+00 0.165D+01
Coeff-En: 0.000D+00 0.100D+01
Coeff: -0.553D+00 0.155D+01
Gap= 0.127 Goal= None Shift= 0.000
RMSDP=1.44D-03 MaxDP=3.63D-02 DE=-2.49D-02 OVMax= 9.56D-02
Cycle 3 Pass 1 IDiag 1:
E= -113.280676789292 Delta-E= -0.020440480007 Rises=F Damp=F
DIIS: error= 9.87D-03 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -113.280676789292 IErMin= 3 ErrMin= 9.87D-03
ErrMax= 9.87D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-02 BMatP= 4.13D-02
IDIUse=3 WtCom= 9.01D-01 WtEn= 9.87D-02
Coeff-Com: -0.412D+00 0.775D+00 0.637D+00
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.372D+00 0.698D+00 0.673D+00
Gap= 0.125 Goal= None Shift= 0.000
RMSDP=1.37D-03 MaxDP=4.11D-02 DE=-2.04D-02 OVMax= 6.32D-02
Cycle 4 Pass 1 IDiag 1:
E= -113.288015309176 Delta-E= -0.007338519885 Rises=F Damp=F
DIIS: error= 1.21D-03 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -113.288015309176 IErMin= 4 ErrMin= 1.21D-03
ErrMax= 1.21D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-04 BMatP= 1.05D-02
IDIUse=3 WtCom= 9.88D-01 WtEn= 1.21D-02
Coeff-Com: -0.884D-01 0.158D+00 0.163D+00 0.768D+00
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.874D-01 0.156D+00 0.161D+00 0.770D+00
Gap= 0.121 Goal= None Shift= 0.000
RMSDP=1.44D-03 MaxDP=4.68D-02 DE=-7.34D-03 OVMax= 2.61D-02
Cycle 5 Pass 1 IDiag 1:
E= -113.288409918983 Delta-E= -0.000394609807 Rises=F Damp=F
DIIS: error= 8.97D-04 at cycle 5 NSaved= 5.
NSaved= 5 IEnMin= 5 EnMin= -113.288409918983 IErMin= 5 ErrMin= 8.97D-04
ErrMax= 8.97D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 9.93D-05 BMatP= 1.89D-04
IDIUse=3 WtCom= 9.91D-01 WtEn= 8.97D-03
Coeff-Com: 0.380D-01-0.683D-01-0.130D+00 0.124D+00 0.104D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.376D-01-0.676D-01-0.129D+00 0.123D+00 0.104D+01
Gap= 0.122 Goal= None Shift= 0.000
RMSDP=1.36D-03 MaxDP=4.20D-02 DE=-3.95D-04 OVMax= 2.30D-02
Cycle 6 Pass 1 IDiag 1:
E= -113.288585170022 Delta-E= -0.000175251039 Rises=F Damp=F
DIIS: error= 5.18D-04 at cycle 6 NSaved= 6.
NSaved= 6 IEnMin= 6 EnMin= -113.288585170022 IErMin= 6 ErrMin= 5.18D-04
ErrMax= 5.18D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-05 BMatP= 9.93D-05
IDIUse=3 WtCom= 9.95D-01 WtEn= 5.18D-03
Coeff-Com: 0.338D-01-0.600D-01-0.112D+00-0.523D-02 0.534D+00 0.610D+00
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.337D-01-0.597D-01-0.112D+00-0.520D-02 0.531D+00 0.612D+00
Gap= 0.122 Goal= None Shift= 0.000
RMSDP=9.26D-04 MaxDP=3.06D-02 DE=-1.75D-04 OVMax= 1.39D-02
Cycle 7 Pass 1 IDiag 1:
E= -113.288659042255 Delta-E= -0.000073872233 Rises=F Damp=F
DIIS: error= 3.64D-04 at cycle 7 NSaved= 7.
NSaved= 7 IEnMin= 7 EnMin= -113.288659042255 IErMin= 7 ErrMin= 3.64D-04
ErrMax= 3.64D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 9.36D-06 BMatP= 3.08D-05
IDIUse=3 WtCom= 9.96D-01 WtEn= 3.64D-03
Coeff-Com: 0.599D-02-0.102D-01-0.272D-01 0.490D-01-0.730D-01 0.131D+00
Coeff-Com: 0.924D+00
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00
Coeff-En: 0.100D+01
Coeff: 0.597D-02-0.102D-01-0.271D-01 0.489D-01-0.727D-01 0.131D+00
Coeff: 0.924D+00
Gap= 0.122 Goal= None Shift= 0.000
RMSDP=2.27D-04 MaxDP=7.61D-03 DE=-7.39D-05 OVMax= 4.47D-03
Cycle 8 Pass 1 IDiag 1:
E= -113.288691262831 Delta-E= -0.000032220576 Rises=F Damp=F
DIIS: error= 2.88D-04 at cycle 8 NSaved= 8.
NSaved= 8 IEnMin= 8 EnMin= -113.288691262831 IErMin= 8 ErrMin= 2.88D-04
ErrMax= 2.88D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.00D-06 BMatP= 9.36D-06
IDIUse=3 WtCom= 9.97D-01 WtEn= 2.88D-03
Coeff-Com: 0.358D-02-0.611D-02-0.128D-01 0.260D-01-0.638D-01-0.136D+00
Coeff-Com: 0.427D-01 0.115D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00
Coeff-En: 0.000D+00 0.100D+01
Coeff: 0.357D-02-0.609D-02-0.128D-01 0.260D-01-0.636D-01-0.135D+00
Coeff: 0.426D-01 0.115D+01
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=6.09D-05 MaxDP=1.98D-03 DE=-3.22D-05 OVMax= 2.37D-03
Cycle 9 Pass 1 IDiag 1:
E= -113.288709007933 Delta-E= -0.000017745102 Rises=F Damp=F
DIIS: error= 1.48D-04 at cycle 9 NSaved= 9.
NSaved= 9 IEnMin= 9 EnMin= -113.288709007933 IErMin= 9 ErrMin= 1.48D-04
ErrMax= 1.48D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-07 BMatP= 4.00D-06
IDIUse=3 WtCom= 9.99D-01 WtEn= 1.48D-03
Coeff-Com: 0.393D-02-0.705D-02-0.809D-02-0.169D-01 0.857D-01-0.710D-01
Coeff-Com: -0.527D+00 0.956D-01 0.145D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.392D-02-0.704D-02-0.807D-02-0.168D-01 0.855D-01-0.709D-01
Coeff: -0.527D+00 0.955D-01 0.144D+01
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=3.72D-05 MaxDP=9.30D-04 DE=-1.77D-05 OVMax= 1.81D-03
Cycle 10 Pass 1 IDiag 1:
E= -113.288716454299 Delta-E= -0.000007446366 Rises=F Damp=F
DIIS: error= 2.96D-05 at cycle 10 NSaved= 10.
NSaved=10 IEnMin=10 EnMin= -113.288716454299 IErMin=10 ErrMin= 2.96D-05
ErrMax= 2.96D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 9.40D-08 BMatP= 8.79D-07
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.328D-03-0.693D-03 0.509D-03-0.240D-02 0.383D-01 0.561D-01
Coeff-Com: 0.272D-02-0.340D+00 0.943D-01 0.115D+01
Coeff: 0.328D-03-0.693D-03 0.509D-03-0.240D-02 0.383D-01 0.561D-01
Coeff: 0.272D-02-0.340D+00 0.943D-01 0.115D+01
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=1.30D-05 MaxDP=5.95D-04 DE=-7.45D-06 OVMax= 5.08D-04
Cycle 11 Pass 1 IDiag 1:
E= -113.288716824595 Delta-E= -0.000000370296 Rises=F Damp=F
DIIS: error= 9.65D-06 at cycle 11 NSaved= 11.
NSaved=11 IEnMin=11 EnMin= -113.288716824595 IErMin=11 ErrMin= 9.65D-06
ErrMax= 9.65D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 7.52D-09 BMatP= 9.40D-08
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.565D-03 0.986D-03 0.132D-02 0.109D-02-0.992D-02 0.774D-02
Coeff-Com: 0.589D-01-0.364D-02-0.184D+00-0.292D-01 0.116D+01
Coeff: -0.565D-03 0.986D-03 0.132D-02 0.109D-02-0.992D-02 0.774D-02
Coeff: 0.589D-01-0.364D-02-0.184D+00-0.292D-01 0.116D+01
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=4.56D-06 MaxDP=1.47D-04 DE=-3.70D-07 OVMax= 1.43D-04
Cycle 12 Pass 1 IDiag 1:
E= -113.288716853545 Delta-E= -0.000000028951 Rises=F Damp=F
DIIS: error= 2.74D-06 at cycle 12 NSaved= 12.
NSaved=12 IEnMin=12 EnMin= -113.288716853545 IErMin=12 ErrMin= 2.74D-06
ErrMax= 2.74D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 8.33D-10 BMatP= 7.52D-09
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.331D-04 0.680D-04-0.945D-04-0.591D-03-0.438D-02-0.330D-02
Coeff-Com: 0.583D-02 0.327D-01-0.260D-01-0.115D+00 0.135D+00 0.975D+00
Coeff: -0.331D-04 0.680D-04-0.945D-04-0.591D-03-0.438D-02-0.330D-02
Coeff: 0.583D-02 0.327D-01-0.260D-01-0.115D+00 0.135D+00 0.975D+00
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=2.42D-06 MaxDP=7.18D-05 DE=-2.90D-08 OVMax= 5.70D-05
Cycle 13 Pass 1 IDiag 1:
E= -113.288716855259 Delta-E= -0.000000001714 Rises=F Damp=F
DIIS: error= 1.63D-06 at cycle 13 NSaved= 13.
NSaved=13 IEnMin=13 EnMin= -113.288716855259 IErMin=13 ErrMin= 1.63D-06
ErrMax= 1.63D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-10 BMatP= 8.33D-10
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.459D-05-0.480D-05 0.197D-04-0.207D-03-0.371D-03-0.112D-02
Coeff-Com: -0.313D-02 0.572D-02 0.971D-02-0.146D-01-0.792D-01 0.123D+00
Coeff-Com: 0.960D+00
Coeff: 0.459D-05-0.480D-05 0.197D-04-0.207D-03-0.371D-03-0.112D-02
Coeff: -0.313D-02 0.572D-02 0.971D-02-0.146D-01-0.792D-01 0.123D+00
Coeff: 0.960D+00
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=1.41D-06 MaxDP=4.88D-05 DE=-1.71D-09 OVMax= 2.43D-05
Cycle 14 Pass 1 IDiag 1:
E= -113.288716855445 Delta-E= -0.000000000186 Rises=F Damp=F
DIIS: error= 5.60D-07 at cycle 14 NSaved= 14.
NSaved=14 IEnMin=14 EnMin= -113.288716855445 IErMin=14 ErrMin= 5.60D-07
ErrMax= 5.60D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-11 BMatP= 1.31D-10
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.133D-04 0.238D-04 0.798D-04 0.228D-04 0.110D-03-0.760D-04
Coeff-Com: -0.104D-02-0.135D-02 0.464D-02 0.712D-02-0.341D-01-0.803D-01
Coeff-Com: 0.283D+00 0.822D+00
Coeff: -0.133D-04 0.238D-04 0.798D-04 0.228D-04 0.110D-03-0.760D-04
Coeff: -0.104D-02-0.135D-02 0.464D-02 0.712D-02-0.341D-01-0.803D-01
Coeff: 0.283D+00 0.822D+00
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=6.35D-07 MaxDP=1.97D-05 DE=-1.86D-10 OVMax= 1.15D-05
Cycle 15 Pass 1 IDiag 1:
E= -113.288716855492 Delta-E= -0.000000000046 Rises=F Damp=F
DIIS: error= 2.01D-07 at cycle 15 NSaved= 15.
NSaved=15 IEnMin=15 EnMin= -113.288716855492 IErMin=15 ErrMin= 2.01D-07
ErrMax= 2.01D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-12 BMatP= 2.61D-11
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.835D-05 0.146D-04 0.339D-04 0.144D-04 0.252D-04 0.838D-04
Coeff-Com: 0.335D-04-0.764D-03 0.384D-03 0.338D-02-0.122D-02-0.400D-01
Coeff-Com: -0.185D-01 0.253D+00 0.804D+00
Coeff: -0.835D-05 0.146D-04 0.339D-04 0.144D-04 0.252D-04 0.838D-04
Coeff: 0.335D-04-0.764D-03 0.384D-03 0.338D-02-0.122D-02-0.400D-01
Coeff: -0.185D-01 0.253D+00 0.804D+00
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=2.11D-07 MaxDP=7.23D-06 DE=-4.63D-11 OVMax= 3.25D-06
Cycle 16 Pass 1 IDiag 1:
E= -113.288716855498 Delta-E= -0.000000000006 Rises=F Damp=F
DIIS: error= 4.66D-08 at cycle 16 NSaved= 16.
NSaved=16 IEnMin=16 EnMin= -113.288716855498 IErMin=16 ErrMin= 4.66D-08
ErrMax= 4.66D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-13 BMatP= 2.73D-12
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.596D-07-0.119D-06-0.425D-05-0.130D-04-0.520D-05 0.354D-04
Coeff-Com: 0.785D-04 0.158D-03-0.407D-03-0.385D-03 0.389D-02 0.320D-02
Coeff-Com: -0.358D-01-0.646D-01 0.811D-01 0.101D+01
Coeff: 0.596D-07-0.119D-06-0.425D-05-0.130D-04-0.520D-05 0.354D-04
Coeff: 0.785D-04 0.158D-03-0.407D-03-0.385D-03 0.389D-02 0.320D-02
Coeff: -0.358D-01-0.646D-01 0.811D-01 0.101D+01
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=5.39D-08 MaxDP=2.12D-06 DE=-5.80D-12 OVMax= 8.61D-07
Cycle 17 Pass 1 IDiag 1:
E= -113.288716855498 Delta-E= -0.000000000001 Rises=F Damp=F
DIIS: error= 9.90D-09 at cycle 17 NSaved= 17.
NSaved=17 IEnMin=17 EnMin= -113.288716855498 IErMin=17 ErrMin= 9.90D-09
ErrMax= 9.90D-09 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-14 BMatP= 2.43D-13
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.995D-07-0.183D-06-0.114D-05-0.370D-05-0.301D-05-0.824D-05
Coeff-Com: -0.122D-04 0.881D-04-0.515D-04-0.260D-03 0.516D-03 0.300D-02
Coeff-Com: -0.219D-02-0.239D-01-0.472D-01 0.130D+00 0.940D+00
Coeff: 0.995D-07-0.183D-06-0.114D-05-0.370D-05-0.301D-05-0.824D-05
Coeff: -0.122D-04 0.881D-04-0.515D-04-0.260D-03 0.516D-03 0.300D-02
Coeff: -0.219D-02-0.239D-01-0.472D-01 0.130D+00 0.940D+00
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=1.87D-08 MaxDP=7.60D-07 DE=-8.24D-13 OVMax= 2.35D-07
Cycle 18 Pass 1 IDiag 1:
E= -113.288716855498 Delta-E= 0.000000000000 Rises=F Damp=F
DIIS: error= 3.72D-09 at cycle 18 NSaved= 18.
NSaved=18 IEnMin=18 EnMin= -113.288716855498 IErMin=18 ErrMin= 3.72D-09
ErrMax= 3.72D-09 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-15 BMatP= 1.22D-14
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Large coefficients: NSaved= 18 BigCof= 0.00 CofMax= 10.00 Det=-4.94D-15
Inversion failed. Reducing to 17 matrices.
Large coefficients: NSaved= 17 BigCof= 0.00 CofMax= 10.00 Det=-4.94D-15
Inversion failed. Reducing to 16 matrices.
Large coefficients: NSaved= 16 BigCof= 0.00 CofMax= 10.00 Det=-4.94D-15
Inversion failed. Reducing to 15 matrices.
Coeff-Com: 0.172D-06-0.190D-05-0.513D-05-0.599D-05 0.284D-04-0.268D-05
Coeff-Com: -0.105D-03-0.123D-04 0.934D-03 0.130D-02-0.341D-02-0.186D-01
Coeff-Com: -0.485D-01 0.155D+00 0.913D+00
Coeff: 0.172D-06-0.190D-05-0.513D-05-0.599D-05 0.284D-04-0.268D-05
Coeff: -0.105D-03-0.123D-04 0.934D-03 0.130D-02-0.341D-02-0.186D-01
Coeff: -0.485D-01 0.155D+00 0.913D+00
Gap= 0.123 Goal= None Shift= 0.000
RMSDP=3.92D-09 MaxDP=1.36D-07 DE=-1.42D-13 OVMax= 4.47D-08
SCF Done: E(ROHF) = -113.288716855 A.U. after 18 cycles
NFock= 18 Conv=0.39D-08 -V/T= 2.0019
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7500 S= 0.5000
<L.S>= 0.000000000000E+00
KE= 1.130779659448D+02 PE=-3.200548135707D+02 EE= 6.719982834232D+01
Annihilation of the first spin contaminant:
S**2 before annihilation 0.7500, after 0.7500
Leave Link 502 at Fri Apr 5 07:25:40 2019, MaxMem= 13421772800 cpu: 50.1
(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>= 0.5000 <S**2>= 0.7500 S= 0.5000
ExpMin= 2.53D-02 ExpMax= 1.53D+04 ExpMxC= 5.22D+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 1.99D-04
Largest core mixing into a valence orbital is 2.91D-05
Largest valence mixing into a core orbital is 2.15D-04
Largest core mixing into a valence orbital is 3.25D-05
Range of M.O.s used for correlation: 3 115
NBasis= 115 NAE= 8 NBE= 7 NFC= 2 NFV= 0
NROrb= 113 NOA= 6 NOB= 5 NVA= 107 NVB= 108
**** Warning!!: The largest alpha MO coefficient is 0.20361318D+02
**** Warning!!: The largest beta MO coefficient is 0.19223065D+02
Singles contribution to E2= -0.3205941815D-02
Leave Link 801 at Fri Apr 5 07:25:41 2019, MaxMem= 13421772800 cpu: 10.9
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe)
Open-shell transformation, MDV= 13421772800 ITran=4 ISComp=2.
Semi-Direct transformation.
ModeAB= 2 MOrb= 6 LenV= 13421230952
LASXX= 2109430 LTotXX= 2109430 LenRXX= 2109430
LTotAB= 2180349 MaxLAS= 6224040 LenRXY= 6224040
NonZer= 6449814 LenScr= 10092544 LnRSAI= 0
LnScr1= 0 LExtra= 0 Total= 18426014
MaxDsk= -1 SrtSym= F ITran= 4
DoSDTr: NPSUse= 24
JobTyp=1 Pass 1: I= 1 to 6.
(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= 2 MOrb= 5 LenV= 13421230952
LASXX= 1764627 LTotXX= 1764627 LenRXX= 5186700
LTotAB= 1630896 MaxLAS= 5186700 LenRXY= 1630896
NonZer= 5374845 LenScr= 8650752 LnRSAI= 0
LnScr1= 0 LExtra= 0 Total= 15468348
MaxDsk= -1 SrtSym= F ITran= 4
DoSDTr: NPSUse= 24
JobTyp=2 Pass 1: I= 1 to 5.
(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 = 0.1366338376D-01 E2= -0.4924473516D-01
alpha-beta T2 = 0.7982642617D-01 E2= -0.2823205563D+00
beta-beta T2 = 0.1496110789D-01 E2= -0.4654261127D-01
ANorm= 0.1053846951D+01
E2 = -0.3813138445D+00 EUMP2 = -0.11367003069999D+03
(S**2,0)= 0.75000D+00 (S**2,1)= 0.75000D+00
E(PUHF)= -0.11328871686D+03 E(PMP2)= -0.11367003070D+03
Leave Link 804 at Fri Apr 5 07:25:46 2019, MaxMem= 13421772800 cpu: 138.0
(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=33806035.
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= 6670 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= 86
NAB= 30 NAA= 15 NBB= 10.
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
MP4(R+Q)= 0.53113261D-02
Maximum subspace dimension= 5
Norm of the A-vectors is 8.0337346D-02 conv= 1.00D-05.
RLE energy= -0.3730939188
E3= 0.29916214D-02 EROMP3= -0.11366703908D+03
E4(SDQ)= -0.92873998D-02 ROMP4(SDQ)= -0.11367632648D+03
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
DE(Corr)= -0.37290958 E(Corr)= -113.66162644
NORM(A)= 0.10507306D+01
Iteration Nr. 2
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 4.0522355D-01 conv= 1.00D-05.
RLE energy= -0.3723038360
DE(Corr)= -0.36943621 E(CORR)= -113.65815307 Delta= 3.47D-03
NORM(A)= 0.10504956D+01
Iteration Nr. 3
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 3.0938424D-01 conv= 1.00D-05.
RLE energy= -0.3778853377
DE(Corr)= -0.37293985 E(CORR)= -113.66165671 Delta=-3.50D-03
NORM(A)= 0.10535120D+01
Iteration Nr. 4
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 2.3032823D-01 conv= 1.00D-05.
RLE energy= -0.3884885044
DE(Corr)= -0.37596884 E(CORR)= -113.66468570 Delta=-3.03D-03
NORM(A)= 0.10699147D+01
Iteration Nr. 5
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 1.2383691D-01 conv= 1.00D-05.
RLE energy= -0.3854431622
DE(Corr)= -0.38997057 E(CORR)= -113.67868743 Delta=-1.40D-02
NORM(A)= 0.10643654D+01
Iteration Nr. 6
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 1.1167705D-02 conv= 1.00D-05.
RLE energy= -0.3856479868
DE(Corr)= -0.38525774 E(CORR)= -113.67397459 Delta= 4.71D-03
NORM(A)= 0.10653436D+01
Iteration Nr. 7
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 3.9779244D-03 conv= 1.00D-05.
RLE energy= -0.3856164999
DE(Corr)= -0.38562934 E(CORR)= -113.67434620 Delta=-3.72D-04
NORM(A)= 0.10654815D+01
Iteration Nr. 8
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 2.3453512D-03 conv= 1.00D-05.
RLE energy= -0.3856397466
DE(Corr)= -0.38565101 E(CORR)= -113.67436787 Delta=-2.17D-05
NORM(A)= 0.10654915D+01
Iteration Nr. 9
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 1.1366090D-03 conv= 1.00D-05.
RLE energy= -0.3856401497
DE(Corr)= -0.38562917 E(CORR)= -113.67434602 Delta= 2.18D-05
NORM(A)= 0.10655068D+01
Iteration Nr. 10
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 4.1191994D-04 conv= 1.00D-05.
RLE energy= -0.3856345812
DE(Corr)= -0.38563885 E(CORR)= -113.67435571 Delta=-9.69D-06
NORM(A)= 0.10654980D+01
Iteration Nr. 11
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 1.8329927D-04 conv= 1.00D-05.
RLE energy= -0.3856375069
DE(Corr)= -0.38563656 E(CORR)= -113.67435342 Delta= 2.29D-06
NORM(A)= 0.10655003D+01
Iteration Nr. 12
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 7.7315925D-05 conv= 1.00D-05.
RLE energy= -0.3856378523
DE(Corr)= -0.38563765 E(CORR)= -113.67435450 Delta=-1.09D-06
NORM(A)= 0.10655014D+01
Iteration Nr. 13
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 3.7875899D-05 conv= 1.00D-05.
RLE energy= -0.3856382068
DE(Corr)= -0.38563793 E(CORR)= -113.67435478 Delta=-2.81D-07
NORM(A)= 0.10655029D+01
Iteration Nr. 14
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 2.0591163D-05 conv= 1.00D-05.
RLE energy= -0.3856384060
DE(Corr)= -0.38563829 E(CORR)= -113.67435514 Delta=-3.57D-07
NORM(A)= 0.10655037D+01
Iteration Nr. 15
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 1.0291375D-05 conv= 1.00D-05.
RLE energy= -0.3856384696
DE(Corr)= -0.38563841 E(CORR)= -113.67435526 Delta=-1.23D-07
NORM(A)= 0.10655041D+01
Iteration Nr. 16
**********************
DD1Dir will call FoFMem 1 times, MxPair= 86
NAB= 30 NAA= 15 NBB= 10.
Norm of the A-vectors is 5.9251045D-06 conv= 1.00D-05.
RLE energy= -0.3856384442
DE(Corr)= -0.38563843 E(CORR)= -113.67435529 Delta=-2.58D-08
NORM(A)= 0.10655043D+01
CI/CC converged in 16 iterations to DelEn=-2.58D-08 Conv= 1.00D-07 ErrA1= 5.93D-06 Conv= 1.00D-05
Largest amplitude= 7.40D-02
Time for triples= 7264.95 seconds.
T4(CCSD)= -0.19808319D-01
T5(CCSD)= 0.17278290D-02
CCSD(T)= -0.11369243578D+03
Discarding MO integrals.
Leave Link 913 at Fri Apr 5 07:32:04 2019, MaxMem= 13421772800 cpu: 8733.4
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe)
Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1.
**********************************************************************
Population analysis using the SCF density.
**********************************************************************
Orbital symmetries:
Occupied (A') (A') (A') (A') (A') (A") (A') (A')
Virtual (A') (A") (A') (A') (A') (A") (A') (A') (A") (A')
(A') (A") (A') (A') (A") (A') (A') (A") (A') (A')
(A") (A') (A') (A') (A") (A') (A') (A") (A') (A")
(A') (A') (A") (A') (A') (A") (A") (A') (A") (A')
(A') (A') (A") (A') (A') (A") (A") (A') (A') (A')
(A") (A') (A') (A') (A") (A") (A') (A") (A') (A')
(A') (A") (A") (A') (A') (A') (A') (A") (A") (A')
(A') (A") (A') (A") (A') (A') (A") (A') (A") (A')
(A') (A') (A") (A') (A") (A') (A') (A") (A") (A')
(A') (A') (A') (A') (A") (A") (A') (A") (A") (A')
(A') (A') (A") (A') (A') (A') (A')
The electronic state is 2-A'.
Alpha occ. eigenvalues -- -20.61829 -11.36172 -1.46031 -0.85679 -0.70856
Alpha occ. eigenvalues -- -0.64582 -0.58242 -0.38191
Alpha virt. eigenvalues -- 0.02758 0.06175 0.07607 0.08082 0.12895
Alpha virt. eigenvalues -- 0.13255 0.17696 0.19274 0.20546 0.23501
Alpha virt. eigenvalues -- 0.25958 0.26555 0.31323 0.33134 0.34599
Alpha virt. eigenvalues -- 0.38139 0.41348 0.42158 0.44135 0.51994
Alpha virt. eigenvalues -- 0.52981 0.58858 0.64357 0.72698 0.76048
Alpha virt. eigenvalues -- 0.77475 0.82897 0.83866 0.86537 0.87376
Alpha virt. eigenvalues -- 0.92218 0.95833 0.96583 1.00518 1.02501
Alpha virt. eigenvalues -- 1.04020 1.07722 1.09413 1.18878 1.20646
Alpha virt. eigenvalues -- 1.25428 1.28848 1.30890 1.33963 1.40671
Alpha virt. eigenvalues -- 1.40894 1.49133 1.50889 1.56819 1.66460
Alpha virt. eigenvalues -- 1.84325 1.93031 1.99040 2.19827 2.21731
Alpha virt. eigenvalues -- 2.28067 2.28338 2.42353 2.42467 2.47179
Alpha virt. eigenvalues -- 2.54247 2.64673 2.68149 2.68814 2.75830
Alpha virt. eigenvalues -- 2.84053 3.00353 3.02277 3.24115 3.25233
Alpha virt. eigenvalues -- 3.36297 3.42850 3.47628 3.50407 3.52535
Alpha virt. eigenvalues -- 3.64070 3.73074 3.86466 3.97830 4.03139
Alpha virt. eigenvalues -- 4.09977 4.15400 4.21496 4.56586 4.58480
Alpha virt. eigenvalues -- 4.78778 4.96327 5.04564 5.16666 5.31243
Alpha virt. eigenvalues -- 5.41724 5.60931 6.23716 6.53576 6.53599
Alpha virt. eigenvalues -- 6.82831 6.85684 7.08189 7.11128 7.13155
Alpha virt. eigenvalues -- 7.25776 7.32293 7.48934 7.61159 7.65177
Alpha virt. eigenvalues -- 14.42637 14.92866
Molecular Orbital Coefficients:
1 2 3 4 5
O O O O O
Eigenvalues -- -20.61829 -11.36172 -1.46031 -0.85679 -0.70856
1 1 C 1S 0.00006 0.97903 -0.10285 -0.14121 -0.01264
2 2S 0.00089 -0.00743 0.23275 0.36714 0.02981
3 3S 0.00010 0.04135 0.05206 0.08535 0.01040
4 4S -0.00018 0.01355 0.09937 0.26701 -0.05935
5 5S 0.00040 0.00273 0.01058 0.01658 -0.00623
6 6PX -0.00003 -0.00066 -0.00283 -0.08526 0.10736
7 6PY -0.00029 -0.00091 -0.10912 0.04262 -0.18169
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00049 -0.00067 -0.02878 -0.12052 0.12794
10 7PY -0.00235 -0.00151 -0.08863 0.05954 -0.20809
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PX -0.00017 -0.00416 -0.01741 -0.06083 0.05417
13 8PY -0.00030 0.00204 0.01523 0.05268 -0.06502
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PX -0.00007 -0.00038 -0.00116 -0.00005 -0.00105
16 9PY -0.00007 0.00016 0.00270 0.00176 -0.00113
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 -0.00017 -0.00071 -0.01156 -0.00786 -0.00335
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
21 10D+2 -0.00034 -0.00068 -0.01780 0.00070 -0.01719
22 10D-2 0.00002 -0.00028 -0.00106 -0.00601 0.00069
23 11D 0 -0.00040 -0.00024 -0.01478 -0.01733 0.00041
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
26 11D+2 -0.00127 0.00006 -0.00868 0.00679 -0.01452
27 11D-2 0.00032 0.00039 -0.01269 -0.02422 0.00699
28 12D 0 0.00003 -0.00031 0.00330 -0.00538 0.00620
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
31 12D+2 0.00016 0.00046 0.00820 0.00064 0.00318
32 12D-2 0.00003 -0.00042 -0.00275 -0.01548 0.01481
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 -0.00004 0.00014 0.00160 0.00210 -0.00078
35 13F-1 0.00003 0.00016 0.00258 0.00050 0.00349
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 -0.00003 0.00009 0.00083 0.00227 -0.00334
39 13F-3 -0.00004 0.00065 0.00821 0.00586 0.00421
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 -0.00004 0.00004 0.00130 0.00255 -0.00063
42 14F-1 0.00030 -0.00017 -0.00253 -0.00315 -0.00106
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00014 0.00021 -0.00138 -0.00144 -0.00180
46 14F-3 0.00047 -0.00034 0.00041 0.00430 -0.00701
47 2 O 1S 0.97666 -0.00042 -0.18997 0.08651 0.05297
48 2S -0.00974 0.00069 0.45723 -0.22656 -0.14282
49 3S 0.04354 0.00026 0.12339 -0.06651 -0.04359
50 4S 0.00187 -0.00218 0.22901 -0.24570 -0.21185
51 5S -0.00071 -0.00221 -0.00569 -0.02629 -0.05025
52 6PX 0.00002 0.00001 -0.00295 -0.04032 0.09165
53 6PY 0.00188 0.00047 0.08233 0.14888 0.25303
54 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
55 7PX -0.00002 0.00012 -0.00397 -0.05161 0.11729
56 7PY -0.00207 -0.00024 0.10520 0.17772 0.30796
57 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
58 8PX 0.00031 0.00111 -0.00660 -0.03284 0.07542
59 8PY 0.00017 -0.00230 0.00326 0.07904 0.15249
60 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
61 9PX 0.00006 0.00000 -0.00170 -0.00363 0.00692
62 9PY -0.00008 -0.00060 -0.00858 0.00076 -0.00056
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
64 10D 0 -0.00017 -0.00004 -0.00432 -0.00264 -0.00502
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 -0.00016 -0.00009 -0.00726 -0.00494 -0.00920
68 10D-2 -0.00001 -0.00003 -0.00028 -0.00246 0.00400
69 11D 0 0.00025 0.00035 -0.00995 -0.00432 -0.01002
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00060 0.00061 -0.01782 -0.00837 -0.01979
73 11D-2 -0.00002 0.00016 -0.00014 -0.00622 0.01067
74 12D 0 -0.00010 0.00045 0.00494 0.00085 0.00039
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 -0.00012 0.00064 0.00869 -0.00016 -0.00094
78 12D-2 0.00015 0.00049 -0.00264 -0.00445 0.00279
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00003 0.00036 -0.00046
81 13F-1 0.00004 -0.00010 -0.00247 -0.00098 -0.00188
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00001 0.00002 0.00001 0.00143 -0.00252
85 13F-3 0.00001 -0.00012 -0.00347 -0.00157 -0.00333
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00001 -0.00003 -0.00043 -0.00060 0.00016
88 14F-1 0.00005 0.00032 -0.00097 -0.00004 -0.00200
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 -0.00014 -0.00043 0.00035 -0.00112
92 14F-3 0.00012 0.00045 -0.00224 -0.00048 -0.00338
93 3 H 1S 0.00002 0.00031 0.01304 0.12871 -0.10559
94 2S 0.00080 -0.00068 -0.03121 0.13794 -0.15147
95 3S 0.00030 -0.00954 -0.05266 -0.05025 -0.00976
96 4S -0.00005 -0.00069 -0.00406 -0.00372 0.00113
97 5PX 0.00005 -0.00019 -0.00020 0.01000 -0.00916
98 5PY -0.00004 0.00015 -0.00055 -0.00707 0.00583
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00036 -0.00037 -0.01915 -0.00079 -0.01025
101 6PY -0.00041 0.00019 0.01274 0.00174 0.00683
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00027 -0.00214 -0.01474 -0.02412 0.00536
104 7PY -0.00001 0.00153 0.01279 0.00951 0.00317
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00015 0.00082 -0.00138 0.00141
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00002 -0.00011 -0.00119 0.00049 -0.00123
110 8D-2 -0.00005 0.00029 0.00173 -0.00218 0.00332
111 9D 0 -0.00015 0.00007 0.00409 0.00286 0.00159
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00004 -0.00101 -0.00028 0.00109
115 9D-2 0.00000 -0.00001 0.00540 0.00203 -0.00036
6 7 8 9 10
O O O V V
Eigenvalues -- -0.64582 -0.58242 -0.38191 0.02758 0.06175
1 1 C 1S 0.00000 -0.04576 -0.07849 -0.01719 0.00000
2 2S 0.00000 0.12483 0.22683 0.05601 0.00000
3 3S 0.00000 0.02907 0.05962 0.00433 0.00000
4 4S 0.00000 0.17687 0.28444 2.11118 0.00000
5 5S 0.00000 0.00387 0.02908 3.85219 0.00000
6 6PX 0.00000 0.10088 0.23009 -0.01488 0.00000
7 6PY 0.00000 0.10806 0.12132 0.02610 0.00000
8 6PZ 0.16562 0.00000 0.00000 0.00000 0.07155
9 7PX 0.00000 0.12573 0.33625 -0.09589 0.00000
10 7PY 0.00000 0.12136 0.15923 0.01037 0.00000
11 7PZ 0.21526 0.00000 0.00000 0.00000 0.12008
12 8PX 0.00000 -0.00712 0.21189 -0.88910 0.00000
13 8PY 0.00000 0.06841 0.08723 0.24323 0.00000
14 8PZ 0.09595 0.00000 0.00000 0.00000 0.21392
15 9PX 0.00000 -0.00674 0.02661 -0.74405 0.00000
16 9PY 0.00000 0.00118 0.00099 0.21710 0.00000
17 9PZ -0.00002 0.00000 0.00000 0.00000 1.41506
18 10D 0 0.00000 0.00177 0.00601 -0.00077 0.00000
19 10D+1 -0.00136 0.00000 0.00000 0.00000 -0.00101
20 10D-1 -0.02388 0.00000 0.00000 0.00000 0.00870
21 10D+2 0.00000 0.00626 0.00430 0.00036 0.00000
22 10D-2 0.00000 -0.02453 0.02606 -0.00172 0.00000
23 11D 0 0.00000 -0.00092 0.00927 -0.06709 0.00000
24 11D+1 -0.00259 0.00000 0.00000 0.00000 -0.00638
25 11D-1 -0.03671 0.00000 0.00000 0.00000 0.04204
26 11D+2 0.00000 0.00635 -0.00147 -0.01572 0.00000
27 11D-2 0.00000 -0.03691 0.07679 -0.05977 0.00000
28 12D 0 0.00000 -0.00288 0.00090 -0.17015 0.00000
29 12D+1 -0.00417 0.00000 0.00000 0.00000 -0.09428
30 12D-1 0.00124 0.00000 0.00000 0.00000 -0.05028
31 12D+2 0.00000 0.01023 -0.00863 0.02780 0.00000
32 12D-2 0.00000 -0.00439 0.04519 -0.16902 0.00000
33 13F 0 -0.00474 0.00000 0.00000 0.00000 0.00408
34 13F+1 0.00000 -0.00112 -0.00088 0.00133 0.00000
35 13F-1 0.00000 -0.00100 -0.00060 0.00027 0.00000
36 13F+2 -0.00687 0.00000 0.00000 0.00000 0.00284
37 13F-2 -0.00037 0.00000 0.00000 0.00000 -0.00045
38 13F+3 0.00000 -0.00778 0.00377 0.00019 0.00000
39 13F-3 0.00000 -0.00098 -0.00204 0.00545 0.00000
40 14F 0 -0.00205 0.00000 0.00000 0.00000 0.00089
41 14F+1 0.00000 0.00065 0.00135 0.02354 0.00000
42 14F-1 0.00000 0.00028 0.00091 -0.00910 0.00000
43 14F+2 -0.00453 0.00000 0.00000 0.00000 0.01477
44 14F-2 0.00074 0.00000 0.00000 0.00000 0.00911
45 14F+3 0.00000 -0.00498 0.01116 0.02034 0.00000
46 14F-3 0.00000 0.00529 0.00187 0.03725 0.00000
47 2 O 1S 0.00000 -0.00178 0.01309 -0.00368 0.00000
48 2S 0.00000 0.00563 -0.03700 0.01121 0.00000
49 3S 0.00000 0.00233 -0.01108 0.00442 0.00000
50 4S 0.00000 0.02193 -0.02542 -0.22919 0.00000
51 5S 0.00000 0.02696 0.02200 -1.12861 0.00000
52 6PX 0.00000 0.29809 -0.17884 0.00644 0.00000
53 6PY 0.00000 -0.07942 -0.04866 -0.01125 0.00000
54 6PZ 0.29046 0.00000 0.00000 0.00000 -0.10278
55 7PX 0.00000 0.37896 -0.22735 0.00626 0.00000
56 7PY 0.00000 -0.09826 -0.06048 -0.02617 0.00000
57 7PZ 0.37540 0.00000 0.00000 0.00000 -0.13299
58 8PX 0.00000 0.26935 -0.18558 0.07092 0.00000
59 8PY 0.00000 -0.06271 -0.02973 -0.19832 0.00000
60 8PZ 0.25757 0.00000 0.00000 0.00000 -0.11441
61 9PX 0.00000 0.02717 -0.04791 0.08884 0.00000
62 9PY 0.00000 0.00078 0.00446 -0.31874 0.00000
63 9PZ 0.02122 0.00000 0.00000 0.00000 -0.71348
64 10D 0 0.00000 0.00157 0.00131 0.00028 0.00000
65 10D+1 -0.00003 0.00000 0.00000 0.00000 0.00021
66 10D-1 0.01086 0.00000 0.00000 0.00000 -0.00040
67 10D+2 0.00000 0.00279 0.00137 -0.00034 0.00000
68 10D-2 0.00000 0.00832 0.00214 -0.00029 0.00000
69 11D 0 0.00000 0.00419 0.00265 0.00085 0.00000
70 11D+1 -0.00066 0.00000 0.00000 0.00000 -0.00223
71 11D-1 0.03093 0.00000 0.00000 0.00000 0.01126
72 11D+2 0.00000 0.00700 0.00233 0.00800 0.00000
73 11D-2 0.00000 0.02216 0.00661 -0.00230 0.00000
74 12D 0 0.00000 0.00280 -0.00352 0.02320 0.00000
75 12D+1 -0.00018 0.00000 0.00000 0.00000 0.02291
76 12D-1 0.01271 0.00000 0.00000 0.00000 -0.01815
77 12D+2 0.00000 0.00215 -0.00392 0.03142 0.00000
78 12D-2 0.00000 0.01048 0.01187 0.03928 0.00000
79 13F 0 -0.00297 0.00000 0.00000 0.00000 -0.00032
80 13F+1 0.00000 -0.00048 -0.00046 0.00047 0.00000
81 13F-1 0.00000 0.00061 0.00070 0.00025 0.00000
82 13F+2 -0.00498 0.00000 0.00000 0.00000 -0.00011
83 13F-2 0.00002 0.00000 0.00000 0.00000 -0.00068
84 13F+3 0.00000 -0.00475 -0.00111 0.00055 0.00000
85 13F-3 0.00000 0.00124 0.00036 0.00037 0.00000
86 14F 0 -0.00167 0.00000 0.00000 0.00000 -0.00028
87 14F+1 0.00000 -0.00027 -0.00004 -0.00288 0.00000
88 14F-1 0.00000 0.00158 0.00004 0.00086 0.00000
89 14F+2 -0.00347 0.00000 0.00000 0.00000 -0.00056
90 14F-2 -0.00017 0.00000 0.00000 0.00000 0.00348
91 14F+3 0.00000 -0.00334 -0.00111 -0.00317 0.00000
92 14F-3 0.00000 0.00153 0.00050 0.00260 0.00000
93 3 H 1S 0.00000 0.04402 -0.09963 0.01291 0.00000
94 2S 0.00000 0.06045 -0.16647 -0.25880 0.00000
95 3S 0.00000 -0.03155 -0.12102 -2.37525 0.00000
96 4S 0.00000 -0.00022 -0.00124 -3.07406 0.00000
97 5PX 0.00000 0.00422 -0.00061 0.00404 0.00000
98 5PY 0.00000 0.00110 0.00543 -0.00217 0.00000
99 5PZ 0.00260 0.00000 0.00000 0.00000 0.00270
100 6PX 0.00000 0.01106 0.02028 -0.08601 0.00000
101 6PY 0.00000 0.00334 -0.00030 0.04661 0.00000
102 6PZ 0.00903 0.00000 0.00000 0.00000 0.02361
103 7PX 0.00000 -0.00985 0.01214 -0.49144 0.00000
104 7PY 0.00000 0.01785 -0.00239 0.31412 0.00000
105 7PZ -0.00482 0.00000 0.00000 0.00000 -0.12567
106 8D 0 0.00000 0.00005 0.00001 0.00211 0.00000
107 8D+1 0.00094 0.00000 0.00000 0.00000 0.00084
108 8D-1 -0.00113 0.00000 0.00000 0.00000 -0.00160
109 8D+2 0.00000 0.00279 0.00171 -0.00129 0.00000
110 8D-2 0.00000 0.00068 0.00068 0.00318 0.00000
111 9D 0 0.00000 -0.00391 -0.00328 0.00431 0.00000
112 9D+1 -0.00028 0.00000 0.00000 0.00000 -0.00110
113 9D-1 -0.00079 0.00000 0.00000 0.00000 0.02468
114 9D+2 0.00000 0.00017 0.00380 -0.01491 0.00000
115 9D-2 0.00000 -0.00219 -0.00410 0.00389 0.00000
11 12 13 14 15
V V V V V
Eigenvalues -- 0.07607 0.08082 0.12895 0.13255 0.17696
1 1 C 1S 0.00458 0.01081 0.04029 0.00000 -0.00757
2 2S -0.03966 -0.03890 -0.09790 0.00000 0.07903
3 3S -0.00695 -0.02765 -0.05648 0.00000 0.04999
4 4S -0.49764 0.57500 5.71423 0.00000 -0.82581
5 5S -1.92640 0.30121 10.02552 0.00000 1.63060
6 6PX 0.00589 -0.05777 0.03927 0.00000 -0.01528
7 6PY -0.00584 -0.01521 -0.04748 0.00000 0.00010
8 6PZ 0.00000 0.00000 0.00000 -0.21390 0.00000
9 7PX -0.04610 -0.07563 -0.11250 0.00000 0.15704
10 7PY 0.16927 -0.00509 -0.16792 0.00000 -0.31714
11 7PZ 0.00000 0.00000 0.00000 -0.31354 0.00000
12 8PX -0.70835 0.31339 -2.10288 0.00000 1.29899
13 8PY 1.59147 -0.32885 0.44048 0.00000 -2.35471
14 8PZ 0.00000 0.00000 0.00000 -0.48642 0.00000
15 9PX -0.13054 1.90886 -1.50181 0.00000 -0.56514
16 9PY 1.96613 0.00041 0.88201 0.00000 0.71454
17 9PZ 0.00000 0.00000 0.00000 0.81774 0.00000
18 10D 0 -0.00046 0.00230 0.00064 0.00000 0.00066
19 10D+1 0.00000 0.00000 0.00000 0.00315 0.00000
20 10D-1 0.00000 0.00000 0.00000 -0.01602 0.00000
21 10D+2 0.00013 0.00372 -0.00346 0.00000 -0.01161
22 10D-2 -0.00123 0.00042 0.00041 0.00000 0.00570
23 11D 0 0.01685 -0.06185 -0.19783 0.00000 0.03172
24 11D+1 0.00000 0.00000 0.00000 -0.02044 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.06735 0.00000
26 11D+2 0.10385 -0.06663 -0.05488 0.00000 -0.10578
27 11D-2 -0.03247 -0.10114 -0.21512 0.00000 0.14078
28 12D 0 0.08842 0.00560 -0.46531 0.00000 0.18582
29 12D+1 0.00000 0.00000 0.00000 -0.24733 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.04519 0.00000
31 12D+2 0.41764 -0.44340 0.00582 0.00000 0.19527
32 12D-2 -0.18941 -0.32970 -0.76791 0.00000 0.36284
33 13F 0 0.00000 0.00000 0.00000 0.00439 0.00000
34 13F+1 0.00193 0.00397 0.00385 0.00000 -0.00694
35 13F-1 -0.00375 0.00024 0.00233 0.00000 0.00825
36 13F+2 0.00000 0.00000 0.00000 -0.00039 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00102 0.00000
38 13F+3 0.00083 -0.00164 -0.00186 0.00000 -0.00004
39 13F-3 -0.00143 0.00248 0.01408 0.00000 -0.00618
40 14F 0 0.00000 0.00000 0.00000 -0.00411 0.00000
41 14F+1 0.01638 -0.01209 0.05680 0.00000 -0.02867
42 14F-1 -0.03580 0.00210 -0.03113 0.00000 0.04766
43 14F+2 0.00000 0.00000 0.00000 0.03876 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00224 0.00000
45 14F+3 0.01648 -0.00095 0.03388 0.00000 -0.07508
46 14F-3 -0.00084 0.06717 0.11792 0.00000 -0.02021
47 2 O 1S -0.02183 0.00022 0.00774 0.00000 0.00709
48 2S 0.04973 -0.00802 -0.01691 0.00000 0.02454
49 3S 0.01243 -0.00323 -0.00254 0.00000 0.00571
50 4S 0.85647 -0.41956 -0.83035 0.00000 -0.68082
51 5S 4.03573 -1.03699 -4.08818 0.00000 -3.88746
52 6PX -0.00541 -0.00166 0.00179 0.00000 0.00000
53 6PY -0.01019 0.00850 0.02303 0.00000 0.03794
54 6PZ 0.00000 0.00000 0.00000 0.13437 0.00000
55 7PX -0.00835 0.00125 -0.00309 0.00000 -0.00532
56 7PY 0.02193 -0.01391 -0.01056 0.00000 0.01666
57 7PZ 0.00000 0.00000 0.00000 0.18105 0.00000
58 8PX 0.05057 -0.17376 -0.00065 0.00000 -0.06782
59 8PY 0.39110 -0.04879 -0.60256 0.00000 -0.47888
60 8PZ 0.00000 0.00000 0.00000 0.38685 0.00000
61 9PX -0.02223 -0.85984 -0.25403 0.00000 0.47013
62 9PY 0.37599 -0.28300 -1.17042 0.00000 -3.09703
63 9PZ 0.00000 0.00000 0.00000 0.19341 0.00000
64 10D 0 0.00141 0.00011 0.00088 0.00000 -0.00091
65 10D+1 0.00000 0.00000 0.00000 0.00089 0.00000
66 10D-1 0.00000 0.00000 0.00000 -0.00677 0.00000
67 10D+2 0.00160 0.00064 -0.00123 0.00000 -0.00183
68 10D-2 0.00011 -0.00129 0.00184 0.00000 0.00029
69 11D 0 -0.01947 -0.00005 0.00557 0.00000 0.00044
70 11D+1 0.00000 0.00000 0.00000 -0.00506 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00082 0.00000
72 11D+2 -0.02615 -0.00151 0.02915 0.00000 -0.00284
73 11D-2 0.00008 -0.01171 -0.00648 0.00000 -0.00629
74 12D 0 0.00973 -0.04149 0.08609 0.00000 0.13346
75 12D+1 0.00000 0.00000 0.00000 0.03914 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.08094 0.00000
77 12D+2 0.00743 0.00980 0.12705 0.00000 0.17925
78 12D-2 0.04756 -0.09830 0.02544 0.00000 -0.00867
79 13F 0 0.00000 0.00000 0.00000 0.00236 0.00000
80 13F+1 0.00048 0.00031 0.00083 0.00000 -0.00022
81 13F-1 -0.00170 0.00071 0.00072 0.00000 -0.00109
82 13F+2 0.00000 0.00000 0.00000 0.00288 0.00000
83 13F-2 0.00000 0.00000 0.00000 -0.00060 0.00000
84 13F+3 0.00085 -0.00014 -0.00055 0.00000 0.00072
85 13F-3 -0.00216 -0.00068 0.00051 0.00000 -0.00095
86 14F 0 0.00000 0.00000 0.00000 -0.00931 0.00000
87 14F+1 -0.00329 0.00204 -0.00543 0.00000 0.00195
88 14F-1 -0.00043 -0.00803 0.00474 0.00000 0.01642
89 14F+2 0.00000 0.00000 0.00000 -0.01430 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00457 0.00000
91 14F+3 -0.00614 0.01278 0.00261 0.00000 -0.00146
92 14F-3 0.00093 0.00097 0.01128 0.00000 0.01186
93 3 H 1S 0.00734 0.01546 -0.00276 0.00000 -0.01560
94 2S -0.22404 -0.17699 -0.80592 0.00000 0.52733
95 3S -1.80710 0.55114 -6.68513 0.00000 4.66224
96 4S -0.29874 0.32805 -4.29369 0.00000 -0.60602
97 5PX -0.00059 -0.00215 -0.00254 0.00000 -0.00166
98 5PY 0.00363 0.00131 0.00296 0.00000 -0.00401
99 5PZ 0.00000 0.00000 0.00000 -0.01148 0.00000
100 6PX -0.06321 -0.03596 -0.27768 0.00000 0.27366
101 6PY 0.04239 -0.00598 0.15173 0.00000 -0.06640
102 6PZ 0.00000 0.00000 0.00000 -0.02812 0.00000
103 7PX -0.32601 -0.36473 -1.42338 0.00000 1.77327
104 7PY 0.21607 -0.44021 0.63056 0.00000 -0.46304
105 7PZ 0.00000 0.00000 0.00000 -0.67080 0.00000
106 8D 0 0.00489 -0.00068 0.00752 0.00000 -0.00626
107 8D+1 0.00000 0.00000 0.00000 -0.00191 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00016 0.00000
109 8D+2 -0.00033 -0.00147 -0.00413 0.00000 0.00483
110 8D-2 0.00425 -0.00006 0.01164 0.00000 -0.01413
111 9D 0 -0.01626 -0.00508 -0.00984 0.00000 -0.07715
112 9D+1 0.00000 0.00000 0.00000 -0.04591 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.05638 0.00000
114 9D+2 -0.01814 -0.05816 -0.05131 0.00000 0.10647
115 9D-2 0.00108 0.00999 -0.01036 0.00000 -0.03271
16 17 18 19 20
V V V V V
Eigenvalues -- 0.19274 0.20546 0.23501 0.25958 0.26555
1 1 C 1S 0.01763 0.00000 0.01346 -0.01551 0.00000
2 2S -0.04313 0.00000 -0.00674 0.05014 0.00000
3 3S -0.01634 0.00000 -0.00690 0.04569 0.00000
4 4S 1.14762 0.00000 3.19962 -0.06255 0.00000
5 5S 0.66078 0.00000 -1.20427 -2.46014 0.00000
6 6PX 0.02015 0.00000 0.11716 0.00241 0.00000
7 6PY -0.01645 0.00000 -0.01570 -0.02406 0.00000
8 6PZ 0.00000 0.04247 0.00000 0.00000 -0.06580
9 7PX -0.16867 0.00000 0.05687 -0.01352 0.00000
10 7PY -0.03873 0.00000 0.04665 0.17602 0.00000
11 7PZ 0.00000 -0.06860 0.00000 0.00000 -0.17884
12 8PX -1.87447 0.00000 0.61903 -1.41857 0.00000
13 8PY -0.52330 0.00000 -0.18936 3.89857 0.00000
14 8PZ 0.00000 -0.82103 0.00000 0.00000 -1.54250
15 9PX -1.36942 0.00000 1.37027 -0.29190 0.00000
16 9PY -0.40900 0.00000 -0.65259 2.14304 0.00000
17 9PZ 0.00000 -1.57780 0.00000 0.00000 -0.45439
18 10D 0 -0.00025 0.00000 -0.01728 0.00543 0.00000
19 10D+1 0.00000 -0.00018 0.00000 0.00000 -0.03239
20 10D-1 0.00000 0.00659 0.00000 0.00000 0.00140
21 10D+2 -0.00116 0.00000 0.00789 0.02586 0.00000
22 10D-2 -0.00011 0.00000 -0.00050 0.00284 0.00000
23 11D 0 -0.02389 0.00000 -0.06704 0.12119 0.00000
24 11D+1 0.00000 -0.01377 0.00000 0.00000 0.17478
25 11D-1 0.00000 0.23524 0.00000 0.00000 -0.08356
26 11D+2 -0.02525 0.00000 -0.07296 0.18142 0.00000
27 11D-2 0.31571 0.00000 -0.21403 0.00447 0.00000
28 12D 0 0.09233 0.00000 -0.31076 0.33034 0.00000
29 12D+1 0.00000 -0.14136 0.00000 0.00000 -0.06896
30 12D-1 0.00000 0.94391 0.00000 0.00000 -0.47032
31 12D+2 0.25013 0.00000 -0.28208 1.22794 0.00000
32 12D-2 1.26990 0.00000 0.01278 -0.26564 0.00000
33 13F 0 0.00000 0.00198 0.00000 0.00000 -0.00422
34 13F+1 0.00118 0.00000 0.00565 -0.00044 0.00000
35 13F-1 -0.00018 0.00000 -0.00427 -0.00491 0.00000
36 13F+2 0.00000 0.00330 0.00000 0.00000 -0.00498
37 13F-2 0.00000 0.00104 0.00000 0.00000 -0.00578
38 13F+3 0.01189 0.00000 -0.00011 -0.00241 0.00000
39 13F-3 0.00472 0.00000 0.01318 -0.00596 0.00000
40 14F 0 0.00000 0.05718 0.00000 0.00000 0.07905
41 14F+1 0.03984 0.00000 -0.00886 0.03000 0.00000
42 14F-1 0.02100 0.00000 0.02198 -0.11858 0.00000
43 14F+2 0.00000 0.08880 0.00000 0.00000 0.00417
44 14F-2 0.00000 -0.03526 0.00000 0.00000 0.13092
45 14F+3 0.13233 0.00000 -0.04461 0.10647 0.00000
46 14F-3 -0.02638 0.00000 0.02615 -0.08094 0.00000
47 2 O 1S -0.00252 0.00000 -0.01289 0.04423 0.00000
48 2S 0.00711 0.00000 0.04384 -0.13415 0.00000
49 3S 0.00307 0.00000 0.01191 -0.04772 0.00000
50 4S -0.18021 0.00000 -0.45109 1.60230 0.00000
51 5S -0.04244 0.00000 -0.71915 6.78592 0.00000
52 6PX -0.07384 0.00000 -0.02339 -0.00450 0.00000
53 6PY 0.00784 0.00000 0.01596 -0.00918 0.00000
54 6PZ 0.00000 -0.10948 0.00000 0.00000 0.02848
55 7PX -0.08679 0.00000 -0.04350 -0.00236 0.00000
56 7PY -0.00283 0.00000 -0.00139 0.05978 0.00000
57 7PZ 0.00000 -0.12039 0.00000 0.00000 0.03996
58 8PX 0.75356 0.00000 -0.35280 0.26337 0.00000
59 8PY -0.06039 0.00000 -0.09065 0.56640 0.00000
60 8PZ 0.00000 0.36151 0.00000 0.00000 0.11396
61 9PX 2.73346 0.00000 -1.14889 0.36170 0.00000
62 9PY 0.28128 0.00000 -0.04241 -0.37422 0.00000
63 9PZ 0.00000 2.94899 0.00000 0.00000 0.13742
64 10D 0 -0.00105 0.00000 -0.00127 0.00286 0.00000
65 10D+1 0.00000 0.00060 0.00000 0.00000 -0.00222
66 10D-1 0.00000 -0.00057 0.00000 0.00000 -0.00192
67 10D+2 0.00049 0.00000 0.00088 0.00317 0.00000
68 10D-2 -0.00354 0.00000 0.00486 -0.00020 0.00000
69 11D 0 0.01204 0.00000 -0.01021 -0.04428 0.00000
70 11D+1 0.00000 -0.00549 0.00000 0.00000 -0.01003
71 11D-1 0.00000 -0.00494 0.00000 0.00000 -0.01160
72 11D+2 0.00192 0.00000 -0.00403 -0.04494 0.00000
73 11D-2 0.02342 0.00000 -0.00024 -0.00239 0.00000
74 12D 0 -0.03661 0.00000 -0.01325 0.13505 0.00000
75 12D+1 0.00000 -0.00249 0.00000 0.00000 0.06401
76 12D-1 0.00000 0.44445 0.00000 0.00000 0.03470
77 12D+2 -0.02284 0.00000 0.00397 0.18012 0.00000
78 12D-2 0.50616 0.00000 -0.21210 0.19106 0.00000
79 13F 0 0.00000 0.00421 0.00000 0.00000 0.00123
80 13F+1 0.00123 0.00000 -0.00078 0.00138 0.00000
81 13F-1 0.00093 0.00000 -0.00049 -0.00419 0.00000
82 13F+2 0.00000 0.00613 0.00000 0.00000 0.00085
83 13F-2 0.00000 0.00077 0.00000 0.00000 -0.00372
84 13F+3 0.00703 0.00000 -0.00524 0.00287 0.00000
85 13F-3 0.00130 0.00000 0.00102 -0.00501 0.00000
86 14F 0 0.00000 -0.03159 0.00000 0.00000 -0.00135
87 14F+1 -0.01530 0.00000 0.00425 -0.00723 0.00000
88 14F-1 -0.00348 0.00000 -0.00769 0.00822 0.00000
89 14F+2 0.00000 -0.04271 0.00000 0.00000 0.00482
90 14F-2 0.00000 -0.00539 0.00000 0.00000 0.01106
91 14F+3 -0.06634 0.00000 0.02567 -0.01650 0.00000
92 14F-3 -0.00702 0.00000 -0.00461 0.01701 0.00000
93 3 H 1S 0.00758 0.00000 0.05170 0.01084 0.00000
94 2S 0.04701 0.00000 -0.26682 -0.28694 0.00000
95 3S -0.74207 0.00000 -0.44539 -3.86544 0.00000
96 4S -0.60437 0.00000 0.49009 -0.40843 0.00000
97 5PX -0.00508 0.00000 -0.01125 -0.00349 0.00000
98 5PY -0.00007 0.00000 0.00824 -0.00037 0.00000
99 5PZ 0.00000 0.00368 0.00000 0.00000 0.00390
100 6PX 0.00427 0.00000 -0.14195 -0.07784 0.00000
101 6PY 0.01471 0.00000 0.08198 -0.08130 0.00000
102 6PZ 0.00000 -0.02758 0.00000 0.00000 0.15781
103 7PX -0.44413 0.00000 -1.75161 -1.33625 0.00000
104 7PY 1.46285 0.00000 0.92960 -0.11635 0.00000
105 7PZ 0.00000 -0.35356 0.00000 0.00000 2.08053
106 8D 0 0.00237 0.00000 -0.00337 0.00564 0.00000
107 8D+1 0.00000 0.00257 0.00000 0.00000 -0.00204
108 8D-1 0.00000 0.00328 0.00000 0.00000 -0.00340
109 8D+2 -0.00329 0.00000 -0.00368 0.00263 0.00000
110 8D-2 -0.00165 0.00000 0.00383 -0.00010 0.00000
111 9D 0 0.05296 0.00000 0.11773 -0.03242 0.00000
112 9D+1 0.00000 -0.06177 0.00000 0.00000 0.26955
113 9D-1 0.00000 -0.00783 0.00000 0.00000 -0.11246
114 9D+2 0.04669 0.00000 -0.07970 -0.14763 0.00000
115 9D-2 0.06381 0.00000 0.13296 -0.06669 0.00000
21 22 23 24 25
V V V V V
Eigenvalues -- 0.31323 0.33134 0.34599 0.38139 0.41348
1 1 C 1S 0.00797 0.00031 0.00000 0.05826 0.04220
2 2S -0.03331 0.08584 0.00000 -0.27243 0.05196
3 3S -0.00218 0.04695 0.00000 -0.03059 0.10136
4 4S -1.06464 -1.18554 0.00000 -16.71758 -3.04062
5 5S -5.77030 -1.16441 0.00000 -9.80847 1.15748
6 6PX 0.04003 0.06447 0.00000 0.05375 0.00826
7 6PY -0.03248 0.01199 0.00000 -0.07874 -0.01615
8 6PZ 0.00000 0.00000 -0.11035 0.00000 0.00000
9 7PX -0.12884 0.30653 0.00000 0.52833 0.59725
10 7PY 0.42369 -0.05762 0.00000 -0.01219 -0.83708
11 7PZ 0.00000 0.00000 -0.31086 0.00000 0.00000
12 8PX -0.55722 3.29035 0.00000 5.50331 1.80269
13 8PY 0.99489 -1.17928 0.00000 -2.89305 -2.22213
14 8PZ 0.00000 0.00000 -2.56302 0.00000 0.00000
15 9PX 1.39140 1.19382 0.00000 1.06541 -0.44706
16 9PY -0.11693 -0.05086 0.00000 -0.71982 0.30773
17 9PZ 0.00000 0.00000 -1.04943 0.00000 0.00000
18 10D 0 0.01909 0.02297 0.00000 -0.00187 0.00292
19 10D+1 0.00000 0.00000 0.01177 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00705 0.00000 0.00000
21 10D+2 0.00143 0.00749 0.00000 0.00358 -0.01437
22 10D-2 -0.01044 0.00388 0.00000 0.00159 0.01227
23 11D 0 0.02563 0.07386 0.00000 0.42050 0.14675
24 11D+1 0.00000 0.00000 0.12620 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.05253 0.00000 0.00000
26 11D+2 0.48002 -0.30706 0.00000 0.00069 0.02536
27 11D-2 -0.16770 0.14603 0.00000 0.61578 0.21136
28 12D 0 0.93693 1.18742 0.00000 0.56705 0.52763
29 12D+1 0.00000 0.00000 1.98011 0.00000 0.00000
30 12D-1 0.00000 0.00000 -0.13747 0.00000 0.00000
31 12D+2 1.14513 -1.85927 0.00000 -0.46188 2.16094
32 12D-2 -0.18159 0.23369 0.00000 1.75229 -0.33683
33 13F 0 0.00000 0.00000 -0.01537 0.00000 0.00000
34 13F+1 0.01350 0.00376 0.00000 -0.01446 -0.02057
35 13F-1 -0.01887 0.00817 0.00000 -0.00022 0.02202
36 13F+2 0.00000 0.00000 0.00367 0.00000 0.00000
37 13F-2 0.00000 0.00000 -0.00161 0.00000 0.00000
38 13F+3 0.01032 -0.00726 0.00000 0.00138 -0.00658
39 13F-3 -0.01068 -0.00739 0.00000 -0.03542 -0.01715
40 14F 0 0.00000 0.00000 0.15517 0.00000 0.00000
41 14F+1 -0.03712 -0.13722 0.00000 -0.09404 -0.01007
42 14F-1 0.01706 0.01180 0.00000 0.09546 -0.05851
43 14F+2 0.00000 0.00000 -0.04528 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.06329 0.00000 0.00000
45 14F+3 -0.28454 0.11239 0.00000 0.00531 -0.19336
46 14F-3 0.02023 -0.07171 0.00000 -0.19827 -0.15714
47 2 O 1S 0.01782 -0.00774 0.00000 0.01231 -0.01870
48 2S -0.07106 0.01413 0.00000 -0.03856 0.08627
49 3S -0.02995 0.00565 0.00000 -0.01985 0.04340
50 4S 1.28630 -0.39832 0.00000 0.92450 0.68333
51 5S 7.24292 -3.35607 0.00000 4.17672 -4.96051
52 6PX -0.01210 -0.00775 0.00000 0.00865 -0.03805
53 6PY 0.00489 -0.02492 0.00000 0.03124 -0.06329
54 6PZ 0.00000 0.00000 0.05819 0.00000 0.00000
55 7PX -0.05016 0.03716 0.00000 0.02902 -0.05717
56 7PY 0.10474 -0.04893 0.00000 0.06644 -0.01226
57 7PZ 0.00000 0.00000 0.04417 0.00000 0.00000
58 8PX -0.52681 -0.22588 0.00000 0.28863 -0.46641
59 8PY 1.01874 -0.24580 0.00000 1.35248 -1.59479
60 8PZ 0.00000 0.00000 0.49387 0.00000 0.00000
61 9PX -1.56143 -0.02690 0.00000 0.67516 -0.11167
62 9PY 1.57282 -1.25195 0.00000 0.91710 -2.50792
63 9PZ 0.00000 0.00000 0.64072 0.00000 0.00000
64 10D 0 0.00098 -0.00019 0.00000 0.00037 -0.00464
65 10D+1 0.00000 0.00000 -0.00074 0.00000 0.00000
66 10D-1 0.00000 0.00000 -0.00480 0.00000 0.00000
67 10D+2 0.00345 0.00033 0.00000 0.00360 -0.00491
68 10D-2 0.00290 0.00241 0.00000 -0.00090 0.00401
69 11D 0 -0.00751 0.02541 0.00000 -0.01331 0.03602
70 11D+1 0.00000 0.00000 0.04048 0.00000 0.00000
71 11D-1 0.00000 0.00000 -0.00884 0.00000 0.00000
72 11D+2 -0.07352 -0.01689 0.00000 -0.03462 0.07373
73 11D-2 -0.00192 0.00217 0.00000 0.04235 -0.02487
74 12D 0 -0.13551 -0.11828 0.00000 -0.15005 0.30657
75 12D+1 0.00000 0.00000 -0.15388 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.11890 0.00000 0.00000
77 12D+2 -0.12095 0.08905 0.00000 -0.31995 0.41842
78 12D-2 -0.28095 -0.02881 0.00000 0.08586 -0.08849
79 13F 0 0.00000 0.00000 0.00289 0.00000 0.00000
80 13F+1 -0.00128 -0.00170 0.00000 -0.00154 0.00056
81 13F-1 -0.00182 0.00260 0.00000 -0.00086 -0.00053
82 13F+2 0.00000 0.00000 0.00080 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00247 0.00000 0.00000
84 13F+3 -0.00311 -0.00026 0.00000 0.00048 0.00090
85 13F-3 -0.00283 -0.00162 0.00000 -0.00036 0.00105
86 14F 0 0.00000 0.00000 -0.01408 0.00000 0.00000
87 14F+1 0.00296 0.01343 0.00000 0.00610 0.00210
88 14F-1 -0.00162 -0.01348 0.00000 -0.01114 0.05101
89 14F+2 0.00000 0.00000 0.00141 0.00000 0.00000
90 14F-2 0.00000 0.00000 -0.00663 0.00000 0.00000
91 14F+3 0.00981 0.00319 0.00000 -0.02043 0.01767
92 14F-3 -0.01712 0.00111 0.00000 -0.02356 0.04799
93 3 H 1S 0.01651 -0.03899 0.00000 -0.01462 0.01663
94 2S -0.33092 0.80187 0.00000 1.89722 1.00087
95 3S -1.53292 6.09702 0.00000 18.23770 6.33775
96 4S 1.31755 0.54152 0.00000 3.04324 -0.11850
97 5PX -0.00851 0.00056 0.00000 -0.01913 -0.01392
98 5PY -0.00198 0.00678 0.00000 0.00679 -0.00699
99 5PZ 0.00000 0.00000 -0.01409 0.00000 0.00000
100 6PX -0.05428 0.12229 0.00000 0.64872 0.60294
101 6PY 0.37136 -0.30264 0.00000 -0.39904 -0.20439
102 6PZ 0.00000 0.00000 0.18614 0.00000 0.00000
103 7PX -0.08273 -1.39247 0.00000 4.56633 3.56269
104 7PY 3.07594 -2.45293 0.00000 -2.85909 -0.72072
105 7PZ 0.00000 0.00000 3.30556 0.00000 0.00000
106 8D 0 0.01017 -0.00805 0.00000 -0.01473 -0.01453
107 8D+1 0.00000 0.00000 -0.00529 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00972 0.00000 0.00000
109 8D+2 -0.00154 0.00776 0.00000 0.00549 0.01923
110 8D-2 0.00712 -0.01804 0.00000 -0.02084 -0.02963
111 9D 0 0.04110 0.01187 0.00000 -0.05413 -0.18090
112 9D+1 0.00000 0.00000 0.25692 0.00000 0.00000
113 9D-1 0.00000 0.00000 -0.25503 0.00000 0.00000
114 9D+2 0.26790 -0.30529 0.00000 0.13506 0.24447
115 9D-2 0.33555 0.00522 0.00000 -0.12892 -0.26256
26 27 28 29 30
V V V V V
Eigenvalues -- 0.42158 0.44135 0.51994 0.52981 0.58858
1 1 C 1S 0.00000 -0.02194 0.04941 0.00000 0.00616
2 2S 0.00000 -0.09426 -0.08749 0.00000 -0.00757
3 3S 0.00000 -0.13393 0.09304 0.00000 -0.01533
4 4S 0.00000 1.12706 -6.27563 0.00000 -3.50818
5 5S 0.00000 3.64648 -3.88002 0.00000 -0.94728
6 6PX 0.00000 0.13748 -0.05928 0.00000 -0.16894
7 6PY 0.00000 0.01688 -0.05846 0.00000 -0.01836
8 6PZ 0.00023 0.00000 0.00000 -0.25531 0.00000
9 7PX 0.00000 0.17583 0.21930 0.00000 -0.01435
10 7PY 0.00000 0.06920 0.36057 0.00000 0.10654
11 7PZ -0.26212 0.00000 0.00000 -0.05738 0.00000
12 8PX 0.00000 -0.04674 3.07219 0.00000 9.19409
13 8PY 0.00000 0.23619 6.48505 0.00000 -6.02649
14 8PZ -0.75686 0.00000 0.00000 4.76679 0.00000
15 9PX 0.00000 0.12332 0.53574 0.00000 1.37149
16 9PY 0.00000 0.49062 0.78175 0.00000 -0.87073
17 9PZ -0.52471 0.00000 0.00000 0.19400 0.00000
18 10D 0 0.00000 0.00387 -0.02123 0.00000 0.00453
19 10D+1 0.00025 0.00000 0.00000 0.00658 0.00000
20 10D-1 0.00131 0.00000 0.00000 0.02053 0.00000
21 10D+2 0.00000 -0.00334 -0.02132 0.00000 0.03181
22 10D-2 0.00000 0.00106 0.00029 0.00000 0.02452
23 11D 0 0.00000 -0.33090 0.35108 0.00000 0.10084
24 11D+1 -0.11965 0.00000 0.00000 -0.17532 0.00000
25 11D-1 0.47294 0.00000 0.00000 -0.61836 0.00000
26 11D+2 0.00000 -0.05803 0.27456 0.00000 -0.07259
27 11D-2 0.00000 -0.60238 -0.27233 0.00000 -0.73003
28 12D 0 0.00000 -1.13695 0.74915 0.00000 -0.11151
29 12D+1 -1.04871 0.00000 0.00000 -0.82209 0.00000
30 12D-1 2.82540 0.00000 0.00000 -0.15221 0.00000
31 12D+2 0.00000 -1.22487 -0.00013 0.00000 -2.77196
32 12D-2 0.00000 -3.13884 -1.43753 0.00000 -1.14594
33 13F 0 0.00285 0.00000 0.00000 -0.01528 0.00000
34 13F+1 0.00000 0.00872 -0.00525 0.00000 0.00096
35 13F-1 0.00000 -0.00034 -0.00862 0.00000 -0.01383
36 13F+2 -0.00299 0.00000 0.00000 -0.01377 0.00000
37 13F-2 0.00284 0.00000 0.00000 0.00622 0.00000
38 13F+3 0.00000 -0.01173 -0.01462 0.00000 -0.01862
39 13F-3 0.00000 0.00774 -0.01683 0.00000 -0.00955
40 14F 0 0.09280 0.00000 0.00000 -0.32723 0.00000
41 14F+1 0.00000 0.09338 -0.10215 0.00000 -0.25071
42 14F-1 0.00000 -0.04696 -0.14749 0.00000 0.28046
43 14F+2 0.29128 0.00000 0.00000 -0.27161 0.00000
44 14F-2 -0.10967 0.00000 0.00000 -0.22827 0.00000
45 14F+3 0.00000 -0.07592 -0.06954 0.00000 -0.65958
46 14F-3 0.00000 0.46528 -0.34430 0.00000 0.05766
47 2 O 1S 0.00000 0.00166 -0.04137 0.00000 0.04279
48 2S 0.00000 -0.04521 0.08280 0.00000 -0.07354
49 3S 0.00000 -0.01562 0.02533 0.00000 -0.03455
50 4S 0.00000 -1.55949 4.40159 0.00000 -2.69421
51 5S 0.00000 -2.63483 6.96507 0.00000 -5.86847
52 6PX 0.00000 -0.09392 -0.07353 0.00000 -0.04189
53 6PY 0.00000 0.02128 0.07479 0.00000 -0.04733
54 6PZ 0.10084 0.00000 0.00000 0.02396 0.00000
55 7PX 0.00000 -0.09038 -0.05760 0.00000 -0.05515
56 7PY 0.00000 -0.06947 0.32233 0.00000 -0.14171
57 7PZ 0.07131 0.00000 0.00000 0.00298 0.00000
58 8PX 0.00000 -1.29095 -1.34461 0.00000 -3.21392
59 8PY 0.00000 -0.10905 1.38163 0.00000 0.20300
60 8PZ 1.96878 0.00000 0.00000 -1.85638 0.00000
61 9PX 0.00000 -0.96082 -1.14421 0.00000 -1.95072
62 9PY 0.00000 -0.19587 0.83762 0.00000 -0.76972
63 9PZ 2.01270 0.00000 0.00000 -1.12946 0.00000
64 10D 0 0.00000 0.00032 -0.00091 0.00000 0.00320
65 10D+1 -0.00014 0.00000 0.00000 -0.00390 0.00000
66 10D-1 -0.00897 0.00000 0.00000 -0.00099 0.00000
67 10D+2 0.00000 0.00092 -0.00298 0.00000 0.00475
68 10D-2 0.00000 0.01077 0.00331 0.00000 0.00044
69 11D 0 0.00000 -0.01274 -0.04073 0.00000 0.00383
70 11D+1 -0.01863 0.00000 0.00000 -0.00408 0.00000
71 11D-1 0.08017 0.00000 0.00000 -0.11675 0.00000
72 11D+2 0.00000 0.02608 -0.07299 0.00000 -0.01008
73 11D-2 0.00000 -0.07159 -0.05274 0.00000 -0.13402
74 12D 0 0.00000 -0.12772 0.08430 0.00000 -0.12247
75 12D+1 0.00992 0.00000 0.00000 -0.19798 0.00000
76 12D-1 0.61006 0.00000 0.00000 -1.16491 0.00000
77 12D+2 0.00000 0.00476 0.07070 0.00000 -0.36187
78 12D-2 0.00000 -0.16652 -0.52487 0.00000 -1.68001
79 13F 0 0.00223 0.00000 0.00000 -0.00848 0.00000
80 13F+1 0.00000 0.00338 -0.00220 0.00000 -0.00510
81 13F-1 0.00000 0.00189 -0.00719 0.00000 0.00085
82 13F+2 0.00535 0.00000 0.00000 -0.00775 0.00000
83 13F-2 0.00076 0.00000 0.00000 0.00496 0.00000
84 13F+3 0.00000 -0.00029 -0.00340 0.00000 -0.01361
85 13F-3 0.00000 -0.00313 -0.00716 0.00000 0.00640
86 14F 0 -0.04399 0.00000 0.00000 0.10794 0.00000
87 14F+1 0.00000 -0.01083 0.02786 0.00000 0.05682
88 14F-1 0.00000 -0.02197 0.01887 0.00000 -0.00985
89 14F+2 -0.07441 0.00000 0.00000 0.11943 0.00000
90 14F-2 -0.00774 0.00000 0.00000 -0.03259 0.00000
91 14F+3 0.00000 0.03599 0.07570 0.00000 0.17849
92 14F-3 0.00000 0.01905 0.01106 0.00000 -0.04395
93 3 H 1S 0.00000 0.03051 0.03825 0.00000 -0.07839
94 2S 0.00000 -1.86042 0.98179 0.00000 0.69886
95 3S 0.00000 -0.91981 -0.88470 0.00000 11.48567
96 4S 0.00000 -0.66879 0.64429 0.00000 0.84609
97 5PX 0.00000 -0.02271 0.02495 0.00000 -0.00062
98 5PY 0.00000 0.02033 0.01848 0.00000 -0.01538
99 5PZ 0.01637 0.00000 0.00000 0.03618 0.00000
100 6PX 0.00000 -0.23006 -0.03923 0.00000 0.12848
101 6PY 0.00000 0.19312 -0.15117 0.00000 0.15795
102 6PZ -0.21136 0.00000 0.00000 -0.40008 0.00000
103 7PX 0.00000 0.72380 -1.39618 0.00000 0.71587
104 7PY 0.00000 -2.96768 -1.92021 0.00000 -2.74747
105 7PZ -2.12446 0.00000 0.00000 -2.05882 0.00000
106 8D 0 0.00000 0.00965 -0.00221 0.00000 -0.01476
107 8D+1 0.00279 0.00000 0.00000 0.00269 0.00000
108 8D-1 0.00498 0.00000 0.00000 0.00012 0.00000
109 8D+2 0.00000 -0.00242 0.01572 0.00000 0.00172
110 8D-2 0.00000 0.02145 -0.00078 0.00000 -0.00701
111 9D 0 0.00000 -0.23208 0.02652 0.00000 0.10544
112 9D+1 -0.19335 0.00000 0.00000 -0.36456 0.00000
113 9D-1 0.15297 0.00000 0.00000 0.10245 0.00000
114 9D+2 0.00000 -0.03976 -0.32455 0.00000 -0.00263
115 9D-2 0.00000 -0.19859 -0.10764 0.00000 0.44847
31 32 33 34 35
V V V V V
Eigenvalues -- 0.64357 0.72698 0.76048 0.77475 0.82897
1 1 C 1S -0.02642 0.09242 0.00000 0.01670 0.01711
2 2S 0.08034 -0.12157 0.00000 -0.01955 0.04766
3 3S 0.03300 0.05051 0.00000 0.01566 0.03431
4 4S -0.38847 5.59238 0.00000 1.65194 8.55502
5 5S -3.02248 1.84740 0.00000 -1.31929 3.01583
6 6PX -0.11629 -0.01740 0.00000 -0.01104 -0.08181
7 6PY 0.02879 0.21600 0.00000 0.01078 -0.06477
8 6PZ 0.00000 0.00000 -0.02290 0.00000 0.00000
9 7PX -0.07388 0.19403 0.00000 -0.15777 -0.02760
10 7PY 0.23476 -0.27380 0.00000 0.21520 -1.18867
11 7PZ 0.00000 0.00000 0.03919 0.00000 0.00000
12 8PX -1.77702 -1.79768 0.00000 0.46407 -2.23461
13 8PY 4.16643 1.33487 0.00000 0.20272 1.33424
14 8PZ 0.00000 0.00000 1.43436 0.00000 0.00000
15 9PX 0.70331 -0.33770 0.00000 0.42672 -0.42225
16 9PY 0.25715 0.78821 0.00000 -0.15034 0.00929
17 9PZ 0.00000 0.00000 0.38925 0.00000 0.00000
18 10D 0 0.01033 0.00177 0.00000 -0.01389 -0.00409
19 10D+1 0.00000 0.00000 0.01640 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.01799 0.00000 0.00000
21 10D+2 -0.01628 -0.02065 0.00000 0.01816 0.01307
22 10D-2 0.03299 0.01361 0.00000 0.00637 -0.01112
23 11D 0 0.14267 -0.06161 0.00000 -0.04110 0.13714
24 11D+1 0.00000 0.00000 0.05800 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.34178 0.00000 0.00000
26 11D+2 0.17297 -0.37718 0.00000 0.09129 -1.26162
27 11D-2 -0.29814 0.03890 0.00000 -0.23002 0.44365
28 12D 0 0.05114 0.06162 0.00000 1.08316 -0.45808
29 12D+1 0.00000 0.00000 -1.32800 0.00000 0.00000
30 12D-1 0.00000 0.00000 -0.15480 0.00000 0.00000
31 12D+2 1.55882 0.74598 0.00000 -0.62545 -1.02431
32 12D-2 -0.93631 -0.25875 0.00000 0.26068 0.28234
33 13F 0 0.00000 0.00000 -0.01719 0.00000 0.00000
34 13F+1 -0.00263 -0.00862 0.00000 -0.00534 -0.02160
35 13F-1 -0.00655 0.01069 0.00000 -0.00701 0.03660
36 13F+2 0.00000 0.00000 -0.01919 0.00000 0.00000
37 13F-2 0.00000 0.00000 -0.01170 0.00000 0.00000
38 13F+3 -0.00857 -0.00470 0.00000 -0.00325 0.00584
39 13F-3 -0.00663 -0.00609 0.00000 -0.02319 0.02798
40 14F 0 0.00000 0.00000 0.08988 0.00000 0.00000
41 14F+1 0.08070 0.01147 0.00000 -0.01015 0.11208
42 14F-1 -0.18935 -0.05557 0.00000 -0.05305 -0.26069
43 14F+2 0.00000 0.00000 0.03528 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.34464 0.00000 0.00000
45 14F+3 -0.09299 0.12539 0.00000 -0.09971 0.98411
46 14F-3 0.07973 0.01814 0.00000 0.24799 -0.15511
47 2 O 1S -0.02422 -0.02609 0.00000 -0.00874 0.04695
48 2S 0.00350 0.19650 0.00000 -0.00269 -0.09387
49 3S 0.00513 0.05062 0.00000 -0.00537 -0.01217
50 4S 2.38554 -0.49415 0.00000 0.06833 -2.83996
51 5S 4.79605 -1.65753 0.00000 1.03854 -4.29213
52 6PX 0.06489 0.01091 0.00000 0.03168 -0.00332
53 6PY -0.00218 0.08829 0.00000 0.01187 -0.01661
54 6PZ 0.00000 0.00000 -0.01421 0.00000 0.00000
55 7PX 0.05853 0.00095 0.00000 0.05616 0.10349
56 7PY 0.11871 0.07051 0.00000 0.05205 -0.21099
57 7PZ 0.00000 0.00000 -0.02507 0.00000 0.00000
58 8PX -0.21070 0.39838 0.00000 -0.47136 2.03670
59 8PY 0.33488 -1.00267 0.00000 0.29759 -2.66650
60 8PZ 0.00000 0.00000 -0.47236 0.00000 0.00000
61 9PX -0.80229 0.15401 0.00000 -0.16955 0.92704
62 9PY 0.55280 -1.64369 0.00000 0.19710 -0.74267
63 9PZ 0.00000 0.00000 -0.57670 0.00000 0.00000
64 10D 0 -0.00455 0.02139 0.00000 -0.03010 -0.00765
65 10D+1 0.00000 0.00000 0.03331 0.00000 0.00000
66 10D-1 0.00000 0.00000 -0.00524 0.00000 0.00000
67 10D+2 -0.00011 0.02616 0.00000 0.02236 -0.00256
68 10D-2 -0.00611 0.00086 0.00000 0.00547 0.00597
69 11D 0 -0.01576 -0.01532 0.00000 0.06284 0.07382
70 11D+1 0.00000 0.00000 -0.08025 0.00000 0.00000
71 11D-1 0.00000 0.00000 -0.02530 0.00000 0.00000
72 11D+2 -0.03242 0.01540 0.00000 -0.08065 0.11826
73 11D-2 -0.05931 -0.01184 0.00000 -0.04360 0.06233
74 12D 0 -0.13245 0.85264 0.00000 -1.15685 0.02695
75 12D+1 0.00000 0.00000 1.37081 0.00000 0.00000
76 12D-1 0.00000 0.00000 -0.57572 0.00000 0.00000
77 12D+2 0.23689 1.22385 0.00000 0.73902 0.92219
78 12D-2 -0.31526 0.23218 0.00000 -0.13845 1.45027
79 13F 0 0.00000 0.00000 -0.00344 0.00000 0.00000
80 13F+1 0.00356 0.00139 0.00000 -0.00145 0.00329
81 13F-1 -0.00085 -0.00487 0.00000 0.00507 0.00847
82 13F+2 0.00000 0.00000 -0.00408 0.00000 0.00000
83 13F-2 0.00000 0.00000 -0.01543 0.00000 0.00000
84 13F+3 -0.00128 0.00315 0.00000 -0.00084 0.00991
85 13F-3 -0.00806 -0.00690 0.00000 -0.01186 -0.00269
86 14F 0 0.00000 0.00000 0.05206 0.00000 0.00000
87 14F+1 -0.01042 -0.00536 0.00000 0.01408 -0.02371
88 14F-1 -0.00780 0.05780 0.00000 -0.05764 -0.01299
89 14F+2 0.00000 0.00000 0.06056 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.10926 0.00000 0.00000
91 14F+3 0.04417 -0.01219 0.00000 0.01699 -0.08533
92 14F-3 0.04027 0.07564 0.00000 0.05940 0.08970
93 3 H 1S -0.11710 -0.00576 0.00000 0.00387 -0.00199
94 2S -2.30735 -0.11421 0.00000 -0.03168 0.26351
95 3S -2.01680 -3.86213 0.00000 -1.00831 -4.36549
96 4S 0.59671 -0.71322 0.00000 0.29184 -0.59568
97 5PX -0.02760 0.00297 0.00000 0.01116 0.02832
98 5PY 0.02079 0.00655 0.00000 -0.00204 0.04484
99 5PZ 0.00000 0.00000 -0.00198 0.00000 0.00000
100 6PX 0.15441 0.18783 0.00000 -0.17096 -0.07297
101 6PY -0.04224 -0.15050 0.00000 0.01526 -1.02963
102 6PZ 0.00000 0.00000 0.12483 0.00000 0.00000
103 7PX -0.07160 -0.91042 0.00000 -1.31604 -2.33649
104 7PY 0.68530 0.24136 0.00000 0.91612 -1.27451
105 7PZ 0.00000 0.00000 -1.01404 0.00000 0.00000
106 8D 0 -0.00917 -0.00341 0.00000 0.01223 -0.02918
107 8D+1 0.00000 0.00000 -0.00776 0.00000 0.00000
108 8D-1 0.00000 0.00000 -0.02134 0.00000 0.00000
109 8D+2 0.00142 0.01036 0.00000 -0.00585 -0.00537
110 8D-2 0.00128 -0.02161 0.00000 -0.01408 -0.01520
111 9D 0 0.07069 -0.22756 0.00000 -0.23452 0.28427
112 9D+1 0.00000 0.00000 0.43499 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.40671 0.00000 0.00000
114 9D+2 0.00934 -0.18203 0.00000 -0.02268 -1.09036
115 9D-2 -0.07039 -0.14571 0.00000 0.43259 -0.93024
36 37 38 39 40
V V V V V
Eigenvalues -- 0.83866 0.86537 0.87376 0.92218 0.95833
1 1 C 1S 0.00000 0.04365 0.00000 -0.06633 0.01980
2 2S 0.00000 -0.15888 0.00000 0.20565 -0.05656
3 3S 0.00000 -0.18361 0.00000 0.10553 -0.13460
4 4S 0.00000 20.09180 0.00000 -15.01676 6.80204
5 5S 0.00000 4.87065 0.00000 -4.18278 2.38742
6 6PX 0.00000 0.14713 0.00000 -0.09588 0.02439
7 6PY 0.00000 -0.12375 0.00000 0.15143 -0.05820
8 6PZ -0.09764 0.00000 0.04932 0.00000 0.00000
9 7PX 0.00000 0.00219 0.00000 1.39746 -0.26553
10 7PY 0.00000 -0.51877 0.00000 -0.29112 0.31924
11 7PZ -0.62289 0.00000 -0.38739 0.00000 0.00000
12 8PX 0.00000 -7.18217 0.00000 5.43111 -0.61468
13 8PY 0.00000 5.05489 0.00000 -4.45760 -0.12671
14 8PZ 0.05780 0.00000 -1.84671 0.00000 0.00000
15 9PX 0.00000 -0.44088 0.00000 0.59687 -0.23568
16 9PY 0.00000 0.33329 0.00000 -0.37193 0.38339
17 9PZ -0.49107 0.00000 -0.53365 0.00000 0.00000
18 10D 0 0.00000 0.00102 0.00000 0.01273 -0.01230
19 10D+1 0.01680 0.00000 -0.03409 0.00000 0.00000
20 10D-1 -0.03586 0.00000 0.00901 0.00000 0.00000
21 10D+2 0.00000 0.00321 0.00000 0.00505 0.03247
22 10D-2 0.00000 0.02593 0.00000 0.02429 0.00160
23 11D 0 0.00000 -0.72662 0.00000 0.38543 -0.30892
24 11D+1 -0.21460 0.00000 0.97564 0.00000 0.00000
25 11D-1 0.39116 0.00000 -0.68192 0.00000 0.00000
26 11D+2 0.00000 -0.18653 0.00000 -1.06450 -0.72122
27 11D-2 0.00000 -1.44098 0.00000 1.14511 -0.80013
28 12D 0 0.00000 -0.80447 0.00000 0.87392 -0.02053
29 12D+1 -0.60633 0.00000 0.52067 0.00000 0.00000
30 12D-1 1.01098 0.00000 -0.27771 0.00000 0.00000
31 12D+2 0.00000 0.56408 0.00000 -0.43647 -0.02535
32 12D-2 0.00000 -1.37558 0.00000 1.93931 -0.62985
33 13F 0 -0.00752 0.00000 -0.02191 0.00000 0.00000
34 13F+1 0.00000 0.01999 0.00000 -0.03185 0.00212
35 13F-1 0.00000 -0.00002 0.00000 0.05048 0.00392
36 13F+2 0.00668 0.00000 -0.02880 0.00000 0.00000
37 13F-2 -0.00340 0.00000 -0.00835 0.00000 0.00000
38 13F+3 0.00000 -0.01290 0.00000 0.00209 -0.02048
39 13F-3 0.00000 0.06277 0.00000 -0.04520 0.05132
40 14F 0 -0.02874 0.00000 0.25824 0.00000 0.00000
41 14F+1 0.00000 0.27431 0.00000 -0.18197 0.00970
42 14F-1 0.00000 -0.34853 0.00000 -0.06334 0.03029
43 14F+2 0.05499 0.00000 -0.11908 0.00000 0.00000
44 14F-2 -0.16571 0.00000 0.34692 0.00000 0.00000
45 14F+3 0.00000 0.34754 0.00000 0.65799 0.23932
46 14F-3 0.00000 0.52125 0.00000 -0.29126 0.21729
47 2 O 1S 0.00000 0.02054 0.00000 -0.00650 -0.00736
48 2S 0.00000 -0.04985 0.00000 -0.02798 -0.11143
49 3S 0.00000 -0.00509 0.00000 -0.00262 -0.02694
50 4S 0.00000 -2.33199 0.00000 -0.35897 -1.72815
51 5S 0.00000 -1.23181 0.00000 -0.46685 -2.69628
52 6PX 0.00000 -0.04603 0.00000 -0.07139 0.03601
53 6PY 0.00000 -0.01816 0.00000 0.04425 0.00258
54 6PZ 0.10513 0.00000 -0.00863 0.00000 0.00000
55 7PX 0.00000 -0.18578 0.00000 -0.09547 0.05672
56 7PY 0.00000 -0.14563 0.00000 -0.02948 -0.11370
57 7PZ 0.27033 0.00000 -0.04827 0.00000 0.00000
58 8PX 0.00000 0.18910 0.00000 1.62103 -0.34124
59 8PY 0.00000 -2.34278 0.00000 -0.02343 -0.78398
60 8PZ 0.42393 0.00000 -0.29364 0.00000 0.00000
61 9PX 0.00000 -0.80584 0.00000 0.34436 0.07702
62 9PY 0.00000 -0.04959 0.00000 -0.21569 -0.77375
63 9PZ 1.38223 0.00000 0.31874 0.00000 0.00000
64 10D 0 0.00000 -0.00080 0.00000 -0.00434 0.00466
65 10D+1 0.01486 0.00000 -0.00784 0.00000 0.00000
66 10D-1 0.02758 0.00000 0.01140 0.00000 0.00000
67 10D+2 0.00000 -0.00211 0.00000 -0.00004 -0.01274
68 10D-2 0.00000 -0.01619 0.00000 -0.02545 0.00664
69 11D 0 0.00000 0.02874 0.00000 0.01950 -0.01346
70 11D+1 -0.04320 0.00000 0.02793 0.00000 0.00000
71 11D-1 -0.04615 0.00000 -0.05965 0.00000 0.00000
72 11D+2 0.00000 0.07592 0.00000 0.03713 0.06771
73 11D-2 0.00000 -0.00422 0.00000 0.13042 -0.06709
74 12D 0 0.00000 0.12959 0.00000 -0.30748 -0.03307
75 12D+1 0.40274 0.00000 -0.21879 0.00000 0.00000
76 12D-1 1.52089 0.00000 -0.04798 0.00000 0.00000
77 12D+2 0.00000 0.88477 0.00000 -0.07696 -0.64311
78 12D-2 0.00000 -1.11628 0.00000 -0.13369 -0.04663
79 13F 0 0.00899 0.00000 -0.00066 0.00000 0.00000
80 13F+1 0.00000 -0.00053 0.00000 -0.00366 0.00038
81 13F-1 0.00000 0.00458 0.00000 0.00657 0.00389
82 13F+2 0.01292 0.00000 -0.00397 0.00000 0.00000
83 13F-2 0.00063 0.00000 -0.00061 0.00000 0.00000
84 13F+3 0.00000 -0.01797 0.00000 0.00040 0.00186
85 13F-3 0.00000 -0.00562 0.00000 -0.00220 0.00922
86 14F 0 -0.07227 0.00000 0.02508 0.00000 0.00000
87 14F+1 0.00000 0.00904 0.00000 0.02594 0.01077
88 14F-1 0.00000 -0.00281 0.00000 -0.04913 -0.04351
89 14F+2 -0.10395 0.00000 0.05374 0.00000 0.00000
90 14F-2 -0.00242 0.00000 -0.00384 0.00000 0.00000
91 14F+3 0.00000 0.14332 0.00000 0.00600 0.02159
92 14F-3 0.00000 0.09143 0.00000 -0.00299 -0.04844
93 3 H 1S 0.00000 0.05628 0.00000 -0.08872 0.03226
94 2S 0.00000 -3.80570 0.00000 3.64300 -1.63312
95 3S 0.00000 -18.44879 0.00000 16.48859 -3.32848
96 4S 0.00000 -1.20191 0.00000 1.26850 -0.67569
97 5PX 0.00000 0.01093 0.00000 0.00843 0.00303
98 5PY 0.00000 0.02694 0.00000 0.01285 0.00365
99 5PZ 0.02263 0.00000 -0.00521 0.00000 0.00000
100 6PX 0.00000 -1.50374 0.00000 1.21972 -0.62062
101 6PY 0.00000 0.38709 0.00000 -1.33598 0.27761
102 6PZ -0.37758 0.00000 0.10489 0.00000 0.00000
103 7PX 0.00000 -3.72889 0.00000 3.55087 -1.52058
104 7PY 0.00000 2.44341 0.00000 -2.86974 -0.49536
105 7PZ -1.18868 0.00000 2.42675 0.00000 0.00000
106 8D 0 0.00000 0.02251 0.00000 -0.03844 0.05169
107 8D+1 0.00538 0.00000 -0.00089 0.00000 0.00000
108 8D-1 0.01139 0.00000 0.00008 0.00000 0.00000
109 8D+2 0.00000 -0.03333 0.00000 0.01350 0.00559
110 8D-2 0.00000 0.05376 0.00000 -0.07255 -0.00376
111 9D 0 0.00000 -0.01640 0.00000 -0.37856 -0.59556
112 9D+1 -0.56641 0.00000 1.10422 0.00000 0.00000
113 9D-1 0.03369 0.00000 -0.74756 0.00000 0.00000
114 9D+2 0.00000 -0.37200 0.00000 -0.46787 -1.20524
115 9D-2 0.00000 -0.47512 0.00000 -0.99219 0.59494
41 42 43 44 45
V V V V V
Eigenvalues -- 0.96583 1.00518 1.02501 1.04020 1.07722
1 1 C 1S 0.00000 -0.07282 -0.04382 0.00000 0.00000
2 2S 0.00000 0.04832 0.05458 0.00000 0.00000
3 3S 0.00000 0.05335 0.12119 0.00000 0.00000
4 4S 0.00000 -1.93080 -9.81183 0.00000 0.00000
5 5S 0.00000 0.07770 -5.13685 0.00000 0.00000
6 6PX 0.00000 -0.08493 0.04778 0.00000 0.00000
7 6PY 0.00000 -0.09337 -0.12871 0.00000 0.00000
8 6PZ -0.04052 0.00000 0.00000 -0.01055 -0.00188
9 7PX 0.00000 0.40726 -0.22138 0.00000 0.00000
10 7PY 0.00000 -0.92013 2.08503 0.00000 0.00000
11 7PZ -0.33334 0.00000 0.00000 -0.39849 -0.57029
12 8PX 0.00000 -2.58455 0.71783 0.00000 0.00000
13 8PY 0.00000 4.27948 5.97428 0.00000 0.00000
14 8PZ -0.46426 0.00000 0.00000 -1.69178 -1.59233
15 9PX 0.00000 -0.59068 0.60845 0.00000 0.00000
16 9PY 0.00000 0.69421 0.51963 0.00000 0.00000
17 9PZ 0.11922 0.00000 0.00000 -0.31171 -0.14548
18 10D 0 0.00000 0.01481 0.04131 0.00000 0.00000
19 10D+1 0.01636 0.00000 0.00000 -0.01877 0.01980
20 10D-1 -0.00729 0.00000 0.00000 0.01390 -0.02949
21 10D+2 0.00000 -0.01905 0.12690 0.00000 0.00000
22 10D-2 0.00000 0.03259 -0.02392 0.00000 0.00000
23 11D 0 0.00000 0.62546 0.59208 0.00000 0.00000
24 11D+1 -0.19969 0.00000 0.00000 -0.44468 -0.33199
25 11D-1 0.45240 0.00000 0.00000 -0.62576 0.82693
26 11D+2 0.00000 0.27373 0.95284 0.00000 0.00000
27 11D-2 0.00000 -0.03591 0.14192 0.00000 0.00000
28 12D 0 0.00000 -0.25253 0.69923 0.00000 0.00000
29 12D+1 0.15307 0.00000 0.00000 1.09617 -0.38961
30 12D-1 -0.61213 0.00000 0.00000 -0.46295 1.95393
31 12D+2 0.00000 1.40315 -0.03682 0.00000 0.00000
32 12D-2 0.00000 -1.01575 0.47640 0.00000 0.00000
33 13F 0 -0.00164 0.00000 0.00000 -0.06592 -0.01589
34 13F+1 0.00000 -0.04673 0.01052 0.00000 0.00000
35 13F-1 0.00000 -0.01493 -0.07991 0.00000 0.00000
36 13F+2 0.01175 0.00000 0.00000 0.00608 0.00865
37 13F-2 0.00956 0.00000 0.00000 0.02100 0.00682
38 13F+3 0.00000 -0.02756 0.00945 0.00000 0.00000
39 13F-3 0.00000 -0.03435 -0.08442 0.00000 0.00000
40 14F 0 0.08477 0.00000 0.00000 0.57550 0.59143
41 14F+1 0.00000 0.30258 -0.08736 0.00000 0.00000
42 14F-1 0.00000 -0.09594 0.04190 0.00000 0.00000
43 14F+2 0.28268 0.00000 0.00000 -0.34259 0.87724
44 14F-2 -0.10684 0.00000 0.00000 0.18356 -0.29451
45 14F+3 0.00000 0.03328 0.39333 0.00000 0.00000
46 14F-3 0.00000 0.17677 -0.18137 0.00000 0.00000
47 2 O 1S 0.00000 0.01944 -0.02591 0.00000 0.00000
48 2S 0.00000 0.00372 0.01803 0.00000 0.00000
49 3S 0.00000 -0.00097 -0.04735 0.00000 0.00000
50 4S 0.00000 1.62843 6.70149 0.00000 0.00000
51 5S 0.00000 2.33111 9.97975 0.00000 0.00000
52 6PX 0.00000 0.06121 -0.05276 0.00000 0.00000
53 6PY 0.00000 -0.13638 -0.24261 0.00000 0.00000
54 6PZ 0.00188 0.00000 0.00000 0.00979 -0.21167
55 7PX 0.00000 0.08890 -0.06429 0.00000 0.00000
56 7PY 0.00000 -0.15024 -0.03837 0.00000 0.00000
57 7PZ 0.06437 0.00000 0.00000 -0.00644 -0.49859
58 8PX 0.00000 0.27573 0.69089 0.00000 0.00000
59 8PY 0.00000 -0.62415 4.84002 0.00000 0.00000
60 8PZ 0.71559 0.00000 0.00000 -0.30057 3.98015
61 9PX 0.00000 0.32526 -0.17787 0.00000 0.00000
62 9PY 0.00000 -0.22102 1.44059 0.00000 0.00000
63 9PZ -0.12220 0.00000 0.00000 0.10589 0.86922
64 10D 0 0.00000 0.00332 0.01560 0.00000 0.00000
65 10D+1 -0.01693 0.00000 0.00000 -0.00250 0.00241
66 10D-1 0.00453 0.00000 0.00000 0.00812 -0.02384
67 10D+2 0.00000 -0.00649 0.02643 0.00000 0.00000
68 10D-2 0.00000 0.00763 -0.00722 0.00000 0.00000
69 11D 0 0.00000 -0.01412 -0.23565 0.00000 0.00000
70 11D+1 0.05880 0.00000 0.00000 -0.04174 -0.00179
71 11D-1 0.02319 0.00000 0.00000 -0.06412 0.23538
72 11D+2 0.00000 -0.02920 -0.36967 0.00000 0.00000
73 11D-2 0.00000 -0.08578 0.08139 0.00000 0.00000
74 12D 0 0.00000 0.54760 -0.03228 0.00000 0.00000
75 12D+1 -0.63064 0.00000 0.00000 0.20290 -0.06858
76 12D-1 0.97831 0.00000 0.00000 -0.06683 1.17739
77 12D+2 0.00000 0.88430 -0.21097 0.00000 0.00000
78 12D-2 0.00000 0.52301 0.07767 0.00000 0.00000
79 13F 0 0.00390 0.00000 0.00000 0.00311 0.00539
80 13F+1 0.00000 0.00489 -0.00264 0.00000 0.00000
81 13F-1 0.00000 -0.00773 -0.01841 0.00000 0.00000
82 13F+2 0.01037 0.00000 0.00000 -0.00466 0.01250
83 13F-2 0.00110 0.00000 0.00000 -0.00516 0.00322
84 13F+3 0.00000 0.00767 0.00070 0.00000 0.00000
85 13F-3 0.00000 -0.01575 -0.01989 0.00000 0.00000
86 14F 0 -0.03761 0.00000 0.00000 0.01199 -0.07421
87 14F+1 0.00000 -0.01222 0.00937 0.00000 0.00000
88 14F-1 0.00000 0.07160 -0.04681 0.00000 0.00000
89 14F+2 -0.08949 0.00000 0.00000 0.06149 -0.12851
90 14F-2 0.00716 0.00000 0.00000 0.02096 -0.01570
91 14F+3 0.00000 0.00533 -0.03289 0.00000 0.00000
92 14F-3 0.00000 0.12126 -0.05918 0.00000 0.00000
93 3 H 1S 0.00000 -0.07768 0.03443 0.00000 0.00000
94 2S 0.00000 -0.53000 0.34078 0.00000 0.00000
95 3S 0.00000 -1.80225 -0.60241 0.00000 0.00000
96 4S 0.00000 -0.15284 0.70032 0.00000 0.00000
97 5PX 0.00000 -0.01212 0.02202 0.00000 0.00000
98 5PY 0.00000 0.02181 0.00563 0.00000 0.00000
99 5PZ 0.01087 0.00000 0.00000 -0.04220 0.02353
100 6PX 0.00000 0.35656 -0.37545 0.00000 0.00000
101 6PY 0.00000 -0.34124 -0.17836 0.00000 0.00000
102 6PZ -0.22160 0.00000 0.00000 0.69928 -0.49389
103 7PX 0.00000 1.59260 -1.75750 0.00000 0.00000
104 7PY 0.00000 -1.02305 0.08287 0.00000 0.00000
105 7PZ 0.12919 0.00000 0.00000 2.03527 -1.12206
106 8D 0 0.00000 0.02050 0.00495 0.00000 0.00000
107 8D+1 -0.03377 0.00000 0.00000 -0.01934 -0.00111
108 8D-1 -0.05163 0.00000 0.00000 0.00421 0.00826
109 8D+2 0.00000 0.01402 -0.00833 0.00000 0.00000
110 8D-2 0.00000 -0.01102 0.00006 0.00000 0.00000
111 9D 0 0.00000 -1.21676 0.42013 0.00000 0.00000
112 9D+1 0.33659 0.00000 0.00000 0.96293 -0.47727
113 9D-1 1.27331 0.00000 0.00000 -0.55581 0.41449
114 9D+2 0.00000 0.25559 -0.71640 0.00000 0.00000
115 9D-2 0.00000 -0.95171 0.58718 0.00000 0.00000
46 47 48 49 50
V V V V V
Eigenvalues -- 1.09413 1.18878 1.20646 1.25428 1.28848
1 1 C 1S 0.00895 0.00000 0.00187 0.00654 0.01559
2 2S -0.12307 0.00000 -0.18456 -0.68816 -0.25922
3 3S -0.06278 0.00000 -0.23478 -0.62953 -0.22882
4 4S -3.25509 0.00000 1.17936 7.52474 11.09988
5 5S -1.46039 0.00000 1.17183 0.75396 2.98293
6 6PX 0.07425 0.00000 -0.00739 -0.04275 -0.10239
7 6PY 0.07680 0.00000 0.10256 0.08640 0.04347
8 6PZ 0.00000 -0.11486 0.00000 0.00000 0.00000
9 7PX -0.12853 0.00000 -0.00902 -1.94944 -0.94239
10 7PY 0.65478 0.00000 1.22994 1.23225 -0.69873
11 7PZ 0.00000 -1.43692 0.00000 0.00000 0.00000
12 8PX 1.21968 0.00000 3.41910 -2.71203 -5.35626
13 8PY -3.68526 0.00000 -1.45835 -0.96582 -0.74843
14 8PZ 0.00000 -2.44700 0.00000 0.00000 0.00000
15 9PX 0.06416 0.00000 0.28461 0.07790 -0.46662
16 9PY -0.58356 0.00000 -0.00800 -0.06769 -0.00755
17 9PZ 0.00000 -0.01444 0.00000 0.00000 0.00000
18 10D 0 -0.00674 0.00000 0.02651 -0.03228 -0.01411
19 10D+1 0.00000 -0.00573 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.02088 0.00000 0.00000 0.00000
21 10D+2 0.00437 0.00000 0.04432 0.01663 -0.00262
22 10D-2 -0.02460 0.00000 0.01855 -0.01658 -0.00675
23 11D 0 0.51029 0.00000 -0.80777 -0.47902 -0.80094
24 11D+1 0.00000 -0.12016 0.00000 0.00000 0.00000
25 11D-1 0.00000 1.05050 0.00000 0.00000 0.00000
26 11D+2 -0.18881 0.00000 -0.24902 -0.60393 -0.55753
27 11D-2 -0.27099 0.00000 -1.40885 -0.74928 0.45793
28 12D 0 -0.19974 0.00000 -0.82418 -0.49902 -0.78498
29 12D+1 0.00000 -0.07773 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.40254 0.00000 0.00000 0.00000
31 12D+2 -0.11823 0.00000 -1.92732 -1.18654 -0.29851
32 12D-2 1.63430 0.00000 -1.80311 -0.21725 0.23146
33 13F 0 0.00000 0.12077 0.00000 0.00000 0.00000
34 13F+1 -0.07249 0.00000 -0.04781 0.08537 0.05695
35 13F-1 -0.03652 0.00000 -0.03140 0.06228 -0.06950
36 13F+2 0.00000 0.03372 0.00000 0.00000 0.00000
37 13F-2 0.00000 -0.03502 0.00000 0.00000 0.00000
38 13F+3 -0.00736 0.00000 -0.02706 0.05958 0.00347
39 13F-3 0.00116 0.00000 -0.00721 0.09659 0.03101
40 14F 0 0.00000 -0.45732 0.00000 0.00000 0.00000
41 14F+1 0.60573 0.00000 0.56511 -0.08534 -0.19847
42 14F-1 0.45088 0.00000 0.23514 -0.66796 1.18805
43 14F+2 0.00000 0.45321 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.55304 0.00000 0.00000 0.00000
45 14F+3 0.02664 0.00000 -0.53543 0.21316 1.07593
46 14F-3 0.02637 0.00000 0.95672 1.36696 0.72644
47 2 O 1S -0.02983 0.00000 -0.04953 -0.07131 -0.04729
48 2S 0.06753 0.00000 0.01902 0.18241 0.10029
49 3S 0.01200 0.00000 -0.01035 0.05022 0.03383
50 4S -0.56016 0.00000 -2.41329 -3.28089 -5.12069
51 5S 0.47865 0.00000 -2.10773 0.81621 -2.59413
52 6PX -0.10038 0.00000 0.14669 -0.03485 -0.02854
53 6PY 0.05581 0.00000 0.07097 0.02462 0.08743
54 6PZ 0.00000 -0.07263 0.00000 0.00000 0.00000
55 7PX -0.23097 0.00000 0.36675 -0.14437 -0.03983
56 7PY 0.05246 0.00000 0.00498 -0.48155 -0.17099
57 7PZ 0.00000 -0.26343 0.00000 0.00000 0.00000
58 8PX 0.39047 0.00000 -3.30954 0.91043 3.07667
59 8PY 1.33595 0.00000 0.90227 1.86101 -1.78336
60 8PZ 0.00000 2.72887 0.00000 0.00000 0.00000
61 9PX 0.22569 0.00000 -0.63826 0.04118 0.67111
62 9PY 0.57637 0.00000 -0.00741 0.79118 -0.15407
63 9PZ 0.00000 0.45050 0.00000 0.00000 0.00000
64 10D 0 -0.00301 0.00000 0.00952 0.01359 -0.00244
65 10D+1 0.00000 -0.00062 0.00000 0.00000 0.00000
66 10D-1 0.00000 -0.01544 0.00000 0.00000 0.00000
67 10D+2 0.00606 0.00000 0.00534 0.00962 -0.00620
68 10D-2 -0.00502 0.00000 0.01852 -0.00319 -0.01591
69 11D 0 0.02828 0.00000 -0.04592 0.04281 0.01023
70 11D+1 0.00000 -0.01348 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.11522 0.00000 0.00000 0.00000
72 11D+2 -0.05049 0.00000 -0.03383 0.05938 0.09670
73 11D-2 0.06690 0.00000 -0.19474 0.03124 0.10023
74 12D 0 -0.51217 0.00000 -0.21330 -1.63063 0.72881
75 12D+1 0.00000 0.54406 0.00000 0.00000 0.00000
76 12D-1 0.00000 1.64659 0.00000 0.00000 0.00000
77 12D+2 -0.60248 0.00000 -0.58584 -0.78763 -0.00631
78 12D-2 -0.55296 0.00000 -1.06631 0.55801 1.36698
79 13F 0 0.00000 0.00870 0.00000 0.00000 0.00000
80 13F+1 -0.00125 0.00000 0.00149 0.00137 0.00404
81 13F-1 -0.00043 0.00000 -0.00339 0.03175 -0.01648
82 13F+2 0.00000 0.01170 0.00000 0.00000 0.00000
83 13F-2 0.00000 -0.01274 0.00000 0.00000 0.00000
84 13F+3 -0.00754 0.00000 -0.00768 0.00029 0.01316
85 13F-3 0.00337 0.00000 -0.00457 0.00265 -0.00165
86 14F 0 0.00000 -0.15440 0.00000 0.00000 0.00000
87 14F+1 0.01427 0.00000 0.02297 -0.03599 -0.04139
88 14F-1 -0.02035 0.00000 -0.05368 -0.20449 0.08536
89 14F+2 0.00000 -0.18749 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.06831 0.00000 0.00000 0.00000
91 14F+3 0.05647 0.00000 0.14362 -0.08599 -0.12808
92 14F-3 -0.06537 0.00000 -0.04801 -0.01091 0.03508
93 3 H 1S 0.04549 0.00000 0.03275 0.07093 0.00064
94 2S 0.48581 0.00000 -2.56893 -4.06255 -1.85059
95 3S 3.90320 0.00000 2.29720 -4.64832 -6.41580
96 4S 0.40369 0.00000 -0.11645 -0.16625 -0.61577
97 5PX 0.00367 0.00000 -0.00469 -0.01395 -0.00057
98 5PY -0.02922 0.00000 0.00958 0.01246 0.02662
99 5PZ 0.00000 -0.01809 0.00000 0.00000 0.00000
100 6PX 0.01500 0.00000 -0.65907 -1.57947 -0.67051
101 6PY 0.35822 0.00000 0.46013 0.80773 -0.24027
102 6PZ 0.00000 0.24065 0.00000 0.00000 0.00000
103 7PX 0.90041 0.00000 -0.38198 -1.37887 -0.93155
104 7PY 1.28943 0.00000 -2.59858 0.67053 0.75135
105 7PZ 0.00000 0.56047 0.00000 0.00000 0.00000
106 8D 0 -0.00736 0.00000 -0.01746 0.05399 0.03733
107 8D+1 0.00000 -0.01961 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.01020 0.00000 0.00000 0.00000
109 8D+2 -0.01862 0.00000 0.01084 -0.06362 -0.02567
110 8D-2 -0.00804 0.00000 0.03380 0.08081 0.02851
111 9D 0 0.52733 0.00000 0.49998 -0.00946 -0.89636
112 9D+1 0.00000 0.78138 0.00000 0.00000 0.00000
113 9D-1 0.00000 -0.17570 0.00000 0.00000 0.00000
114 9D+2 0.44764 0.00000 -0.89884 -0.14953 -0.23179
115 9D-2 0.57872 0.00000 -0.31492 0.41165 -0.12170
51 52 53 54 55
V V V V V
Eigenvalues -- 1.30890 1.33963 1.40671 1.40894 1.49133
1 1 C 1S 0.00000 -0.01349 0.02230 0.00000 0.00000
2 2S 0.00000 -0.13424 -0.59995 0.00000 0.00000
3 3S 0.00000 -0.12271 -0.46024 0.00000 0.00000
4 4S 0.00000 -6.56425 -1.40096 0.00000 0.00000
5 5S 0.00000 -1.72278 -0.27301 0.00000 0.00000
6 6PX 0.00000 0.08319 0.05312 0.00000 0.00000
7 6PY 0.00000 0.03483 0.24943 0.00000 0.00000
8 6PZ -0.03910 0.00000 0.00000 0.16319 0.17237
9 7PX 0.00000 0.86718 -0.76621 0.00000 0.00000
10 7PY 0.00000 0.75621 1.47158 0.00000 0.00000
11 7PZ -0.46259 0.00000 0.00000 1.19449 0.31224
12 8PX 0.00000 7.96927 -0.30154 0.00000 0.00000
13 8PY 0.00000 -2.78519 1.61758 0.00000 0.00000
14 8PZ -1.47397 0.00000 0.00000 3.70738 1.59510
15 9PX 0.00000 0.72467 -0.25080 0.00000 0.00000
16 9PY 0.00000 -0.27428 0.02886 0.00000 0.00000
17 9PZ 0.01638 0.00000 0.00000 0.30901 -0.08314
18 10D 0 0.00000 -0.01078 -0.06095 0.00000 0.00000
19 10D+1 0.00382 0.00000 0.00000 0.02397 0.01149
20 10D-1 0.00844 0.00000 0.00000 -0.01916 0.00532
21 10D+2 0.00000 0.00527 -0.01876 0.00000 0.00000
22 10D-2 0.00000 -0.02366 -0.03528 0.00000 0.00000
23 11D 0 0.00000 0.33480 -0.29597 0.00000 0.00000
24 11D+1 -0.05548 0.00000 0.00000 -1.02378 -0.02610
25 11D-1 1.26929 0.00000 0.00000 -1.75357 -0.20886
26 11D+2 0.00000 0.25936 0.02859 0.00000 0.00000
27 11D-2 0.00000 -2.26327 -0.17627 0.00000 0.00000
28 12D 0 0.00000 0.15178 -0.33848 0.00000 0.00000
29 12D+1 0.12897 0.00000 0.00000 -0.86605 0.21489
30 12D-1 0.26038 0.00000 0.00000 -0.63543 -0.03047
31 12D+2 0.00000 -1.87436 -0.24449 0.00000 0.00000
32 12D-2 0.00000 -1.17394 0.17471 0.00000 0.00000
33 13F 0 0.00008 0.00000 0.00000 -0.01076 0.05069
34 13F+1 0.00000 0.06233 0.04053 0.00000 0.00000
35 13F-1 0.00000 -0.03733 0.00828 0.00000 0.00000
36 13F+2 0.12815 0.00000 0.00000 -0.05872 0.11292
37 13F-2 -0.05648 0.00000 0.00000 -0.06126 0.04158
38 13F+3 0.00000 -0.12384 0.05727 0.00000 0.00000
39 13F-3 0.00000 0.02866 0.18984 0.00000 0.00000
40 14F 0 0.62074 0.00000 0.00000 -0.71189 -0.96405
41 14F+1 0.00000 -0.93850 0.01603 0.00000 0.00000
42 14F-1 0.00000 0.41376 0.20746 0.00000 0.00000
43 14F+2 -0.72654 0.00000 0.00000 -0.10930 -1.45962
44 14F-2 0.95609 0.00000 0.00000 1.01264 -1.29413
45 14F+3 0.00000 -0.46520 -0.07728 0.00000 0.00000
46 14F-3 0.00000 0.08537 -1.28909 0.00000 0.00000
47 2 O 1S 0.00000 -0.01793 -0.02297 0.00000 0.00000
48 2S 0.00000 0.05531 0.07795 0.00000 0.00000
49 3S 0.00000 0.00632 0.04552 0.00000 0.00000
50 4S 0.00000 -0.18453 1.82585 0.00000 0.00000
51 5S 0.00000 -0.44014 2.54443 0.00000 0.00000
52 6PX 0.00000 0.10949 0.00093 0.00000 0.00000
53 6PY 0.00000 -0.00424 0.05421 0.00000 0.00000
54 6PZ -0.03161 0.00000 0.00000 -0.05121 -0.11436
55 7PX 0.00000 0.33126 -0.01006 0.00000 0.00000
56 7PY 0.00000 -0.04620 -0.13672 0.00000 0.00000
57 7PZ -0.13937 0.00000 0.00000 -0.20097 -0.57783
58 8PX 0.00000 -5.72299 0.24736 0.00000 0.00000
59 8PY 0.00000 1.86605 2.11617 0.00000 0.00000
60 8PZ 1.93576 0.00000 0.00000 -2.94907 -1.15271
61 9PX 0.00000 -1.17998 0.22784 0.00000 0.00000
62 9PY 0.00000 0.16709 0.94122 0.00000 0.00000
63 9PZ 0.30479 0.00000 0.00000 -0.86335 -0.16142
64 10D 0 0.00000 -0.00166 0.00234 0.00000 0.00000
65 10D+1 -0.00780 0.00000 0.00000 -0.00670 0.00996
66 10D-1 -0.01476 0.00000 0.00000 0.03133 0.01832
67 10D+2 0.00000 0.00859 0.01828 0.00000 0.00000
68 10D-2 0.00000 0.03165 -0.00400 0.00000 0.00000
69 11D 0 0.00000 -0.00024 0.10194 0.00000 0.00000
70 11D+1 0.00090 0.00000 0.00000 -0.04041 0.04405
71 11D-1 0.08966 0.00000 0.00000 -0.09963 -0.03291
72 11D+2 0.00000 -0.04866 0.23656 0.00000 0.00000
73 11D-2 0.00000 -0.20916 0.03780 0.00000 0.00000
74 12D 0 0.00000 -0.49487 -0.16842 0.00000 0.00000
75 12D+1 0.52462 0.00000 0.00000 1.00600 -0.74226
76 12D-1 1.21506 0.00000 0.00000 -1.50902 -0.17723
77 12D+2 0.00000 -0.59230 -1.57702 0.00000 0.00000
78 12D-2 0.00000 -2.71761 0.18470 0.00000 0.00000
79 13F 0 0.00607 0.00000 0.00000 -0.01727 -0.00938
80 13F+1 0.00000 -0.00402 0.00100 0.00000 0.00000
81 13F-1 0.00000 -0.00310 0.00687 0.00000 0.00000
82 13F+2 0.00978 0.00000 0.00000 -0.01525 -0.01445
83 13F-2 -0.01787 0.00000 0.00000 -0.02229 0.02014
84 13F+3 0.00000 -0.02297 -0.00308 0.00000 0.00000
85 13F-3 0.00000 0.00607 0.04072 0.00000 0.00000
86 14F 0 -0.11442 0.00000 0.00000 0.17043 -0.01244
87 14F+1 0.00000 0.06292 -0.02823 0.00000 0.00000
88 14F-1 0.00000 0.00053 0.02625 0.00000 0.00000
89 14F+2 -0.17793 0.00000 0.00000 0.17879 0.00090
90 14F-2 0.10766 0.00000 0.00000 0.12961 -0.12779
91 14F+3 0.00000 0.33484 -0.05294 0.00000 0.00000
92 14F-3 0.00000 -0.06258 -0.13191 0.00000 0.00000
93 3 H 1S 0.00000 0.01333 -0.04960 0.00000 0.00000
94 2S 0.00000 0.30996 -0.52624 0.00000 0.00000
95 3S 0.00000 7.86035 -2.09083 0.00000 0.00000
96 4S 0.00000 0.59602 0.00547 0.00000 0.00000
97 5PX 0.00000 -0.01391 0.01976 0.00000 0.00000
98 5PY 0.00000 0.00262 0.02456 0.00000 0.00000
99 5PZ -0.02270 0.00000 0.00000 0.02866 0.05015
100 6PX 0.00000 -0.20452 -1.48581 0.00000 0.00000
101 6PY 0.00000 0.55041 0.28840 0.00000 0.00000
102 6PZ 0.46336 0.00000 0.00000 -0.43784 -1.08639
103 7PX 0.00000 0.67995 -0.55096 0.00000 0.00000
104 7PY 0.00000 -2.10245 -0.33277 0.00000 0.00000
105 7PZ -0.04737 0.00000 0.00000 -1.41831 -0.27632
106 8D 0 0.00000 0.00696 0.06604 0.00000 0.00000
107 8D+1 0.03125 0.00000 0.00000 0.00229 -0.01370
108 8D-1 -0.00355 0.00000 0.00000 -0.01966 0.01311
109 8D+2 0.00000 -0.01500 -0.02750 0.00000 0.00000
110 8D-2 0.00000 0.03427 0.11746 0.00000 0.00000
111 9D 0 0.00000 -0.30124 0.28467 0.00000 0.00000
112 9D+1 -0.91987 0.00000 0.00000 -0.21604 -0.70199
113 9D-1 -0.04406 0.00000 0.00000 1.04385 -0.73473
114 9D+2 0.00000 0.41769 -0.45786 0.00000 0.00000
115 9D-2 0.00000 0.35014 -0.64335 0.00000 0.00000
56 57 58 59 60
V V V V V
Eigenvalues -- 1.50889 1.56819 1.66460 1.84325 1.93031
1 1 C 1S -0.02070 -0.04244 -0.02245 0.00000 -0.02009
2 2S -0.25396 -0.00973 -0.18989 0.00000 0.21743
3 3S -0.45731 -0.16675 -0.38372 0.00000 0.05685
4 4S 13.54196 -3.10800 13.86884 0.00000 7.94916
5 5S 2.41463 0.62438 2.18191 0.00000 1.22445
6 6PX -0.17876 0.05136 -0.01117 0.00000 0.08433
7 6PY -0.08945 -0.23658 -0.01317 0.00000 0.01827
8 6PZ 0.00000 0.00000 0.00000 -0.21890 0.00000
9 7PX -1.77935 0.12992 0.25138 0.00000 1.23227
10 7PY 0.29537 -0.91590 -0.91104 0.00000 -1.77756
11 7PZ 0.00000 0.00000 0.00000 -0.17600 0.00000
12 8PX -7.43810 6.14086 -3.09635 0.00000 -2.01403
13 8PY 2.26781 -10.42084 1.61849 0.00000 1.25651
14 8PZ 0.00000 0.00000 0.00000 -0.91401 0.00000
15 9PX -0.44912 0.10238 0.00624 0.00000 -0.11100
16 9PY 0.10101 -0.41302 0.22583 0.00000 0.01829
17 9PZ 0.00000 0.00000 0.00000 0.02516 0.00000
18 10D 0 -0.00334 0.00475 -0.03837 0.00000 -0.01120
19 10D+1 0.00000 0.00000 0.00000 -0.03259 0.00000
20 10D-1 0.00000 0.00000 0.00000 -0.03231 0.00000
21 10D+2 -0.01600 0.01085 -0.01069 0.00000 -0.00321
22 10D-2 -0.02424 0.00829 -0.04915 0.00000 0.03917
23 11D 0 -1.94836 -0.57187 -1.61344 0.00000 -0.26503
24 11D+1 0.00000 0.00000 0.00000 1.85346 0.00000
25 11D-1 0.00000 0.00000 0.00000 -2.59819 0.00000
26 11D+2 0.88241 -1.54178 -0.68983 0.00000 -3.44207
27 11D-2 -1.45714 0.92462 -3.26539 0.00000 0.87182
28 12D 0 -0.94683 -0.25437 -0.85393 0.00000 -0.07886
29 12D+1 0.00000 0.00000 0.00000 0.71375 0.00000
30 12D-1 0.00000 0.00000 0.00000 -1.07292 0.00000
31 12D+2 0.75071 -1.86694 0.26517 0.00000 -0.74479
32 12D-2 -0.43428 1.01038 -1.85586 0.00000 0.50011
33 13F 0 0.00000 0.00000 0.00000 -0.01866 0.00000
34 13F+1 0.01294 0.01140 0.03613 0.00000 -0.04761
35 13F-1 0.02068 0.05537 0.02536 0.00000 0.11106
36 13F+2 0.00000 0.00000 0.00000 -0.02567 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00651 0.00000
38 13F+3 -0.05658 0.07988 -0.00102 0.00000 -0.04217
39 13F-3 0.15362 0.09630 0.16609 0.00000 0.09070
40 14F 0 0.00000 0.00000 0.00000 0.30145 0.00000
41 14F+1 1.04457 -0.33212 0.23235 0.00000 0.25460
42 14F-1 -0.49564 0.98184 -0.18966 0.00000 -0.74840
43 14F+2 0.00000 0.00000 0.00000 -0.92270 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.94839 0.00000
45 14F+3 0.73001 -1.14748 -0.64896 0.00000 2.71465
46 14F-3 0.25321 -0.35136 0.78146 0.00000 -0.49875
47 2 O 1S 0.00687 -0.01129 -0.01876 0.00000 -0.01610
48 2S 0.00994 0.26261 0.14559 0.00000 0.38996
49 3S 0.01213 0.07581 0.06434 0.00000 0.15672
50 4S -1.73988 -7.50871 -5.35970 0.00000 -5.62270
51 5S 0.65552 -5.64927 -2.34521 0.00000 -2.33744
52 6PX 0.04973 0.01358 -0.11760 0.00000 0.05406
53 6PY -0.07231 -0.13478 0.00379 0.00000 0.00073
54 6PZ 0.00000 0.00000 0.00000 -0.05826 0.00000
55 7PX 0.19539 -0.04245 -0.55346 0.00000 0.50262
56 7PY -0.40797 -0.99213 -0.50333 0.00000 -0.64528
57 7PZ 0.00000 0.00000 0.00000 -0.31356 0.00000
58 8PX 0.59404 -1.13578 -1.94743 0.00000 2.96186
59 8PY -0.03534 0.20277 -2.61319 0.00000 -3.45842
60 8PZ 0.00000 0.00000 0.00000 -2.40165 0.00000
61 9PX 0.15509 0.18676 -0.65614 0.00000 0.42021
62 9PY 0.47792 -0.83752 -0.51838 0.00000 -0.45260
63 9PZ 0.00000 0.00000 0.00000 -0.50867 0.00000
64 10D 0 0.00195 -0.00938 0.00431 0.00000 0.00574
65 10D+1 0.00000 0.00000 0.00000 -0.00338 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.03135 0.00000
67 10D+2 0.00565 0.00114 -0.00536 0.00000 -0.00688
68 10D-2 -0.00979 -0.00419 0.04162 0.00000 -0.01458
69 11D 0 -0.00386 -0.08973 0.03537 0.00000 0.19996
70 11D+1 0.00000 0.00000 0.00000 0.07527 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.03587 0.00000
72 11D+2 0.06665 -0.05821 0.13470 0.00000 -0.09024
73 11D-2 -0.00970 -0.01479 -0.02368 0.00000 0.11480
74 12D 0 -0.10613 -0.15994 0.32856 0.00000 0.05966
75 12D+1 0.00000 0.00000 0.00000 0.06327 0.00000
76 12D-1 0.00000 0.00000 0.00000 -1.40651 0.00000
77 12D+2 -0.39581 -1.06690 0.32322 0.00000 1.12440
78 12D-2 -0.31006 -0.21461 -1.07808 0.00000 0.91677
79 13F 0 0.00000 0.00000 0.00000 -0.02496 0.00000
80 13F+1 0.00764 0.00093 -0.00635 0.00000 -0.00211
81 13F-1 0.00554 -0.00336 0.00951 0.00000 0.02431
82 13F+2 0.00000 0.00000 0.00000 -0.00477 0.00000
83 13F-2 0.00000 0.00000 0.00000 -0.00607 0.00000
84 13F+3 0.00784 0.00060 -0.02562 0.00000 -0.00197
85 13F-3 0.01843 0.02048 0.00564 0.00000 0.00566
86 14F 0 0.00000 0.00000 0.00000 0.26111 0.00000
87 14F+1 -0.03297 -0.03209 0.06718 0.00000 0.02212
88 14F-1 -0.01434 -0.00065 -0.04217 0.00000 -0.13492
89 14F+2 0.00000 0.00000 0.00000 0.11183 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.08622 0.00000
91 14F+3 0.01541 -0.09327 0.24298 0.00000 0.02207
92 14F-3 -0.05524 -0.17371 0.08357 0.00000 -0.01151
93 3 H 1S 0.04697 -0.04805 0.16879 0.00000 -0.07669
94 2S -6.63445 3.48990 -5.76911 0.00000 1.64470
95 3S -11.35259 11.01758 -6.44379 0.00000 -3.37919
96 4S -0.61725 0.09076 -0.36898 0.00000 -0.19706
97 5PX -0.04295 -0.03209 -0.06174 0.00000 0.05360
98 5PY -0.00904 -0.04251 0.06673 0.00000 0.10359
99 5PZ 0.00000 0.00000 0.00000 -0.11819 0.00000
100 6PX -1.33286 0.81925 -0.60429 0.00000 -1.11943
101 6PY 1.62623 0.84648 -0.20209 0.00000 -4.18341
102 6PZ 0.00000 0.00000 0.00000 3.23456 0.00000
103 7PX -1.06148 1.78831 -0.67271 0.00000 -1.73515
104 7PY 2.48970 -1.44340 -0.22269 0.00000 -0.69500
105 7PZ 0.00000 0.00000 0.00000 2.01503 0.00000
106 8D 0 0.04512 -0.00552 0.03320 0.00000 -0.04827
107 8D+1 0.00000 0.00000 0.00000 0.03052 0.00000
108 8D-1 0.00000 0.00000 0.00000 -0.02450 0.00000
109 8D+2 -0.05393 -0.00626 -0.02253 0.00000 -0.05550
110 8D-2 0.09880 0.01253 0.06268 0.00000 -0.06832
111 9D 0 0.44512 0.40255 -0.64368 0.00000 0.11624
112 9D+1 0.00000 0.00000 0.00000 1.37503 0.00000
113 9D-1 0.00000 0.00000 0.00000 -1.04550 0.00000
114 9D+2 1.25105 0.07964 -0.33262 0.00000 -1.24357
115 9D-2 -0.28980 0.02857 -1.12533 0.00000 -1.14012
61 62 63 64 65
V V V V V
Eigenvalues -- 1.99040 2.19827 2.21731 2.28067 2.28338
1 1 C 1S -0.08983 0.01036 0.00000 0.00000 -0.00775
2 2S 1.08761 -0.11927 0.00000 0.00000 0.06285
3 3S 0.56398 -0.06026 0.00000 0.00000 0.07779
4 4S 11.06612 -1.51376 0.00000 0.00000 -1.68084
5 5S 2.12061 -0.03377 0.00000 0.00000 -1.00189
6 6PX -0.21843 0.09863 0.00000 0.00000 -0.02133
7 6PY 0.08459 0.02565 0.00000 0.00000 -0.05200
8 6PZ 0.00000 0.00000 0.18174 -0.08261 0.00000
9 7PX -2.12897 0.52838 0.00000 0.00000 -0.63166
10 7PY 3.22477 -0.84327 0.00000 0.00000 0.90696
11 7PZ 0.00000 0.00000 -0.20145 0.07975 0.00000
12 8PX -1.15657 0.44164 0.00000 0.00000 1.77198
13 8PY 2.07896 -0.40357 0.00000 0.00000 -1.77397
14 8PZ 0.00000 0.00000 0.07252 -0.70688 0.00000
15 9PX -0.08799 -0.08659 0.00000 0.00000 0.26432
16 9PY 0.17616 -0.01157 0.00000 0.00000 -0.24398
17 9PZ 0.00000 0.00000 -0.09318 -0.01636 0.00000
18 10D 0 0.09571 -0.00519 0.00000 0.00000 0.06135
19 10D+1 0.00000 0.00000 -0.01132 0.01814 0.00000
20 10D-1 0.00000 0.00000 0.05437 -0.01846 0.00000
21 10D+2 0.07878 -0.03443 0.00000 0.00000 0.01101
22 10D-2 0.00028 0.02569 0.00000 0.00000 0.00381
23 11D 0 -1.08863 0.34190 0.00000 0.00000 -0.25356
24 11D+1 0.00000 0.00000 -0.30702 0.09690 0.00000
25 11D-1 0.00000 0.00000 0.19992 -0.02461 0.00000
26 11D+2 0.39461 -0.23837 0.00000 0.00000 0.15633
27 11D-2 -2.99945 0.48599 0.00000 0.00000 -0.47576
28 12D 0 -0.15030 0.07687 0.00000 0.00000 0.40472
29 12D+1 0.00000 0.00000 -0.00771 0.60392 0.00000
30 12D-1 0.00000 0.00000 0.11984 -0.37672 0.00000
31 12D+2 -0.56753 -0.00562 0.00000 0.00000 -0.65575
32 12D-2 -0.89489 0.19504 0.00000 0.00000 0.35947
33 13F 0 0.00000 0.00000 0.01540 0.00166 0.00000
34 13F+1 0.00063 -0.01423 0.00000 0.00000 0.00623
35 13F-1 -0.07459 0.07271 0.00000 0.00000 -0.18110
36 13F+2 0.00000 0.00000 -0.01368 -0.00199 0.00000
37 13F-2 0.00000 0.00000 -0.04371 -0.12708 0.00000
38 13F+3 -0.03302 -0.01888 0.00000 0.00000 0.04875
39 13F-3 -0.08370 -0.01568 0.00000 0.00000 0.00971
40 14F 0 0.00000 0.00000 -0.43659 0.34001 0.00000
41 14F+1 -0.02163 -0.49396 0.00000 0.00000 -0.32633
42 14F-1 -0.05126 -0.05073 0.00000 0.00000 0.56323
43 14F+2 0.00000 0.00000 0.43918 -0.01519 0.00000
44 14F-2 0.00000 0.00000 -0.16311 0.36442 0.00000
45 14F+3 -0.31768 0.37718 0.00000 0.00000 -0.59068
46 14F-3 0.59525 -0.17253 0.00000 0.00000 0.21436
47 2 O 1S 0.00527 -0.00296 0.00000 0.00000 0.00512
48 2S -0.15164 0.16882 0.00000 0.00000 -0.41586
49 3S -0.10377 0.07222 0.00000 0.00000 -0.16702
50 4S 0.78922 -0.68033 0.00000 0.00000 0.52308
51 5S -0.44678 -0.45916 0.00000 0.00000 0.50607
52 6PX -0.01490 0.01160 0.00000 0.00000 -0.02150
53 6PY -0.02992 0.02146 0.00000 0.00000 -0.06487
54 6PZ 0.00000 0.00000 0.01094 0.01796 0.00000
55 7PX -0.19171 0.06435 0.00000 0.00000 -0.09758
56 7PY 0.38045 -0.06956 0.00000 0.00000 -0.00617
57 7PZ 0.00000 0.00000 0.03164 0.04577 0.00000
58 8PX -2.29227 0.39943 0.00000 0.00000 -0.97842
59 8PY 1.12112 -0.69009 0.00000 0.00000 1.53491
60 8PZ 0.00000 0.00000 0.28035 0.06208 0.00000
61 9PX -0.54021 0.14459 0.00000 0.00000 -0.10167
62 9PY -0.06418 -0.12303 0.00000 0.00000 0.31890
63 9PZ 0.00000 0.00000 0.14668 -0.14065 0.00000
64 10D 0 0.00208 -0.00062 0.00000 0.00000 0.00059
65 10D+1 0.00000 0.00000 0.00143 0.00335 0.00000
66 10D-1 0.00000 0.00000 -0.00669 0.00075 0.00000
67 10D+2 0.00708 -0.00122 0.00000 0.00000 -0.00313
68 10D-2 0.02050 -0.00284 0.00000 0.00000 0.00186
69 11D 0 -0.33633 -0.18242 0.00000 0.00000 0.97359
70 11D+1 0.00000 0.00000 0.43469 1.16347 0.00000
71 11D-1 0.00000 0.00000 -0.23284 0.11688 0.00000
72 11D+2 -0.38027 0.20240 0.00000 0.00000 -0.58848
73 11D-2 -0.01257 -0.05325 0.00000 0.00000 -0.09930
74 12D 0 -0.17129 0.22924 0.00000 0.00000 -0.91932
75 12D+1 0.00000 0.00000 -0.32156 -0.76102 0.00000
76 12D-1 0.00000 0.00000 0.36429 -0.05443 0.00000
77 12D+2 -0.21181 0.13712 0.00000 0.00000 -0.14290
78 12D-2 -1.21060 0.21713 0.00000 0.00000 -0.34656
79 13F 0 0.00000 0.00000 -0.08603 0.03331 0.00000
80 13F+1 -0.01340 -0.12229 0.00000 0.00000 -0.03016
81 13F-1 -0.01382 0.00227 0.00000 0.00000 0.00905
82 13F+2 0.00000 0.00000 0.08135 -0.03153 0.00000
83 13F-2 0.00000 0.00000 0.01574 0.04433 0.00000
84 13F+3 -0.01539 0.03337 0.00000 0.00000 0.01187
85 13F-3 -0.00925 0.01238 0.00000 0.00000 -0.04949
86 14F 0 0.00000 0.00000 0.75988 -0.30385 0.00000
87 14F+1 0.12314 1.07298 0.00000 0.00000 0.26129
88 14F-1 -0.10712 0.03208 0.00000 0.00000 -0.09267
89 14F+2 0.00000 0.00000 -0.71649 0.27995 0.00000
90 14F-2 0.00000 0.00000 -0.11780 -0.32268 0.00000
91 14F+3 0.22356 -0.28494 0.00000 0.00000 -0.12669
92 14F-3 -0.21777 -0.03001 0.00000 0.00000 0.30125
93 3 H 1S -0.28667 -0.12937 0.00000 0.00000 -0.01249
94 2S -5.89862 1.78614 0.00000 0.00000 -0.32896
95 3S -9.53433 1.47389 0.00000 0.00000 1.89602
96 4S -0.62495 0.04039 0.00000 0.00000 0.27283
97 5PX 0.13130 0.00288 0.00000 0.00000 -0.00394
98 5PY -0.06375 0.01525 0.00000 0.00000 0.01276
99 5PZ 0.00000 0.00000 0.03566 -0.01144 0.00000
100 6PX -3.81095 0.52408 0.00000 0.00000 -0.39497
101 6PY 2.17383 -0.72577 0.00000 0.00000 1.04344
102 6PZ 0.00000 0.00000 -0.62815 0.38128 0.00000
103 7PX -3.24752 0.50852 0.00000 0.00000 -0.16703
104 7PY 1.27701 -0.34947 0.00000 0.00000 0.32617
105 7PZ 0.00000 0.00000 -0.07284 0.74621 0.00000
106 8D 0 0.02673 -0.00516 0.00000 0.00000 0.02156
107 8D+1 0.00000 0.00000 0.00569 -0.00959 0.00000
108 8D-1 0.00000 0.00000 -0.01367 -0.00367 0.00000
109 8D+2 -0.01263 0.00141 0.00000 0.00000 -0.02861
110 8D-2 0.02713 -0.02105 0.00000 0.00000 0.02228
111 9D 0 0.64384 -0.32560 0.00000 0.00000 0.08707
112 9D+1 0.00000 0.00000 0.05449 0.11184 0.00000
113 9D-1 0.00000 0.00000 0.19687 0.15641 0.00000
114 9D+2 -0.76374 0.13092 0.00000 0.00000 0.12804
115 9D-2 1.10429 -0.21555 0.00000 0.00000 0.44123
66 67 68 69 70
V V V V V
Eigenvalues -- 2.42353 2.42467 2.47179 2.54247 2.64673
1 1 C 1S 0.00000 -0.03506 0.04379 -0.02325 0.00000
2 2S 0.00000 0.44624 0.03999 0.03599 0.00000
3 3S 0.00000 0.24119 0.68198 -0.05644 0.00000
4 4S 0.00000 6.75629 -1.94284 4.23692 0.00000
5 5S 0.00000 1.39443 -0.69333 0.88489 0.00000
6 6PX 0.00000 0.20439 0.08063 -0.01150 0.00000
7 6PY 0.00000 0.17486 0.14762 -0.22813 0.00000
8 6PZ -0.26300 0.00000 0.00000 0.00000 -0.69278
9 7PX 0.00000 -2.18558 0.26445 -1.60114 0.00000
10 7PY 0.00000 1.01649 0.57670 1.23682 0.00000
11 7PZ 1.30687 0.00000 0.00000 0.00000 -0.48979
12 8PX 0.00000 -2.40067 -1.17945 -1.30854 0.00000
13 8PY 0.00000 2.71261 4.05874 0.34576 0.00000
14 8PZ 0.89585 0.00000 0.00000 0.00000 -0.42916
15 9PX 0.00000 -0.26586 -0.02591 -0.08134 0.00000
16 9PY 0.00000 0.29597 0.37328 0.14892 0.00000
17 9PZ 0.23776 0.00000 0.00000 0.00000 0.17533
18 10D 0 0.00000 -0.06208 -0.04412 0.06592 0.00000
19 10D+1 -0.02530 0.00000 0.00000 0.00000 -0.00260
20 10D-1 -0.12177 0.00000 0.00000 0.00000 -0.16346
21 10D+2 0.00000 -0.00147 -0.07008 0.07541 0.00000
22 10D-2 0.00000 0.07592 -0.00001 -0.02042 0.00000
23 11D 0 0.00000 -0.06793 0.55065 -1.39804 0.00000
24 11D+1 -0.55010 0.00000 0.00000 0.00000 -1.20224
25 11D-1 0.88680 0.00000 0.00000 0.00000 2.31241
26 11D+2 0.00000 1.28981 1.20490 -1.10521 0.00000
27 11D-2 0.00000 -1.50689 0.15167 -0.82944 0.00000
28 12D 0 0.00000 -0.17550 0.20178 -0.42835 0.00000
29 12D+1 -0.29099 0.00000 0.00000 0.00000 -0.22338
30 12D-1 0.21432 0.00000 0.00000 0.00000 0.32844
31 12D+2 0.00000 0.41297 0.75629 -0.35462 0.00000
32 12D-2 0.00000 -0.91114 -0.32266 -0.54973 0.00000
33 13F 0 -0.07024 0.00000 0.00000 0.00000 0.25313
34 13F+1 0.00000 0.09515 -0.01852 0.12279 0.00000
35 13F-1 0.00000 -0.00536 -0.11706 -0.16043 0.00000
36 13F+2 -0.12688 0.00000 0.00000 0.00000 0.17477
37 13F-2 0.01198 0.00000 0.00000 0.00000 0.05064
38 13F+3 0.00000 0.15240 -0.02674 0.10265 0.00000
39 13F-3 0.00000 0.19310 -0.18472 -0.06559 0.00000
40 14F 0 0.00617 0.00000 0.00000 0.00000 -0.28850
41 14F+1 0.00000 -0.01611 0.01238 -0.15004 0.00000
42 14F-1 0.00000 -0.40699 0.10181 0.83283 0.00000
43 14F+2 0.74341 0.00000 0.00000 0.00000 0.34747
44 14F-2 -0.49098 0.00000 0.00000 0.00000 -0.19289
45 14F+3 0.00000 -1.01192 0.07739 0.06460 0.00000
46 14F-3 0.00000 0.06748 0.09534 0.74828 0.00000
47 2 O 1S 0.00000 -0.00533 0.01753 0.00935 0.00000
48 2S 0.00000 0.49737 0.17764 -1.04411 0.00000
49 3S 0.00000 0.18161 0.02493 -0.43003 0.00000
50 4S 0.00000 0.79552 3.86409 -0.66588 0.00000
51 5S 0.00000 -0.17308 2.50139 -0.19858 0.00000
52 6PX 0.00000 -0.08062 0.00453 -0.05726 0.00000
53 6PY 0.00000 0.09849 0.09707 -0.14575 0.00000
54 6PZ 0.08354 0.00000 0.00000 0.00000 0.02877
55 7PX 0.00000 -0.24775 0.00817 -0.07267 0.00000
56 7PY 0.00000 0.29706 0.62961 -0.23583 0.00000
57 7PZ 0.18427 0.00000 0.00000 0.00000 0.16228
58 8PX 0.00000 -0.74025 0.15609 0.49849 0.00000
59 8PY 0.00000 -0.42111 0.01331 1.00794 0.00000
60 8PZ 0.18626 0.00000 0.00000 0.00000 2.40434
61 9PX 0.00000 0.09779 -0.09677 0.15737 0.00000
62 9PY 0.00000 -0.30996 -0.10370 0.06307 0.00000
63 9PZ -0.38617 0.00000 0.00000 0.00000 0.10401
64 10D 0 0.00000 0.00431 -0.01177 -0.00344 0.00000
65 10D+1 0.00099 0.00000 0.00000 0.00000 0.00068
66 10D-1 0.01256 0.00000 0.00000 0.00000 -0.01309
67 10D+2 0.00000 0.00459 -0.01918 -0.00068 0.00000
68 10D-2 0.00000 -0.01115 0.00041 -0.00898 0.00000
69 11D 0 0.00000 -0.18181 -0.54473 -0.06962 0.00000
70 11D+1 -0.05954 0.00000 0.00000 0.00000 0.13403
71 11D-1 0.91145 0.00000 0.00000 0.00000 0.85468
72 11D+2 0.00000 -0.26062 -0.82592 0.25932 0.00000
73 11D-2 0.00000 -0.83401 -0.03780 -0.26340 0.00000
74 12D 0 0.00000 0.07725 0.97249 0.26037 0.00000
75 12D+1 -0.12963 0.00000 0.00000 0.00000 0.15899
76 12D-1 -0.99707 0.00000 0.00000 0.00000 1.25238
77 12D+2 0.00000 0.35632 1.36498 -0.87439 0.00000
78 12D-2 0.00000 0.77030 0.07955 0.84620 0.00000
79 13F 0 -0.07116 0.00000 0.00000 0.00000 0.02885
80 13F+1 0.00000 0.02502 -0.00223 0.00989 0.00000
81 13F-1 0.00000 0.03523 -0.09582 -0.08252 0.00000
82 13F+2 -0.04676 0.00000 0.00000 0.00000 0.05978
83 13F-2 0.00975 0.00000 0.00000 0.00000 -0.04468
84 13F+3 0.00000 0.06544 -0.00869 0.04966 0.00000
85 13F-3 0.00000 0.00420 -0.08941 0.00223 0.00000
86 14F 0 0.76228 0.00000 0.00000 0.00000 -0.62734
87 14F+1 0.00000 -0.26877 0.03081 -0.13533 0.00000
88 14F-1 0.00000 -0.37272 0.85780 0.68974 0.00000
89 14F+2 0.54867 0.00000 0.00000 0.00000 -1.06685
90 14F-2 -0.13574 0.00000 0.00000 0.00000 0.50142
91 14F+3 0.00000 -0.74486 0.11927 -0.65124 0.00000
92 14F-3 0.00000 0.04011 0.75074 -0.26895 0.00000
93 3 H 1S 0.00000 0.22199 0.00058 0.36686 0.00000
94 2S 0.00000 -4.13090 0.22821 -3.49126 0.00000
95 3S 0.00000 -6.05757 -2.55028 -2.29342 0.00000
96 4S 0.00000 -0.44885 -0.02926 -0.24403 0.00000
97 5PX 0.00000 -0.04118 0.03022 -0.01950 0.00000
98 5PY 0.00000 0.02639 0.01879 0.03116 0.00000
99 5PZ 0.01912 0.00000 0.00000 0.00000 -0.06538
100 6PX 0.00000 -1.06368 0.37593 -1.58775 0.00000
101 6PY 0.00000 1.57997 -0.12383 0.03748 0.00000
102 6PZ -1.22219 0.00000 0.00000 0.00000 -1.43392
103 7PX 0.00000 -1.32758 -0.41774 -0.80415 0.00000
104 7PY 0.00000 0.60378 0.29924 -0.48195 0.00000
105 7PZ -0.77458 0.00000 0.00000 0.00000 -0.76389
106 8D 0 0.00000 0.06832 -0.02546 0.04709 0.00000
107 8D+1 -0.00301 0.00000 0.00000 0.00000 -0.02413
108 8D-1 0.02524 0.00000 0.00000 0.00000 -0.00504
109 8D+2 0.00000 0.00377 0.03665 0.02136 0.00000
110 8D-2 0.00000 0.06315 -0.00290 0.05665 0.00000
111 9D 0 0.00000 -0.00285 -0.15169 -0.22072 0.00000
112 9D+1 -0.46699 0.00000 0.00000 0.00000 -0.71108
113 9D-1 0.36240 0.00000 0.00000 0.00000 0.45896
114 9D+2 0.00000 -0.04918 0.10808 -0.86383 0.00000
115 9D-2 0.00000 0.27889 0.04151 0.05818 0.00000
71 72 73 74 75
V V V V V
Eigenvalues -- 2.68149 2.68814 2.75830 2.84053 3.00353
1 1 C 1S 0.00000 -0.05175 -0.02437 0.04391 -0.01095
2 2S 0.00000 1.04283 0.43022 0.26437 1.20515
3 3S 0.00000 0.74102 0.46807 0.39558 1.09353
4 4S 0.00000 13.09036 8.45412 -2.43567 3.26600
5 5S 0.00000 3.42450 1.68622 1.01594 0.70360
6 6PX 0.00000 0.44391 0.33106 -0.03246 -0.19638
7 6PY 0.00000 0.49632 0.11457 0.27757 0.37123
8 6PZ 0.25284 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 0.66619 0.18519 0.23939 -0.67850
10 7PY 0.00000 -4.16049 -2.24457 -3.72765 -2.91641
11 7PZ 0.24710 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 -1.34371 -2.25453 -0.25913 -2.10141
13 8PY 0.00000 -2.47990 0.26756 -3.15664 -1.36876
14 8PZ 0.36435 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 -0.32725 -0.08848 -0.42868 -0.11801
16 9PY 0.00000 -0.16470 -0.02612 -0.10231 -0.13066
17 9PZ 0.07920 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00000 -0.08476 -0.09909 0.05280 0.03837
19 10D+1 0.03633 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.03848 0.00000 0.00000 0.00000 0.00000
21 10D+2 0.00000 -0.01582 0.00204 -0.04332 0.12079
22 10D-2 0.00000 0.09875 0.02602 -0.11544 -0.04897
23 11D 0 0.00000 -1.39807 0.16746 0.53191 0.45214
24 11D+1 -1.19561 0.00000 0.00000 0.00000 0.00000
25 11D-1 -0.53547 0.00000 0.00000 0.00000 0.00000
26 11D+2 0.00000 -0.31472 -2.46955 -0.62650 -0.88348
27 11D-2 0.00000 -1.52475 -0.21572 3.54804 3.14217
28 12D 0 0.00000 -0.67290 -0.32232 0.20897 0.19474
29 12D+1 -0.25406 0.00000 0.00000 0.00000 0.00000
30 12D-1 -0.20863 0.00000 0.00000 0.00000 0.00000
31 12D+2 0.00000 -0.13482 -0.40349 0.17750 0.58325
32 12D-2 0.00000 -0.77530 -0.44474 1.17661 1.18354
33 13F 0 -0.08687 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 -0.09937 -0.02362 -0.23576 0.32683
35 13F-1 0.00000 0.11209 -0.02707 0.24378 0.00319
36 13F+2 -0.02678 0.00000 0.00000 0.00000 0.00000
37 13F-2 -0.04074 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 -0.12499 -0.04935 0.14680 0.03366
39 13F-3 0.00000 0.11484 -0.22322 -0.29477 0.35066
40 14F 0 0.20900 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.18609 0.15254 0.13252 -0.26940
42 14F-1 0.00000 0.38611 -0.60125 0.10085 0.13534
43 14F+2 0.30711 0.00000 0.00000 0.00000 0.00000
44 14F-2 1.37395 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 -0.53517 1.16015 0.23873 0.74855
46 14F-3 0.00000 0.21492 1.57172 -0.14459 -0.77606
47 2 O 1S 0.00000 -0.01204 0.01286 -0.00445 -0.01596
48 2S 0.00000 0.37180 -0.45399 0.38728 0.30211
49 3S 0.00000 0.23029 -0.17554 0.20144 0.19411
50 4S 0.00000 -8.70539 -4.97177 -3.93464 -3.47632
51 5S 0.00000 -5.74165 -2.21028 -2.94183 -1.96199
52 6PX 0.00000 -0.04343 0.02094 -0.00790 0.11983
53 6PY 0.00000 -0.06770 -0.15321 -0.01366 -0.00384
54 6PZ 0.03947 0.00000 0.00000 0.00000 0.00000
55 7PX 0.00000 -0.15604 0.12115 0.12344 0.17586
56 7PY 0.00000 -0.75228 -0.49727 -0.25246 -0.38838
57 7PZ 0.05027 0.00000 0.00000 0.00000 0.00000
58 8PX 0.00000 -1.84766 1.06703 3.59713 3.70084
59 8PY 0.00000 -4.80674 -2.62604 -3.06645 -3.07278
60 8PZ -0.49633 0.00000 0.00000 0.00000 0.00000
61 9PX 0.00000 -0.16459 0.00253 0.77769 0.42839
62 9PY 0.00000 -0.90626 -0.26652 -0.61769 -0.47470
63 9PZ -0.20826 0.00000 0.00000 0.00000 0.00000
64 10D 0 0.00000 -0.00562 -0.01435 -0.00658 0.00409
65 10D+1 0.00108 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00105 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00000 -0.01163 -0.01669 -0.00864 0.00349
68 10D-2 0.00000 0.00826 -0.00495 -0.00502 -0.00606
69 11D 0 0.00000 0.60273 -0.15735 0.34029 0.18385
70 11D+1 0.40515 0.00000 0.00000 0.00000 0.00000
71 11D-1 -0.12755 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00000 0.72231 0.71337 0.32653 0.41918
73 11D-2 0.00000 -0.66650 -0.12831 0.68669 1.00275
74 12D 0 0.00000 0.75925 -0.45250 0.46427 0.53298
75 12D+1 1.10282 0.00000 0.00000 0.00000 0.00000
76 12D-1 -0.41088 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00000 0.51432 1.09805 0.85277 0.78715
78 12D-2 0.00000 -0.77906 0.42793 1.92407 1.39428
79 13F 0 -0.01789 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 -0.00383 -0.00238 0.01390 0.00129
81 13F-1 0.00000 -0.02384 0.05261 -0.00446 0.01423
82 13F+2 -0.02920 0.00000 0.00000 0.00000 0.00000
83 13F-2 -0.12307 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 -0.04359 -0.01663 0.04818 0.02288
85 13F-3 0.00000 0.06375 -0.08574 0.00669 -0.00511
86 14F 0 0.25071 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.11649 0.01356 -0.34551 -0.04236
88 14F-1 0.00000 0.70954 -0.62439 0.38115 0.12590
89 14F+2 0.42200 0.00000 0.00000 0.00000 0.00000
90 14F-2 1.50588 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.76633 0.17758 -1.09801 -0.72847
92 14F-3 0.00000 -0.16132 1.19303 0.17539 0.43388
93 3 H 1S 0.00000 -0.13480 -0.08746 -0.95612 0.69683
94 2S 0.00000 -1.20021 -0.77627 6.62502 2.48243
95 3S 0.00000 -4.10091 -3.82607 3.51060 -1.23963
96 4S 0.00000 -0.57717 -0.29424 -0.15594 -0.15783
97 5PX 0.00000 0.00823 0.03801 0.17212 -0.11566
98 5PY 0.00000 -0.02400 0.03791 -0.14874 -0.06004
99 5PZ 0.05269 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.58541 -0.29639 2.38972 0.55107
101 6PY 0.00000 0.59586 -1.71804 -1.18021 -0.35824
102 6PZ 0.28609 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00000 -0.38043 -0.93352 1.38000 -0.33392
104 7PY 0.00000 0.49733 -0.00022 -0.16761 1.30878
105 7PZ -0.08094 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 -0.03660 -0.06171 -0.02428 -0.12611
107 8D+1 -0.00284 0.00000 0.00000 0.00000 0.00000
108 8D-1 -0.05591 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00280 0.02379 0.02717 -0.05807
110 8D-2 0.00000 -0.04125 -0.03773 -0.10755 -0.13424
111 9D 0 0.00000 -0.21568 -0.28098 -0.20051 0.22167
112 9D+1 0.22213 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.49102 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.48303 -0.39504 0.26597 0.16820
115 9D-2 0.00000 -0.20887 -0.15618 -0.25088 0.28646
76 77 78 79 80
V V V V V
Eigenvalues -- 3.02277 3.24115 3.25233 3.36297 3.42850
1 1 C 1S 0.00000 0.00000 0.09449 0.02193 0.00000
2 2S 0.00000 0.00000 0.43580 0.10418 0.00000
3 3S 0.00000 0.00000 0.44007 0.02496 0.00000
4 4S 0.00000 0.00000 -6.94314 -0.44553 0.00000
5 5S 0.00000 0.00000 -0.51303 0.33437 0.00000
6 6PX 0.00000 0.00000 -1.07046 -0.17914 0.00000
7 6PY 0.00000 0.00000 -0.02868 0.31815 0.00000
8 6PZ 1.06370 0.01577 0.00000 0.00000 -0.06254
9 7PX 0.00000 0.00000 6.06089 1.12649 0.00000
10 7PY 0.00000 0.00000 -3.51915 -1.73877 0.00000
11 7PZ -4.16978 -0.53576 0.00000 0.00000 0.07525
12 8PX 0.00000 0.00000 5.70050 0.69748 0.00000
13 8PY 0.00000 0.00000 -2.51487 -0.42340 0.00000
14 8PZ -3.25460 -0.26180 0.00000 0.00000 -0.09572
15 9PX 0.00000 0.00000 0.21718 0.07352 0.00000
16 9PY 0.00000 0.00000 0.01432 -0.08957 0.00000
17 9PZ -0.17513 -0.07518 0.00000 0.00000 0.01454
18 10D 0 0.00000 0.00000 0.33880 0.48534 0.00000
19 10D+1 0.10897 -0.88645 0.00000 0.00000 0.16174
20 10D-1 -0.18662 0.10043 0.00000 0.00000 -0.16291
21 10D+2 0.00000 0.00000 0.12121 -0.52765 0.00000
22 10D-2 0.00000 0.00000 0.26851 -0.26143 0.00000
23 11D 0 0.00000 0.00000 0.80888 0.00405 0.00000
24 11D+1 0.14784 0.88727 0.00000 0.00000 -0.25530
25 11D-1 3.07134 0.23210 0.00000 0.00000 0.66570
26 11D+2 0.00000 0.00000 -1.67949 0.44877 0.00000
27 11D-2 0.00000 0.00000 -0.48646 0.88180 0.00000
28 12D 0 0.00000 0.00000 0.52263 0.03720 0.00000
29 12D+1 0.17879 -0.19660 0.00000 0.00000 0.26711
30 12D-1 0.98154 0.22996 0.00000 0.00000 -0.17059
31 12D+2 0.00000 0.00000 -0.27713 -0.15720 0.00000
32 12D-2 0.00000 0.00000 -0.33630 -0.25664 0.00000
33 13F 0 0.00645 -0.32422 0.00000 0.00000 -0.52729
34 13F+1 0.00000 0.00000 -0.15259 0.49526 0.00000
35 13F-1 0.00000 0.00000 0.33806 -0.18853 0.00000
36 13F+2 0.09940 0.10638 0.00000 0.00000 0.79655
37 13F-2 -0.03683 -0.25173 0.00000 0.00000 0.46350
38 13F+3 0.00000 0.00000 -0.15891 0.36577 0.00000
39 13F-3 0.00000 0.00000 -0.01758 -0.24188 0.00000
40 14F 0 0.79435 0.29083 0.00000 0.00000 0.18364
41 14F+1 0.00000 0.00000 -0.40165 -0.29720 0.00000
42 14F-1 0.00000 0.00000 -0.16234 0.14951 0.00000
43 14F+2 0.84965 -0.18402 0.00000 0.00000 -0.43739
44 14F-2 0.08466 0.06041 0.00000 0.00000 -0.53584
45 14F+3 0.00000 0.00000 -0.33205 -0.36717 0.00000
46 14F-3 0.00000 0.00000 -0.26238 -0.26212 0.00000
47 2 O 1S 0.00000 0.00000 -0.02346 0.00451 0.00000
48 2S 0.00000 0.00000 0.20202 0.43962 0.00000
49 3S 0.00000 0.00000 0.14131 0.22790 0.00000
50 4S 0.00000 0.00000 -3.29386 -1.65452 0.00000
51 5S 0.00000 0.00000 -2.93617 -1.17893 0.00000
52 6PX 0.00000 0.00000 -0.10016 0.00599 0.00000
53 6PY 0.00000 0.00000 -0.01948 -0.09333 0.00000
54 6PZ 0.15262 -0.00029 0.00000 0.00000 0.03523
55 7PX 0.00000 0.00000 -0.06850 0.15379 0.00000
56 7PY 0.00000 0.00000 -0.26250 0.12473 0.00000
57 7PZ 0.20876 -0.07024 0.00000 0.00000 0.08314
58 8PX 0.00000 0.00000 -3.24791 -0.20072 0.00000
59 8PY 0.00000 0.00000 -3.25775 -1.61837 0.00000
60 8PZ 5.40768 0.66247 0.00000 0.00000 0.23686
61 9PX 0.00000 0.00000 -0.31451 -0.15508 0.00000
62 9PY 0.00000 0.00000 -0.96175 -0.14504 0.00000
63 9PZ 0.72328 0.17270 0.00000 0.00000 -0.08943
64 10D 0 0.00000 0.00000 0.00585 -0.01102 0.00000
65 10D+1 0.00020 0.00144 0.00000 0.00000 -0.00291
66 10D-1 -0.01259 0.00881 0.00000 0.00000 -0.01050
67 10D+2 0.00000 0.00000 0.02232 -0.01959 0.00000
68 10D-2 0.00000 0.00000 0.00604 -0.01674 0.00000
69 11D 0 0.00000 0.00000 0.14570 0.08259 0.00000
70 11D+1 -0.01598 -0.10087 0.00000 0.00000 0.12886
71 11D-1 1.22828 0.13930 0.00000 0.00000 0.17400
72 11D+2 0.00000 0.00000 0.41243 0.13230 0.00000
73 11D-2 0.00000 0.00000 -0.86608 0.10520 0.00000
74 12D 0 0.00000 0.00000 0.52736 0.42094 0.00000
75 12D+1 -0.00245 -0.10379 0.00000 0.00000 -0.35061
76 12D-1 2.44897 0.37657 0.00000 0.00000 0.18669
77 12D+2 0.00000 0.00000 1.20140 0.32868 0.00000
78 12D-2 0.00000 0.00000 -1.38123 0.01830 0.00000
79 13F 0 0.00482 0.01722 0.00000 0.00000 -0.03257
80 13F+1 0.00000 0.00000 0.00221 -0.00596 0.00000
81 13F-1 0.00000 0.00000 -0.00380 0.03803 0.00000
82 13F+2 0.00641 0.02504 0.00000 0.00000 -0.01549
83 13F-2 0.00630 -0.01383 0.00000 0.00000 -0.00661
84 13F+3 0.00000 0.00000 0.01964 -0.05578 0.00000
85 13F-3 0.00000 0.00000 -0.02944 0.01559 0.00000
86 14F 0 -0.63947 -0.25109 0.00000 0.00000 0.00870
87 14F+1 0.00000 0.00000 0.16151 0.01410 0.00000
88 14F-1 0.00000 0.00000 0.28238 -0.03171 0.00000
89 14F+2 -0.80897 -0.21256 0.00000 0.00000 -0.04934
90 14F-2 -0.04980 -0.13418 0.00000 0.00000 -0.00709
91 14F+3 0.00000 0.00000 0.56617 0.10865 0.00000
92 14F-3 0.00000 0.00000 0.61083 -0.10629 0.00000
93 3 H 1S 0.00000 0.00000 -0.36065 -0.10197 0.00000
94 2S 0.00000 0.00000 6.89300 2.23134 0.00000
95 3S 0.00000 0.00000 8.59566 0.99851 0.00000
96 4S 0.00000 0.00000 0.25065 0.02732 0.00000
97 5PX 0.00000 0.00000 -0.15395 0.08122 0.00000
98 5PY 0.00000 0.00000 -0.01336 0.26335 0.00000
99 5PZ -0.01327 0.35912 0.00000 0.00000 -0.01419
100 6PX 0.00000 0.00000 2.73110 1.04454 0.00000
101 6PY 0.00000 0.00000 -2.71369 -0.54708 0.00000
102 6PZ 0.32631 -0.01006 0.00000 0.00000 -0.46715
103 7PX 0.00000 0.00000 1.65994 0.28710 0.00000
104 7PY 0.00000 0.00000 -2.15975 -0.42789 0.00000
105 7PZ 0.43987 -0.07215 0.00000 0.00000 0.16027
106 8D 0 0.00000 0.00000 -0.01194 -0.20513 0.00000
107 8D+1 -0.07279 0.23854 0.00000 0.00000 -0.27092
108 8D-1 0.06556 -0.17866 0.00000 0.00000 -0.34329
109 8D+2 0.00000 0.00000 0.13188 0.12081 0.00000
110 8D-2 0.00000 0.00000 -0.28518 0.17696 0.00000
111 9D 0 0.00000 0.00000 -0.40331 -0.05970 0.00000
112 9D+1 0.26003 -0.25473 0.00000 0.00000 -0.20532
113 9D-1 -0.19007 -0.03388 0.00000 0.00000 0.06701
114 9D+2 0.00000 0.00000 -0.25869 0.01795 0.00000
115 9D-2 0.00000 0.00000 -0.60918 -0.35826 0.00000
81 82 83 84 85
V V V V V
Eigenvalues -- 3.47628 3.50407 3.52535 3.64070 3.73074
1 1 C 1S -0.03892 0.00000 0.02045 0.03524 0.00000
2 2S 0.31768 0.00000 0.18615 -0.30479 0.00000
3 3S 0.18119 0.00000 0.23743 -0.63236 0.00000
4 4S 9.82798 0.00000 -1.85660 5.31132 0.00000
5 5S 1.36008 0.00000 0.07497 0.94612 0.00000
6 6PX 0.59047 0.00000 -0.32744 0.14787 0.00000
7 6PY -0.31745 0.00000 0.23892 0.31487 0.00000
8 6PZ 0.00000 0.27334 0.00000 0.00000 -0.10163
9 7PX -2.83795 0.00000 1.68438 -0.70900 0.00000
10 7PY 0.99166 0.00000 -2.17403 -0.40260 0.00000
11 7PZ 0.00000 -0.52201 0.00000 0.00000 0.22776
12 8PX -5.98206 0.00000 -0.23353 -2.18483 0.00000
13 8PY 3.43748 0.00000 -0.10888 0.46035 0.00000
14 8PZ 0.00000 -0.36357 0.00000 0.00000 0.41291
15 9PX -0.29323 0.00000 -0.16218 -0.10834 0.00000
16 9PY 0.28704 0.00000 -0.03747 0.02978 0.00000
17 9PZ 0.00000 0.10567 0.00000 0.00000 0.08188
18 10D 0 0.73714 0.00000 -0.12844 0.47485 0.00000
19 10D+1 0.00000 -0.56224 0.00000 0.00000 0.48184
20 10D-1 0.00000 -0.57194 0.00000 0.00000 -0.26731
21 10D+2 -0.14273 0.00000 -0.15066 -0.30237 0.00000
22 10D-2 -0.24024 0.00000 -0.05136 0.50093 0.00000
23 11D 0 -1.62241 0.00000 0.91094 -0.93730 0.00000
24 11D+1 0.00000 0.74302 0.00000 0.00000 -0.60921
25 11D-1 0.00000 0.53650 0.00000 0.00000 1.18462
26 11D+2 0.27180 0.00000 -0.69613 0.79522 0.00000
27 11D-2 -0.30636 0.00000 1.90732 -1.72108 0.00000
28 12D 0 -0.27251 0.00000 0.05623 -0.39744 0.00000
29 12D+1 0.00000 0.03688 0.00000 0.00000 -0.12770
30 12D-1 0.00000 -0.30190 0.00000 0.00000 0.09241
31 12D+2 0.84376 0.00000 0.51599 0.16554 0.00000
32 12D-2 -0.26931 0.00000 0.53942 -0.58195 0.00000
33 13F 0 0.00000 0.81899 0.00000 0.00000 0.15025
34 13F+1 -0.18805 0.00000 -0.82450 -0.15230 0.00000
35 13F-1 0.32473 0.00000 -0.57605 -0.47318 0.00000
36 13F+2 0.00000 0.33864 0.00000 0.00000 0.64952
37 13F-2 0.00000 0.09248 0.00000 0.00000 -1.03030
38 13F+3 0.17663 0.00000 0.34301 -0.72032 0.00000
39 13F-3 0.55273 0.00000 0.16556 -0.05937 0.00000
40 14F 0 0.00000 -0.18554 0.00000 0.00000 -0.19074
41 14F+1 0.72392 0.00000 0.31422 0.33420 0.00000
42 14F-1 -0.45939 0.00000 0.11662 0.08031 0.00000
43 14F+2 0.00000 -0.15340 0.00000 0.00000 -0.08198
44 14F-2 0.00000 -0.10176 0.00000 0.00000 -0.02718
45 14F+3 0.64761 0.00000 0.30321 -0.11242 0.00000
46 14F-3 0.21217 0.00000 -0.76430 0.71303 0.00000
47 2 O 1S -0.01706 0.00000 0.00573 0.00362 0.00000
48 2S -0.30400 0.00000 0.38411 0.07204 0.00000
49 3S -0.11941 0.00000 0.21504 0.01632 0.00000
50 4S 0.05950 0.00000 -1.35481 -1.40337 0.00000
51 5S 1.06539 0.00000 -0.80176 -0.68587 0.00000
52 6PX 0.05528 0.00000 0.08365 -0.17726 0.00000
53 6PY 0.09160 0.00000 -0.12225 -0.01388 0.00000
54 6PZ 0.00000 0.02267 0.00000 0.00000 0.13962
55 7PX 0.06314 0.00000 0.05989 -0.22514 0.00000
56 7PY -0.35361 0.00000 0.06648 0.12806 0.00000
57 7PZ 0.00000 0.29640 0.00000 0.00000 0.11302
58 8PX 2.16466 0.00000 1.68480 -0.64426 0.00000
59 8PY -0.28243 0.00000 -2.17244 -0.51497 0.00000
60 8PZ 0.00000 0.04251 0.00000 0.00000 0.65171
61 9PX 0.20023 0.00000 0.29862 0.00264 0.00000
62 9PY 0.12011 0.00000 -0.24199 -0.07275 0.00000
63 9PZ 0.00000 -0.17553 0.00000 0.00000 -0.07287
64 10D 0 0.01107 0.00000 -0.01318 -0.00623 0.00000
65 10D+1 0.00000 -0.00188 0.00000 0.00000 -0.00421
66 10D-1 0.00000 -0.03562 0.00000 0.00000 -0.02729
67 10D+2 0.02903 0.00000 -0.01864 -0.00229 0.00000
68 10D-2 -0.00537 0.00000 -0.00113 0.03656 0.00000
69 11D 0 0.00317 0.00000 -0.09718 -0.22031 0.00000
70 11D+1 0.00000 -0.00132 0.00000 0.00000 -0.37227
71 11D-1 0.00000 0.19736 0.00000 0.00000 0.35279
72 11D+2 0.13171 0.00000 0.32899 -0.06798 0.00000
73 11D-2 0.32594 0.00000 0.26870 -0.34004 0.00000
74 12D 0 0.07729 0.00000 0.54699 0.09616 0.00000
75 12D+1 0.00000 -0.16947 0.00000 0.00000 0.04433
76 12D-1 0.00000 0.01365 0.00000 0.00000 0.29902
77 12D+2 0.04230 0.00000 0.51662 0.03889 0.00000
78 12D-2 0.73995 0.00000 0.65970 -0.17128 0.00000
79 13F 0 0.00000 -0.05989 0.00000 0.00000 -0.04372
80 13F+1 -0.00622 0.00000 -0.01805 0.02664 0.00000
81 13F-1 -0.00042 0.00000 0.03977 0.04242 0.00000
82 13F+2 0.00000 -0.09525 0.00000 0.00000 -0.04552
83 13F-2 0.00000 -0.01902 0.00000 0.00000 0.07038
84 13F+3 -0.02226 0.00000 -0.00167 0.09327 0.00000
85 13F-3 -0.03411 0.00000 0.00670 0.00561 0.00000
86 14F 0 0.00000 0.15531 0.00000 0.00000 0.02571
87 14F+1 -0.08336 0.00000 0.03358 -0.12426 0.00000
88 14F-1 0.08108 0.00000 -0.19832 -0.25038 0.00000
89 14F+2 0.00000 0.27150 0.00000 0.00000 -0.07060
90 14F-2 0.00000 -0.03942 0.00000 0.00000 -0.49059
91 14F+3 -0.00769 0.00000 -0.12714 -0.16045 0.00000
92 14F-3 0.24148 0.00000 0.14834 -0.06456 0.00000
93 3 H 1S 0.15012 0.00000 0.24667 -0.06577 0.00000
94 2S -5.43182 0.00000 3.72467 -3.16723 0.00000
95 3S -8.93605 0.00000 1.32297 -2.60610 0.00000
96 4S -0.44616 0.00000 0.00211 -0.17582 0.00000
97 5PX -0.06298 0.00000 0.08559 -0.42358 0.00000
98 5PY 0.07937 0.00000 0.16835 0.06037 0.00000
99 5PZ 0.00000 -0.11097 0.00000 0.00000 0.15406
100 6PX -1.56836 0.00000 1.11903 0.48019 0.00000
101 6PY 0.69007 0.00000 -1.58243 0.66161 0.00000
102 6PZ 0.00000 0.48280 0.00000 0.00000 -1.17407
103 7PX -1.38109 0.00000 0.53100 0.08991 0.00000
104 7PY 1.49573 0.00000 -0.10748 0.29132 0.00000
105 7PZ 0.00000 0.32898 0.00000 0.00000 -0.52756
106 8D 0 0.37047 0.00000 0.00511 0.05471 0.00000
107 8D+1 0.00000 -0.16184 0.00000 0.00000 0.03439
108 8D-1 0.00000 -0.19839 0.00000 0.00000 0.06072
109 8D+2 0.07430 0.00000 0.20722 -0.10659 0.00000
110 8D-2 0.05874 0.00000 -0.16334 0.06892 0.00000
111 9D 0 0.03045 0.00000 -0.02214 -0.34379 0.00000
112 9D+1 0.00000 0.27024 0.00000 0.00000 -0.63143
113 9D-1 0.00000 -0.23345 0.00000 0.00000 0.27565
114 9D+2 -0.00372 0.00000 -0.28285 0.56118 0.00000
115 9D-2 -0.21325 0.00000 -0.38815 -0.22382 0.00000
86 87 88 89 90
V V V V V
Eigenvalues -- 3.86466 3.97830 4.03139 4.09977 4.15400
1 1 C 1S 0.05279 0.00000 -0.07334 0.01609 0.05145
2 2S -0.38661 0.00000 0.26733 -0.41939 -0.87499
3 3S -0.51890 0.00000 0.30921 -0.61816 -1.46202
4 4S 0.22416 0.00000 5.07873 -0.60850 4.18971
5 5S -0.27106 0.00000 0.56174 -0.02441 0.44078
6 6PX 0.13560 0.00000 0.02836 -0.06625 0.13823
7 6PY 0.22171 0.00000 -0.07279 0.65181 0.54889
8 6PZ 0.00000 -0.04099 0.00000 0.00000 0.00000
9 7PX 0.23544 0.00000 -2.20838 0.89117 -1.26141
10 7PY -0.85610 0.00000 0.00029 -2.26925 1.38267
11 7PZ 0.00000 1.24244 0.00000 0.00000 0.00000
12 8PX -0.76489 0.00000 -3.29800 -0.22029 0.60710
13 8PY -0.19153 0.00000 2.01409 -1.17246 -3.07157
14 8PZ 0.00000 0.04515 0.00000 0.00000 0.00000
15 9PX 0.10563 0.00000 -0.17210 -0.04774 0.11482
16 9PY -0.01786 0.00000 0.13119 0.01491 -0.07482
17 9PZ 0.00000 -0.03376 0.00000 0.00000 0.00000
18 10D 0 0.21479 0.00000 -0.21241 -0.17037 0.45942
19 10D+1 0.00000 -0.00209 0.00000 0.00000 0.00000
20 10D-1 0.00000 -0.97732 0.00000 0.00000 0.00000
21 10D+2 0.12209 0.00000 -0.16873 -0.24537 1.00323
22 10D-2 0.09667 0.00000 0.92902 -0.09863 0.04397
23 11D 0 -0.31199 0.00000 -0.47019 0.04723 -1.31912
24 11D+1 0.00000 -0.38547 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.27203 0.00000 0.00000 0.00000
26 11D+2 -0.29554 0.00000 0.24558 -0.56224 -2.39822
27 11D-2 0.67705 0.00000 -0.42336 1.25017 -1.08844
28 12D 0 -0.07598 0.00000 -0.20046 0.17043 -0.36259
29 12D+1 0.00000 0.01848 0.00000 0.00000 0.00000
30 12D-1 0.00000 -0.05330 0.00000 0.00000 0.00000
31 12D+2 0.25145 0.00000 0.70189 0.25771 -1.16669
32 12D-2 0.05626 0.00000 -0.18095 0.33879 0.09960
33 13F 0 0.00000 -0.57608 0.00000 0.00000 0.00000
34 13F+1 -0.44396 0.00000 0.21399 0.29952 0.13999
35 13F-1 0.59183 0.00000 0.17932 0.17145 -0.46216
36 13F+2 0.00000 -0.26830 0.00000 0.00000 0.00000
37 13F-2 0.00000 -0.01368 0.00000 0.00000 0.00000
38 13F+3 0.24242 0.00000 0.68774 -0.01256 0.41828
39 13F-3 -0.73134 0.00000 0.18316 -0.24366 0.02606
40 14F 0 0.00000 0.28875 0.00000 0.00000 0.00000
41 14F+1 0.30892 0.00000 0.08507 -0.19001 -0.03382
42 14F-1 -0.17284 0.00000 -0.11915 0.12266 0.44953
43 14F+2 0.00000 0.40646 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.04144 0.00000 0.00000 0.00000
45 14F+3 0.08543 0.00000 -0.33607 0.14118 0.18161
46 14F-3 0.21383 0.00000 0.29409 -0.17956 0.88662
47 2 O 1S -0.00993 0.00000 0.00968 0.02282 0.00204
48 2S 0.04411 0.00000 -0.12315 -0.25382 -0.66144
49 3S 0.01408 0.00000 -0.04758 -0.12899 -0.52076
50 4S -0.80393 0.00000 -0.41951 -1.43795 -2.60425
51 5S -0.15911 0.00000 0.47014 -0.54911 -0.95668
52 6PX 0.05200 0.00000 0.56265 0.16627 0.24778
53 6PY 0.05457 0.00000 -0.04560 -0.08715 0.52166
54 6PZ 0.00000 -0.67250 0.00000 0.00000 0.00000
55 7PX -0.00244 0.00000 -0.59610 -0.13806 -0.16929
56 7PY 0.02491 0.00000 -0.18740 -0.41450 -0.69849
57 7PZ 0.00000 0.69056 0.00000 0.00000 0.00000
58 8PX 0.98930 0.00000 1.85843 1.11903 -0.11713
59 8PY -0.49725 0.00000 -0.82272 -0.56181 2.55180
60 8PZ 0.00000 -0.71881 0.00000 0.00000 0.00000
61 9PX 0.05012 0.00000 0.07874 0.17153 -0.04818
62 9PY -0.09644 0.00000 0.02018 -0.18356 0.04690
63 9PZ 0.00000 0.10562 0.00000 0.00000 0.00000
64 10D 0 0.00867 0.00000 -0.00699 -0.02126 0.03829
65 10D+1 0.00000 0.00929 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.04112 0.00000 0.00000 0.00000
67 10D+2 0.01543 0.00000 -0.01289 -0.05075 0.07787
68 10D-2 -0.00076 0.00000 -0.03751 0.00021 -0.04213
69 11D 0 0.11141 0.00000 0.14475 0.08514 -0.60453
70 11D+1 0.00000 0.05507 0.00000 0.00000 0.00000
71 11D-1 0.00000 -0.74470 0.00000 0.00000 0.00000
72 11D+2 -0.30587 0.00000 0.24761 -0.08267 -0.76012
73 11D-2 0.19736 0.00000 0.91051 0.12781 0.16706
74 12D 0 0.09828 0.00000 0.19080 0.00680 -0.83536
75 12D+1 0.00000 0.07805 0.00000 0.00000 0.00000
76 12D-1 0.00000 -0.31273 0.00000 0.00000 0.00000
77 12D+2 0.10829 0.00000 0.18380 -0.19678 -1.13545
78 12D-2 0.44412 0.00000 0.90971 0.43359 -0.18103
79 13F 0 0.00000 -0.04459 0.00000 0.00000 0.00000
80 13F+1 -0.01254 0.00000 0.01547 0.00869 -0.00648
81 13F-1 -0.02591 0.00000 -0.01217 0.04470 0.03949
82 13F+2 0.00000 -0.04669 0.00000 0.00000 0.00000
83 13F-2 0.00000 -0.00251 0.00000 0.00000 0.00000
84 13F+3 -0.00729 0.00000 0.06202 -0.00967 -0.01354
85 13F-3 0.04801 0.00000 0.00237 0.09363 0.01165
86 14F 0 0.00000 0.49828 0.00000 0.00000 0.00000
87 14F+1 -0.02884 0.00000 -0.28456 -0.01580 -0.00498
88 14F-1 0.20053 0.00000 0.18375 -0.15591 -0.63892
89 14F+2 0.00000 0.55383 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.11817 0.00000 0.00000 0.00000
91 14F+3 -0.13902 0.00000 -0.92711 -0.00110 -0.01822
92 14F-3 -0.38648 0.00000 0.07124 -0.50808 -0.44459
93 3 H 1S 0.64441 0.00000 -0.09271 0.12024 -0.16699
94 2S 0.05745 0.00000 -2.62263 2.32849 -2.49236
95 3S 0.86733 0.00000 -4.33518 1.36966 0.34152
96 4S 0.08203 0.00000 -0.15828 0.01491 -0.05823
97 5PX -0.32793 0.00000 -0.07708 -0.06265 0.05204
98 5PY 0.21260 0.00000 0.34644 0.04346 -0.08080
99 5PZ 0.00000 -0.09890 0.00000 0.00000 0.00000
100 6PX 0.94279 0.00000 -0.48668 1.11157 -1.77116
101 6PY -0.79110 0.00000 0.11468 -0.65248 0.04405
102 6PZ 0.00000 -0.33598 0.00000 0.00000 0.00000
103 7PX 0.33277 0.00000 -0.38140 0.56531 -0.52519
104 7PY -0.00203 0.00000 0.67350 0.03295 -0.27754
105 7PZ 0.00000 -0.04515 0.00000 0.00000 0.00000
106 8D 0 -0.45055 0.00000 0.17396 0.75591 0.07211
107 8D+1 0.00000 0.15247 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.36041 0.00000 0.00000 0.00000
109 8D+2 0.05643 0.00000 -0.14538 0.19702 -0.22446
110 8D-2 -0.34136 0.00000 0.31671 -0.56943 0.09025
111 9D 0 0.10067 0.00000 -0.34457 -0.50103 0.12106
112 9D+1 0.00000 -0.18321 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.09351 0.00000 0.00000 0.00000
114 9D+2 -0.03726 0.00000 -0.12482 0.03972 -0.54289
115 9D-2 -0.18298 0.00000 -0.31257 0.01470 0.05356
91 92 93 94 95
V V V V V
Eigenvalues -- 4.21496 4.56586 4.58480 4.78778 4.96327
1 1 C 1S 0.00000 0.07777 0.00000 -0.07407 0.04661
2 2S 0.00000 0.40833 0.00000 -0.14455 0.09483
3 3S 0.00000 0.70864 0.00000 -0.11193 -0.01733
4 4S 0.00000 -0.21803 0.00000 4.14602 1.96381
5 5S 0.00000 -0.48540 0.00000 0.59331 0.08139
6 6PX 0.00000 0.25246 0.00000 -0.17907 -0.25791
7 6PY 0.00000 -0.93766 0.00000 0.30304 0.00893
8 6PZ 0.05656 0.00000 0.24146 0.00000 0.00000
9 7PX 0.00000 -1.06706 0.00000 0.77040 1.94331
10 7PY 0.00000 4.03093 0.00000 -1.52188 0.37213
11 7PZ -0.47568 0.00000 -1.36348 0.00000 0.00000
12 8PX 0.00000 -1.42578 0.00000 -1.28919 -0.32861
13 8PY 0.00000 4.47438 0.00000 1.37266 0.64052
14 8PZ -0.41783 0.00000 -1.17083 0.00000 0.00000
15 9PX 0.00000 0.04519 0.00000 -0.06727 0.02554
16 9PY 0.00000 0.20798 0.00000 0.07150 -0.05080
17 9PZ -0.05546 0.00000 0.02707 0.00000 0.00000
18 10D 0 0.00000 0.26270 0.00000 -0.11094 0.13644
19 10D+1 -0.16716 0.00000 -0.05357 0.00000 0.00000
20 10D-1 0.09107 0.00000 0.16959 0.00000 0.00000
21 10D+2 0.00000 0.40415 0.00000 0.15478 -0.30722
22 10D-2 0.00000 0.19112 0.00000 -0.03994 -0.38991
23 11D 0 0.00000 0.64663 0.00000 -0.29601 0.03344
24 11D+1 0.06866 0.00000 1.38085 0.00000 0.00000
25 11D-1 0.11398 0.00000 -1.05620 0.00000 0.00000
26 11D+2 0.00000 1.58704 0.00000 -2.90048 -1.38028
27 11D-2 0.00000 -0.91381 0.00000 0.73710 -1.05155
28 12D 0 0.00000 0.32033 0.00000 -0.20861 0.00388
29 12D+1 0.15637 0.00000 0.38183 0.00000 0.00000
30 12D-1 0.24023 0.00000 -0.36028 0.00000 0.00000
31 12D+2 0.00000 0.64180 0.00000 -0.53598 0.00198
32 12D-2 0.00000 -0.35516 0.00000 -0.13943 -0.03402
33 13F 0 0.09295 0.00000 0.03976 0.00000 0.00000
34 13F+1 0.00000 0.20136 0.00000 -0.03878 -0.37351
35 13F-1 0.00000 -0.68639 0.00000 0.30547 0.00530
36 13F+2 0.71627 0.00000 0.01308 0.00000 0.00000
37 13F-2 0.42525 0.00000 -0.07128 0.00000 0.00000
38 13F+3 0.00000 -0.03085 0.00000 -0.07637 0.10295
39 13F-3 0.00000 -0.79735 0.00000 0.30871 -0.10145
40 14F 0 0.04153 0.00000 0.49485 0.00000 0.00000
41 14F+1 0.00000 -0.03170 0.00000 0.08357 0.03980
42 14F-1 0.00000 -0.23752 0.00000 -0.35211 -0.27606
43 14F+2 -0.39481 0.00000 -0.34599 0.00000 0.00000
44 14F-2 -0.02350 0.00000 0.66976 0.00000 0.00000
45 14F+3 0.00000 0.24128 0.00000 1.72384 0.55665
46 14F-3 0.00000 0.13108 0.00000 -0.04605 0.20073
47 2 O 1S 0.00000 -0.06195 0.00000 0.02857 0.01143
48 2S 0.00000 1.13747 0.00000 -0.48735 -0.16795
49 3S 0.00000 0.65175 0.00000 -0.33768 -0.11688
50 4S 0.00000 4.67423 0.00000 -2.96015 -0.49880
51 5S 0.00000 2.01932 0.00000 -0.31229 0.09412
52 6PX 0.00000 0.11231 0.00000 -0.57172 0.52406
53 6PY 0.00000 -0.04178 0.00000 0.16489 -0.18505
54 6PZ 0.43122 0.00000 -0.07233 0.00000 0.00000
55 7PX 0.00000 -0.19481 0.00000 1.01816 -0.76978
56 7PY 0.00000 2.05714 0.00000 -1.07531 0.14544
57 7PZ -0.36503 0.00000 0.06165 0.00000 0.00000
58 8PX 0.00000 0.24811 0.00000 1.60176 -0.47527
59 8PY 0.00000 -0.26313 0.00000 -1.02941 -0.43680
60 8PZ 0.54273 0.00000 -0.25305 0.00000 0.00000
61 9PX 0.00000 -0.12147 0.00000 0.16319 -0.14759
62 9PY 0.00000 0.07045 0.00000 0.04691 0.08228
63 9PZ 0.10033 0.00000 -0.05137 0.00000 0.00000
64 10D 0 0.00000 0.06585 0.00000 -0.03019 -0.05654
65 10D+1 0.00926 0.00000 0.00029 0.00000 0.00000
66 10D-1 -0.05382 0.00000 -0.00165 0.00000 0.00000
67 10D+2 0.00000 0.11959 0.00000 -0.00058 -0.01705
68 10D-2 0.00000 -0.00268 0.00000 0.06269 -0.10482
69 11D 0 0.00000 -0.24360 0.00000 -0.02781 -0.11545
70 11D+1 0.14614 0.00000 -0.01727 0.00000 0.00000
71 11D-1 0.35028 0.00000 0.07111 0.00000 0.00000
72 11D+2 0.00000 -0.31895 0.00000 0.17457 0.04163
73 11D-2 0.00000 0.02064 0.00000 0.18627 -0.57242
74 12D 0 0.00000 0.53289 0.00000 -0.11030 -0.15301
75 12D+1 0.04880 0.00000 0.04743 0.00000 0.00000
76 12D-1 0.11193 0.00000 -0.10890 0.00000 0.00000
77 12D+2 0.00000 0.96281 0.00000 0.19922 0.28575
78 12D-2 0.00000 0.15713 0.00000 0.69952 -0.57028
79 13F 0 -0.02013 0.00000 0.01453 0.00000 0.00000
80 13F+1 0.00000 0.00276 0.00000 -0.00213 -0.05186
81 13F-1 0.00000 -0.09190 0.00000 0.01290 0.03197
82 13F+2 -0.00656 0.00000 0.04047 0.00000 0.00000
83 13F-2 -0.03910 0.00000 0.02911 0.00000 0.00000
84 13F+3 0.00000 0.00840 0.00000 -0.02275 -0.09345
85 13F-3 0.00000 -0.13685 0.00000 0.05137 0.00345
86 14F 0 -0.06670 0.00000 -0.14606 0.00000 0.00000
87 14F+1 0.00000 -0.07033 0.00000 0.00989 0.19669
88 14F-1 0.00000 0.36373 0.00000 -0.17340 -0.14975
89 14F+2 -0.12199 0.00000 -0.00055 0.00000 0.00000
90 14F-2 0.27697 0.00000 -0.08778 0.00000 0.00000
91 14F+3 0.00000 -0.10901 0.00000 -0.07370 0.54846
92 14F-3 0.00000 0.47960 0.00000 -0.02579 0.18009
93 3 H 1S 0.00000 0.04538 0.00000 0.07788 0.16505
94 2S 0.00000 -2.49873 0.00000 0.77520 -0.19157
95 3S 0.00000 -3.57090 0.00000 -2.44954 -1.58230
96 4S 0.00000 -0.01871 0.00000 -0.11015 -0.00367
97 5PX 0.00000 0.30610 0.00000 0.59580 0.41524
98 5PY 0.00000 0.40248 0.00000 1.12083 -0.02476
99 5PZ -0.10983 0.00000 -1.29789 0.00000 0.00000
100 6PX 0.00000 -1.37782 0.00000 -1.22301 -1.15481
101 6PY 0.00000 -0.22575 0.00000 -3.29961 -1.51353
102 6PZ 0.31619 0.00000 3.01016 0.00000 0.00000
103 7PX 0.00000 -1.02282 0.00000 -0.97736 -0.40750
104 7PY 0.00000 0.43254 0.00000 -0.66329 0.33588
105 7PZ 0.14931 0.00000 0.86834 0.00000 0.00000
106 8D 0 0.00000 0.18736 0.00000 0.10034 -0.12154
107 8D+1 0.52613 0.00000 0.56516 0.00000 0.00000
108 8D-1 0.79216 0.00000 -0.43715 0.00000 0.00000
109 8D+2 0.00000 -0.05200 0.00000 -0.31687 -1.11662
110 8D-2 0.00000 -0.48157 0.00000 0.05157 -0.31011
111 9D 0 0.00000 -0.11800 0.00000 -0.07902 0.08214
112 9D+1 -0.19441 0.00000 0.72524 0.00000 0.00000
113 9D-1 -0.55407 0.00000 -0.47345 0.00000 0.00000
114 9D+2 0.00000 -0.46582 0.00000 -0.87483 -0.22766
115 9D-2 0.00000 0.35056 0.00000 -0.75273 -0.07758
96 97 98 99 100
V V V V V
Eigenvalues -- 5.04564 5.16666 5.31243 5.41724 5.60931
1 1 C 1S 0.00000 0.00000 0.30787 0.11508 -0.04033
2 2S 0.00000 0.00000 0.25207 -0.61746 -0.02967
3 3S 0.00000 0.00000 -0.83340 -1.10041 0.23723
4 4S 0.00000 0.00000 -0.45025 -0.63290 -2.24405
5 5S 0.00000 0.00000 0.23300 -0.38119 -0.37806
6 6PX 0.00000 0.00000 0.09701 0.32102 0.16075
7 6PY 0.00000 0.00000 0.26604 -0.04644 -0.18333
8 6PZ 0.10505 -0.25398 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 -0.65605 1.79873 -1.66746
10 7PY 0.00000 0.00000 1.28479 -2.37773 0.39134
11 7PZ -0.53789 2.58668 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 0.44808 1.11082 -0.20024
13 8PY 0.00000 0.00000 0.40050 -1.01035 -0.85122
14 8PZ 0.52260 0.75880 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 -0.04063 0.13890 -0.02041
16 9PY 0.00000 0.00000 0.02203 -0.08397 -0.06092
17 9PZ 0.04418 0.03857 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.00000 0.43242 0.11284 -0.07558
19 10D+1 0.47507 -0.07968 0.00000 0.00000 0.00000
20 10D-1 -0.32920 -0.67783 0.00000 0.00000 0.00000
21 10D+2 0.00000 0.00000 0.25763 -0.22008 -0.22542
22 10D-2 0.00000 0.00000 0.60626 0.38760 0.23781
23 11D 0 0.00000 0.00000 0.05734 -0.21931 0.44548
24 11D+1 0.17644 0.24253 0.00000 0.00000 0.00000
25 11D-1 -0.38900 -2.10667 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.00000 0.14610 -1.27973 -1.09338
27 11D-2 0.00000 0.00000 0.12806 -0.52521 2.36745
28 12D 0 0.00000 0.00000 0.23222 0.06834 0.14603
29 12D+1 -0.22797 0.01479 0.00000 0.00000 0.00000
30 12D-1 0.13740 -0.20597 0.00000 0.00000 0.00000
31 12D+2 0.00000 0.00000 -0.00639 -0.19564 -0.04516
32 12D-2 0.00000 0.00000 0.10125 -0.01854 0.62272
33 13F 0 0.57554 -0.72311 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 -0.15679 0.19772 0.19032
35 13F-1 0.00000 0.00000 0.24928 0.04529 -0.29683
36 13F+2 -0.31289 -0.89282 0.00000 0.00000 0.00000
37 13F-2 0.82042 -0.13303 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.07621 -0.03486 1.62485
39 13F-3 0.00000 0.00000 -0.29839 0.78394 -0.05446
40 14F 0 -0.04089 -0.07499 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 -0.02126 0.00475 0.01040
42 14F-1 0.00000 0.00000 -0.08847 -0.16912 -0.08533
43 14F+2 0.00767 -0.23217 0.00000 0.00000 0.00000
44 14F-2 0.06347 0.11659 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 -0.02344 0.11119 0.72193
46 14F-3 0.00000 0.00000 -0.12378 0.29469 -0.08289
47 2 O 1S 0.00000 0.00000 -0.06753 0.02052 0.02609
48 2S 0.00000 0.00000 -0.16156 -0.49438 0.06045
49 3S 0.00000 0.00000 0.03625 -0.31617 -0.02972
50 4S 0.00000 0.00000 2.37562 -2.40019 -0.21388
51 5S 0.00000 0.00000 -0.03207 -1.00131 0.05196
52 6PX 0.00000 0.00000 -0.22380 0.15248 -0.68898
53 6PY 0.00000 0.00000 -0.70173 -0.19976 0.10282
54 6PZ 0.09182 0.96888 0.00000 0.00000 0.00000
55 7PX 0.00000 0.00000 0.40044 -0.32462 1.85162
56 7PY 0.00000 0.00000 1.43487 -0.56697 -0.11527
57 7PZ -0.13531 -1.98989 0.00000 0.00000 0.00000
58 8PX 0.00000 0.00000 -0.06168 -0.24823 2.44837
59 8PY 0.00000 0.00000 0.65374 -1.13704 0.00637
60 8PZ -0.11423 -2.04342 0.00000 0.00000 0.00000
61 9PX 0.00000 0.00000 0.01054 -0.03976 0.31328
62 9PY 0.00000 0.00000 -0.05435 -0.20818 0.01423
63 9PZ -0.00943 -0.24823 0.00000 0.00000 0.00000
64 10D 0 0.00000 0.00000 -0.01776 -0.08023 -0.05541
65 10D+1 -0.00456 -0.00528 0.00000 0.00000 0.00000
66 10D-1 0.00033 -0.07761 0.00000 0.00000 0.00000
67 10D+2 0.00000 0.00000 -0.04660 -0.06208 0.03062
68 10D-2 0.00000 0.00000 0.01025 -0.03387 0.00364
69 11D 0 0.00000 0.00000 -0.26499 -0.04372 -0.05221
70 11D+1 0.16852 -0.03381 0.00000 0.00000 0.00000
71 11D-1 -0.06661 -1.54961 0.00000 0.00000 0.00000
72 11D+2 0.00000 0.00000 -0.64078 0.30354 0.13526
73 11D-2 0.00000 0.00000 0.30971 -0.14675 1.54571
74 12D 0 0.00000 0.00000 -0.10149 -0.07420 -0.16266
75 12D+1 0.08133 0.00913 0.00000 0.00000 0.00000
76 12D-1 -0.06977 -1.26279 0.00000 0.00000 0.00000
77 12D+2 0.00000 0.00000 -0.13191 0.23545 0.14525
78 12D-2 0.00000 0.00000 0.04674 -0.08849 1.17908
79 13F 0 -0.03050 -0.11191 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.03006 -0.03821 0.04526
81 13F-1 0.00000 0.00000 0.10217 0.17557 -0.00365
82 13F+2 -0.06091 -0.12511 0.00000 0.00000 0.00000
83 13F-2 -0.07290 0.01800 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.15937 -0.01680 0.20993
85 13F-3 0.00000 0.00000 0.19086 0.02385 -0.09474
86 14F 0 -0.03244 0.67984 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 -0.05395 -0.07263 -0.18681
88 14F-1 0.00000 0.00000 -0.19030 -0.27818 -0.11385
89 14F+2 0.13702 0.89510 0.00000 0.00000 0.00000
90 14F-2 0.23895 -0.06251 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 -0.32237 0.00835 -0.91431
92 14F-3 0.00000 0.00000 -0.42291 0.13676 0.31050
93 3 H 1S 0.00000 0.00000 0.42481 -1.16494 -0.18894
94 2S 0.00000 0.00000 -0.27701 3.05122 1.68817
95 3S 0.00000 0.00000 -0.85721 2.85964 1.70313
96 4S 0.00000 0.00000 -0.11360 0.19095 0.08585
97 5PX 0.00000 0.00000 0.92350 -0.46389 -0.42379
98 5PY 0.00000 0.00000 -0.53005 0.60832 -0.27904
99 5PZ 0.55151 -0.23381 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00000 -1.10378 2.13999 -0.12161
101 6PY 0.00000 0.00000 0.60734 -2.32415 -1.14789
102 6PZ 0.53204 0.44664 0.00000 0.00000 0.00000
103 7PX 0.00000 0.00000 -0.62623 0.58850 0.33323
104 7PY 0.00000 0.00000 0.23693 -0.74891 0.01711
105 7PZ -0.50175 0.09572 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 -0.18845 -0.64955 0.08236
107 8D+1 1.09699 -0.17126 0.00000 0.00000 0.00000
108 8D-1 -0.69016 -0.09189 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.18794 0.27659 -0.89143
110 8D-2 0.00000 0.00000 -0.22228 -0.80625 -0.47340
111 9D 0 0.00000 0.00000 0.37108 -0.30940 0.07081
112 9D+1 -0.14561 0.19683 0.00000 0.00000 0.00000
113 9D-1 0.13888 -0.03523 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 -0.32776 -0.08778 -0.05119
115 9D-2 0.00000 0.00000 0.51061 -0.56465 0.02635
101 102 103 104 105
V V V V V
Eigenvalues -- 6.23716 6.53576 6.53599 6.82831 6.85684
1 1 C 1S 0.04658 0.01699 0.00000 0.00000 -0.02102
2 2S 0.30898 0.01508 0.00000 0.00000 -0.22782
3 3S 0.58493 -0.03561 0.00000 0.00000 -0.19482
4 4S -0.64258 0.70344 0.00000 0.00000 -0.66322
5 5S 1.00252 0.20101 0.00000 0.00000 -0.20934
6 6PX -0.26356 0.01882 0.00000 0.00000 0.10162
7 6PY 0.16991 -0.00603 0.00000 0.00000 -0.06669
8 6PZ 0.00000 0.00000 0.01769 0.01101 0.00000
9 7PX 5.35940 0.33231 0.00000 0.00000 -1.10794
10 7PY -8.28848 -0.55914 0.00000 0.00000 1.65846
11 7PZ 0.00000 0.00000 -0.07678 -0.13648 0.00000
12 8PX 2.28455 -0.12532 0.00000 0.00000 -0.06930
13 8PY -4.08524 -0.06452 0.00000 0.00000 0.34822
14 8PZ 0.00000 0.00000 -0.13445 -0.03661 0.00000
15 9PX -0.13487 -0.00692 0.00000 0.00000 -0.00755
16 9PY -0.14250 0.00932 0.00000 0.00000 0.02514
17 9PZ 0.00000 0.00000 0.00202 -0.04536 0.00000
18 10D 0 0.12165 0.03959 0.00000 0.00000 0.06291
19 10D+1 0.00000 0.00000 -0.01691 -0.05861 0.00000
20 10D-1 0.00000 0.00000 0.00343 -0.00769 0.00000
21 10D+2 -1.01016 -0.08357 0.00000 0.00000 0.14736
22 10D-2 0.71477 0.08119 0.00000 0.00000 -0.09255
23 11D 0 0.58481 -0.07972 0.00000 0.00000 -0.57165
24 11D+1 0.00000 0.00000 0.16233 0.57212 0.00000
25 11D-1 0.00000 0.00000 -0.14974 0.02753 0.00000
26 11D+2 -1.95845 -0.12778 0.00000 0.00000 0.75468
27 11D-2 2.11355 -0.05895 0.00000 0.00000 -0.49457
28 12D 0 0.06721 -0.05527 0.00000 0.00000 -0.10443
29 12D+1 0.00000 0.00000 0.06068 0.15229 0.00000
30 12D-1 0.00000 0.00000 -0.05085 0.04841 0.00000
31 12D+2 -0.34850 0.00834 0.00000 0.00000 0.12183
32 12D-2 0.45908 -0.08491 0.00000 0.00000 -0.07193
33 13F 0 0.00000 0.00000 -0.04604 0.08570 0.00000
34 13F+1 -0.42420 -0.08679 0.00000 0.00000 0.15047
35 13F-1 0.51681 0.03995 0.00000 0.00000 -0.29767
36 13F+2 0.00000 0.00000 0.01247 0.02032 0.00000
37 13F-2 0.00000 0.00000 0.01071 0.26487 0.00000
38 13F+3 -0.41292 -0.02423 0.00000 0.00000 0.14790
39 13F-3 -0.30209 -0.00151 0.00000 0.00000 0.23073
40 14F 0 0.00000 0.00000 0.18818 -0.04264 0.00000
41 14F+1 -0.17393 0.20351 0.00000 0.00000 -0.00342
42 14F-1 0.18442 -0.04764 0.00000 0.00000 0.42774
43 14F+2 0.00000 0.00000 -0.15885 -0.11580 0.00000
44 14F-2 0.00000 0.00000 0.10771 -0.56668 0.00000
45 14F+3 0.10942 -0.05375 0.00000 0.00000 -0.27287
46 14F-3 -0.32097 0.08110 0.00000 0.00000 -0.20708
47 2 O 1S 0.11953 0.00923 0.00000 0.00000 -0.04353
48 2S 0.26251 0.00508 0.00000 0.00000 -0.10822
49 3S -0.03108 -0.01561 0.00000 0.00000 0.03905
50 4S -9.08713 -0.74093 0.00000 0.00000 1.81369
51 5S -4.21337 -0.34672 0.00000 0.00000 0.64676
52 6PX 0.04410 0.02389 0.00000 0.00000 0.01207
53 6PY 0.82310 0.03921 0.00000 0.00000 -0.14872
54 6PZ 0.00000 0.00000 0.01568 0.00440 0.00000
55 7PX -0.17401 -0.07088 0.00000 0.00000 -0.02672
56 7PY -2.74173 -0.17410 0.00000 0.00000 0.52965
57 7PZ 0.00000 0.00000 -0.04542 -0.00752 0.00000
58 8PX 0.24134 -0.03451 0.00000 0.00000 -0.21270
59 8PY -5.01136 -0.43637 0.00000 0.00000 1.11150
60 8PZ 0.00000 0.00000 -0.05417 0.01331 0.00000
61 9PX 0.19960 -0.01569 0.00000 0.00000 -0.00820
62 9PY -0.86418 -0.07621 0.00000 0.00000 0.12581
63 9PZ 0.00000 0.00000 -0.01061 0.04809 0.00000
64 10D 0 0.01467 -0.03109 0.00000 0.00000 -0.01394
65 10D+1 0.00000 0.00000 0.02486 -0.05212 0.00000
66 10D-1 0.00000 0.00000 -0.01860 0.01653 0.00000
67 10D+2 0.03804 0.01721 0.00000 0.00000 -0.06189
68 10D-2 -0.01622 -0.03263 0.00000 0.00000 -0.00875
69 11D 0 0.72602 0.05362 0.00000 0.00000 -0.12502
70 11D+1 0.00000 0.00000 -0.00502 0.01988 0.00000
71 11D-1 0.00000 0.00000 -0.01544 0.02861 0.00000
72 11D+2 1.11790 0.07255 0.00000 0.00000 -0.18314
73 11D-2 -0.24825 -0.02688 0.00000 0.00000 0.08416
74 12D 0 0.72225 0.04352 0.00000 0.00000 0.29924
75 12D+1 0.00000 0.00000 0.01688 -0.56566 0.00000
76 12D-1 0.00000 0.00000 -0.02660 0.03081 0.00000
77 12D+2 1.18556 0.11552 0.00000 0.00000 -0.58903
78 12D-2 0.12028 -0.00886 0.00000 0.00000 -0.03661
79 13F 0 0.00000 0.00000 0.96592 -0.02959 0.00000
80 13F+1 -0.06012 1.17279 0.00000 0.00000 -0.00371
81 13F-1 -0.31268 -0.01157 0.00000 0.00000 -1.00481
82 13F+2 0.00000 0.00000 -0.72906 -0.00624 0.00000
83 13F-2 0.00000 0.00000 0.02205 1.27228 0.00000
84 13F+3 0.08635 -0.27981 0.00000 0.00000 -0.02443
85 13F-3 -0.11262 -0.00384 0.00000 0.00000 0.75347
86 14F 0 0.00000 0.00000 -0.50109 -0.01564 0.00000
87 14F+1 0.08683 -0.60628 0.00000 0.00000 -0.03843
88 14F-1 0.51587 0.02375 0.00000 0.00000 0.62773
89 14F+2 0.00000 0.00000 0.38661 -0.02362 0.00000
90 14F-2 0.00000 0.00000 -0.00693 -0.88350 0.00000
91 14F+3 0.05680 0.14905 0.00000 0.00000 -0.06745
92 14F-3 0.36766 0.03215 0.00000 0.00000 -0.59441
93 3 H 1S -0.01265 -0.06845 0.00000 0.00000 -0.19237
94 2S 9.58618 0.28575 0.00000 0.00000 -1.59927
95 3S 4.80108 -0.14365 0.00000 0.00000 -0.06192
96 4S -0.06844 -0.03600 0.00000 0.00000 0.02460
97 5PX 0.84803 0.03949 0.00000 0.00000 -0.29540
98 5PY -0.41433 0.00129 0.00000 0.00000 0.14450
99 5PZ 0.00000 0.00000 -0.04793 0.09048 0.00000
100 6PX 3.95405 0.31105 0.00000 0.00000 -0.46616
101 6PY -2.81665 -0.23005 0.00000 0.00000 0.67555
102 6PZ 0.00000 0.00000 0.33254 -0.01099 0.00000
103 7PX 1.18562 0.00198 0.00000 0.00000 0.07020
104 7PY -0.89261 -0.05503 0.00000 0.00000 0.00909
105 7PZ 0.00000 0.00000 0.10698 0.07060 0.00000
106 8D 0 -0.60597 -0.07372 0.00000 0.00000 0.07207
107 8D+1 0.00000 0.00000 0.03459 0.10594 0.00000
108 8D-1 0.00000 0.00000 -0.03022 -0.08109 0.00000
109 8D+2 0.51118 0.03484 0.00000 0.00000 -0.08085
110 8D-2 -0.90333 -0.10592 0.00000 0.00000 0.09421
111 9D 0 -0.28628 0.01689 0.00000 0.00000 -0.01793
112 9D+1 0.00000 0.00000 0.03131 -0.04524 0.00000
113 9D-1 0.00000 0.00000 -0.04626 -0.15913 0.00000
114 9D+2 0.13749 -0.02272 0.00000 0.00000 0.00671
115 9D-2 -0.55386 -0.07055 0.00000 0.00000 0.03608
106 107 108 109 110
V V V V V
Eigenvalues -- 7.08189 7.11128 7.13155 7.25776 7.32293
1 1 C 1S 0.00000 0.00000 0.04961 0.08285 0.10257
2 2S 0.00000 0.00000 -0.10689 -0.20061 -0.12769
3 3S 0.00000 0.00000 -0.11159 -0.14198 -0.25346
4 4S 0.00000 0.00000 -1.49498 -0.40596 0.77844
5 5S 0.00000 0.00000 -0.63825 -0.12263 -0.09102
6 6PX 0.00000 0.00000 0.01852 0.03130 0.07040
7 6PY 0.00000 0.00000 0.12916 0.29403 0.10956
8 6PZ 0.03110 -0.00806 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 -0.51138 -0.53461 -0.81922
10 7PY 0.00000 0.00000 1.30538 1.13562 1.88897
11 7PZ -0.22480 0.03615 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 0.68838 -1.21253 -0.21926
13 8PY 0.00000 0.00000 0.01500 1.74616 0.97345
14 8PZ -0.52746 0.28443 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 0.13601 -0.06607 0.08930
16 9PY 0.00000 0.00000 -0.06104 0.14559 0.04554
17 9PZ -0.03862 0.02018 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.00000 0.11932 0.22545 0.26928
19 10D+1 0.02508 0.01116 0.00000 0.00000 0.00000
20 10D-1 -0.46928 -0.00964 0.00000 0.00000 0.00000
21 10D+2 0.00000 0.00000 0.33207 0.58836 0.44335
22 10D-2 0.00000 0.00000 0.01416 -0.33952 0.41715
23 11D 0 0.00000 0.00000 -0.13581 0.04006 -0.12992
24 11D+1 -0.13280 0.14624 0.00000 0.00000 0.00000
25 11D-1 0.47823 0.05296 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.00000 0.59518 -0.03549 -0.48514
27 11D-2 0.00000 0.00000 -0.37884 -0.00432 -0.47553
28 12D 0 0.00000 0.00000 0.22313 0.04190 -0.02215
29 12D+1 -0.02311 -0.23476 0.00000 0.00000 0.00000
30 12D-1 0.24542 0.14760 0.00000 0.00000 0.00000
31 12D+2 0.00000 0.00000 -0.10150 0.30983 -0.00745
32 12D-2 0.00000 0.00000 0.07433 -0.03242 -0.26178
33 13F 0 -0.32732 0.00627 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 0.05522 -0.04827 0.14090
35 13F-1 0.00000 0.00000 -0.02236 -0.13108 -0.24558
36 13F+2 -0.43879 -0.00072 0.00000 0.00000 0.00000
37 13F-2 -0.00784 -0.08920 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00297 -0.47540 0.80487
39 13F-3 0.00000 0.00000 -0.16704 -0.07354 -0.15808
40 14F 0 0.08229 -0.08702 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 -0.08220 0.04090 0.05241
42 14F-1 0.00000 0.00000 0.21932 0.02178 -0.08354
43 14F+2 0.20092 -0.04962 0.00000 0.00000 0.00000
44 14F-2 -0.07355 -0.23033 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 -0.32949 0.34190 0.29254
46 14F-3 0.00000 0.00000 0.02351 0.32888 0.45520
47 2 O 1S 0.00000 0.00000 -0.10606 -0.14197 -0.10290
48 2S 0.00000 0.00000 -0.20793 -0.35900 -0.26933
49 3S 0.00000 0.00000 0.17153 0.16040 0.08668
50 4S 0.00000 0.00000 1.94659 2.31891 1.62961
51 5S 0.00000 0.00000 0.76666 1.07781 0.60619
52 6PX 0.00000 0.00000 0.00938 0.12296 -0.23213
53 6PY 0.00000 0.00000 -0.15815 -0.28348 -0.22831
54 6PZ 0.16181 0.01644 0.00000 0.00000 0.00000
55 7PX 0.00000 0.00000 -0.04869 -0.38368 0.75646
56 7PY 0.00000 0.00000 0.67493 1.00129 0.91483
57 7PZ -0.47297 -0.04442 0.00000 0.00000 0.00000
58 8PX 0.00000 0.00000 -0.62802 0.89296 -0.22481
59 8PY 0.00000 0.00000 1.09033 0.45758 0.75882
60 8PZ 1.00066 -0.01219 0.00000 0.00000 0.00000
61 9PX 0.00000 0.00000 -0.10008 0.14101 -0.22114
62 9PY 0.00000 0.00000 0.17353 0.07455 0.09003
63 9PZ 0.23070 0.04186 0.00000 0.00000 0.00000
64 10D 0 0.00000 0.00000 -1.03420 0.11978 0.24500
65 10D+1 -0.01727 1.22158 0.00000 0.00000 0.00000
66 10D-1 -0.19842 0.01028 0.00000 0.00000 0.00000
67 10D+2 0.00000 0.00000 0.43761 -0.32564 -0.39991
68 10D-2 0.00000 0.00000 0.07965 -0.22055 -0.00684
69 11D 0 0.00000 0.00000 0.61665 -0.42435 -0.54832
70 11D+1 0.01116 -0.94711 0.00000 0.00000 0.00000
71 11D-1 -0.23951 -0.01371 0.00000 0.00000 0.00000
72 11D+2 0.00000 0.00000 -0.70525 -0.25162 -0.16407
73 11D-2 0.00000 0.00000 -0.06776 -0.15108 0.63234
74 12D 0 0.00000 0.00000 -0.32411 0.16203 -0.07936
75 12D+1 -0.04064 0.24888 0.00000 0.00000 0.00000
76 12D-1 0.62644 -0.00178 0.00000 0.00000 0.00000
77 12D+2 0.00000 0.00000 -0.06538 0.23451 0.03060
78 12D-2 0.00000 0.00000 -0.28735 0.51202 -0.34226
79 13F 0 0.78627 -0.01326 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 -0.06973 0.19975 -0.23216
81 13F-1 0.00000 0.00000 -0.29581 -0.53087 -0.36233
82 13F+2 1.04504 0.03252 0.00000 0.00000 0.00000
83 13F-2 0.02292 0.07633 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 -0.15684 0.79408 -1.00237
85 13F-3 0.00000 0.00000 -0.36433 -0.78438 -0.60485
86 14F 0 -0.40085 0.01256 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.05007 -0.11279 0.08551
88 14F-1 0.00000 0.00000 0.21332 0.22405 0.02201
89 14F+2 -0.54175 -0.02854 0.00000 0.00000 0.00000
90 14F-2 -0.02680 -0.18839 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.11471 -0.41980 0.36767
92 14F-3 0.00000 0.00000 0.02637 0.44267 0.39241
93 3 H 1S 0.00000 0.00000 0.08970 -0.02517 0.00307
94 2S 0.00000 0.00000 -0.84354 -0.90934 -1.79576
95 3S 0.00000 0.00000 0.51720 -1.35814 -1.21793
96 4S 0.00000 0.00000 0.13912 -0.05302 -0.00173
97 5PX 0.00000 0.00000 0.00848 -0.00006 -0.05813
98 5PY 0.00000 0.00000 -0.09048 0.25992 -0.14886
99 5PZ 0.06176 0.01077 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00000 -0.36736 -0.38225 -1.09255
101 6PY 0.00000 0.00000 0.85341 -0.21914 -0.15074
102 6PZ -0.26726 -0.15818 0.00000 0.00000 0.00000
103 7PX 0.00000 0.00000 -0.11980 -0.23927 -0.40705
104 7PY 0.00000 0.00000 0.19257 0.05876 0.07742
105 7PZ -0.10685 -0.31878 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.05845 0.03291 0.05909
107 8D+1 -0.03207 -0.02802 0.00000 0.00000 0.00000
108 8D-1 -0.06833 -0.01908 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.06885 0.08361 -0.32468
110 8D-2 0.00000 0.00000 0.09982 0.17087 -0.13499
111 9D 0 0.00000 0.00000 0.08566 -0.10104 0.05103
112 9D+1 -0.11433 -0.09139 0.00000 0.00000 0.00000
113 9D-1 0.12360 -0.06815 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.06595 -0.19741 -0.23082
115 9D-2 0.00000 0.00000 0.25541 0.01213 0.12926
111 112 113 114 115
V V V V V
Eigenvalues -- 7.48934 7.61159 7.65177 14.42637 14.92866
1 1 C 1S 0.00000 -0.05707 0.04138 2.44625 -0.48517
2 2S 0.00000 -0.06669 -0.59998 12.76262 -2.30731
3 3S 0.00000 0.14034 -0.98539 -1.41829 1.78654
4 4S 0.00000 -1.10533 -0.47631 14.75975 -5.26190
5 5S 0.00000 -0.43013 -0.61456 3.00766 -0.71464
6 6PX 0.00000 0.07839 0.07370 0.19832 -0.06583
7 6PY 0.00000 0.00507 0.48553 -0.33621 -0.32276
8 6PZ 0.09060 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 -1.83961 -0.89282 -4.69389 0.70482
10 7PY 0.00000 -0.11303 1.92375 -1.48005 3.08739
11 7PZ -1.56275 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 -1.43588 -0.16439 -2.87357 0.62281
13 8PY 0.00000 -0.06219 1.23505 0.48150 1.72964
14 8PZ -0.72080 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 -0.03452 0.08047 -0.23213 -0.02540
16 9PY 0.00000 -0.06278 0.15839 0.02052 0.08492
17 9PZ 0.06272 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00000 -0.09257 0.04910 -0.66616 0.43376
19 10D+1 0.02108 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.32688 0.00000 0.00000 0.00000 0.00000
21 10D+2 0.00000 -0.04923 0.23491 -0.40590 0.57632
22 10D-2 0.00000 0.24287 -0.07109 -0.39480 0.05109
23 11D 0 0.00000 0.18673 -0.26009 -1.38311 1.87345
24 11D+1 -0.12900 0.00000 0.00000 0.00000 0.00000
25 11D-1 1.56864 0.00000 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.20647 0.16703 0.59821 3.42746
27 11D-2 0.00000 2.23178 -0.61556 -1.72079 0.83639
28 12D 0 0.00000 0.11494 0.04607 -0.03139 0.29206
29 12D+1 -0.03201 0.00000 0.00000 0.00000 0.00000
30 12D-1 0.30805 0.00000 0.00000 0.00000 0.00000
31 12D+2 0.00000 0.34946 -0.00061 0.53486 0.58607
32 12D-2 0.00000 0.81294 -0.08575 -0.33996 0.13866
33 13F 0 0.21279 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.09131 0.07800 0.27107 -0.06008
35 13F-1 0.00000 0.03884 0.08054 0.00393 -0.51414
36 13F+2 0.28139 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00466 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.33803 0.08224 0.15468 -0.09966
39 13F-3 0.00000 0.02424 0.33229 0.58124 -0.91048
40 14F 0 0.22157 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.11918 0.04717 0.14807 -0.05500
42 14F-1 0.00000 0.01582 -0.08579 -0.29109 -0.31578
43 14F+2 0.38602 0.00000 0.00000 0.00000 0.00000
44 14F-2 -0.09543 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.51582 0.01299 -0.17163 -0.52417
46 14F-3 0.00000 -0.38810 0.00270 -0.21511 -1.06333
47 2 O 1S 0.00000 0.00200 0.15376 0.43062 1.76102
48 2S 0.00000 0.03941 0.00659 1.76209 6.85683
49 3S 0.00000 0.03686 -0.60970 -0.29574 -2.48612
50 4S 0.00000 0.65308 2.93735 -8.84840 2.63378
51 5S 0.00000 0.81467 1.65532 -4.74767 0.94673
52 6PX 0.00000 -0.26685 -0.01356 -0.01887 0.00873
53 6PY 0.00000 0.02620 -0.43965 0.30990 -0.43056
54 6PZ -0.25214 0.00000 0.00000 0.00000 0.00000
55 7PX 0.00000 0.77984 0.04862 0.04823 -0.07129
56 7PY 0.00000 -0.07591 0.82440 -1.44826 3.47605
57 7PZ 0.72039 0.00000 0.00000 0.00000 0.00000
58 8PX 0.00000 2.81193 -0.28976 -0.08235 -0.16455
59 8PY 0.00000 0.22554 2.11378 -7.14047 -1.20953
60 8PZ 2.01434 0.00000 0.00000 0.00000 0.00000
61 9PX 0.00000 0.24243 -0.08744 -0.07824 0.01076
62 9PY 0.00000 0.20039 0.12772 -1.16041 -0.13020
63 9PZ 0.03687 0.00000 0.00000 0.00000 0.00000
64 10D 0 0.00000 -0.06795 0.59444 -0.08377 -0.21825
65 10D+1 0.01332 0.00000 0.00000 0.00000 0.00000
66 10D-1 -1.26867 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00000 0.12402 1.04719 -0.10836 -0.28916
68 10D-2 0.00000 -1.27319 0.03523 -0.04387 -0.02327
69 11D 0 0.00000 0.12196 -0.81586 0.77906 -0.13353
70 11D+1 -0.01314 0.00000 0.00000 0.00000 0.00000
71 11D-1 1.74804 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00000 -0.06501 -1.39729 1.28664 -0.51232
73 11D-2 0.00000 1.88690 0.00631 0.23361 0.00722
74 12D 0 0.00000 -0.01740 -0.14818 1.24210 0.81929
75 12D+1 -0.02727 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.56392 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00000 -0.10248 -0.20400 1.91217 1.03662
78 12D-2 0.00000 0.83103 -0.16965 -0.04160 -0.00070
79 13F 0 -0.13131 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 -0.06763 -0.01388 -0.00849 0.00355
81 13F-1 0.00000 0.07997 -0.22890 0.02712 -0.23742
82 13F+2 -0.13832 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.01636 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 -0.12290 -0.06527 -0.00978 0.02487
85 13F-3 0.00000 0.12042 -0.23514 0.11043 -0.26602
86 14F 0 -0.30169 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 -0.11899 0.00221 -0.05492 -0.00528
88 14F-1 0.00000 -0.02578 -0.18948 0.49066 0.46419
89 14F+2 -0.42687 0.00000 0.00000 0.00000 0.00000
90 14F-2 -0.01744 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 -0.60110 0.05086 -0.14455 -0.03404
92 14F-3 0.00000 -0.13102 -0.23270 0.51540 0.30671
93 3 H 1S 0.00000 0.10586 -0.07823 0.31001 0.14765
94 2S 0.00000 0.80101 -1.77938 -8.26943 2.16649
95 3S 0.00000 -0.22174 -0.99168 -7.46295 1.10885
96 4S 0.00000 0.07512 0.04033 -0.66871 0.10388
97 5PX 0.00000 -0.04060 -0.12228 -0.26050 0.10551
98 5PY 0.00000 -0.02234 0.08069 0.20629 -0.16947
99 5PZ 0.04920 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.11440 -0.84450 -3.86411 1.17570
101 6PY 0.00000 0.14438 0.41715 2.88790 0.52535
102 6PZ -0.27241 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00000 0.12625 -0.43943 -1.96485 0.45975
104 7PY 0.00000 0.68072 0.12774 1.53562 0.08226
105 7PZ -0.12028 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.10022 0.02432 0.44434 0.00169
107 8D+1 0.01206 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00561 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.06817 -0.08194 -0.20264 0.17157
110 8D-2 0.00000 0.03425 0.12463 0.71621 -0.12541
111 9D 0 0.00000 0.12399 0.15073 0.51252 0.03835
112 9D+1 -0.12034 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.05917 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.14366 -0.06858 -0.27339 0.40251
115 9D-2 0.00000 0.05858 0.06939 0.77256 0.04248
Alpha Density Matrix:
1 2 3 4 5
1 1 C 1S 0.99743
2 2S -0.10695 0.25694
3 3S 0.01694 0.06061 0.01621
4 4S -0.06433 0.20588 0.05001 0.19706
5 5S -0.00314 0.01542 0.00386 0.01484 0.00129
6 6PX -0.01235 0.03603 0.01032 0.05386 0.00497
7 6PY -0.00785 0.02585 0.00640 0.06493 0.00463
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
9 7PX -0.01444 0.04484 0.01322 0.07524 0.00716
10 7PY -0.01619 0.04630 0.01126 0.08618 0.00644
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PX -0.01069 0.02243 0.00672 0.03777 0.00459
13 8PY -0.01616 0.04926 0.01189 0.05638 0.00425
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PX -0.00202 0.00488 0.00130 0.00631 0.00074
16 9PY -0.00049 0.00161 0.00038 0.00130 0.00010
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00109 -0.00409 -0.00093 -0.00104 -0.00005
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
21 10D+2 0.00066 -0.00264 -0.00064 0.00176 0.00008
22 10D-2 -0.00024 0.00042 0.00027 0.00132 0.00055
23 11D 0 0.00305 -0.00780 -0.00173 -0.00365 -0.00018
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.00050 0.00008 0.00252 0.00009
27 11D-2 0.00068 0.00117 0.00087 0.00718 0.00151
28 12D 0 0.00010 -0.00118 -0.00027 -0.00173 -0.00008
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
31 12D+2 -0.00031 0.00155 0.00032 0.00016 -0.00013
32 12D-2 -0.00148 0.00383 0.00124 0.00679 0.00092
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 -0.00019 0.00078 0.00017 0.00032 0.00003
35 13F-1 -0.00013 0.00062 0.00015 -0.00016 -0.00001
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 -0.00022 0.00081 0.00020 0.00058 0.00015
39 13F-3 -0.00089 0.00360 0.00085 0.00138 0.00010
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 -0.00058 0.00161 0.00038 0.00135 0.00010
42 14F-1 0.00047 -0.00153 -0.00036 -0.00072 -0.00005
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 -0.00007 0.00101 0.00032 0.00188 0.00028
46 14F-3 -0.00128 0.00255 0.00057 0.00307 0.00019
47 2 O 1S 0.00535 -0.00725 -0.00115 0.00431 -0.00014
48 2S -0.00991 0.01128 0.00097 -0.01610 0.00091
49 3S -0.00172 0.00082 -0.00028 -0.00565 0.00018
50 4S 0.01268 -0.04623 -0.01222 -0.03366 -0.00099
51 5S -0.00019 -0.00410 -0.00106 0.00639 0.00055
52 6PX 0.00525 -0.01611 -0.00464 -0.01464 -0.00532
53 6PY -0.02477 0.06041 0.01443 0.00504 0.00004
54 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
55 7PX 0.00683 -0.02064 -0.00592 -0.01877 -0.00677
56 7PY -0.03080 0.07293 0.01737 0.00505 0.00000
57 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
58 8PX 0.00769 -0.01982 -0.00555 -0.01903 -0.00543
59 8PY -0.01047 0.01977 0.00481 -0.00720 -0.00072
60 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
61 9PX 0.00312 -0.00900 -0.00239 -0.01037 -0.00141
62 9PY -0.00019 -0.00062 -0.00012 0.00078 0.00006
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
64 10D 0 0.00067 -0.00163 -0.00038 -0.00018 -0.00001
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00124 -0.00312 -0.00074 -0.00061 -0.00005
68 10D-2 -0.00025 0.00068 0.00019 0.00116 0.00003
69 11D 0 0.00170 -0.00308 -0.00070 -0.00005 -0.00002
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00335 -0.00641 -0.00148 -0.00092 -0.00011
73 11D-2 -0.00062 0.00227 0.00062 0.00349 0.00011
74 12D 0 -0.00004 0.00102 0.00022 0.00019 -0.00003
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 -0.00002 0.00131 0.00028 0.00015 -0.00001
78 12D-2 -0.00007 0.00183 0.00054 0.00362 0.00027
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00001 -0.00004 -0.00001 -0.00009 -0.00001
81 13F-1 0.00024 -0.00075 -0.00018 -0.00009 -0.00001
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00016 -0.00039 -0.00011 -0.00062 -0.00001
85 13F-3 0.00041 -0.00124 -0.00030 -0.00024 -0.00003
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00012 -0.00036 -0.00008 -0.00027 -0.00002
88 14F-1 0.00037 -0.00010 -0.00001 0.00030 0.00001
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00011 -0.00067 -0.00017 -0.00079 -0.00004
92 14F-3 0.00067 -0.00050 -0.00010 0.00027 0.00001
93 3 H 1S -0.01208 0.03003 0.00592 0.02138 0.00020
94 2S -0.00472 0.00866 0.00038 0.00605 -0.00171
95 3S 0.01424 -0.06231 -0.01566 -0.05820 -0.00500
96 4S 0.00036 -0.00258 -0.00063 -0.00186 -0.00015
97 5PX -0.00161 0.00374 0.00083 0.00377 0.00022
98 5PY 0.00065 -0.00118 -0.00021 -0.00055 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX -0.00025 0.00093 0.00034 0.00621 0.00048
101 6PY -0.00159 0.00416 0.00097 0.00183 0.00013
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00226 -0.01059 -0.00242 -0.00654 -0.00028
104 7PY -0.00183 0.00824 0.00195 0.00612 0.00028
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00024 -0.00027 -0.00005 -0.00036 -0.00002
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 -0.00030 0.00060 0.00015 0.00106 0.00006
110 8D-2 0.00029 -0.00006 0.00001 -0.00029 -0.00002
111 9D 0 -0.00034 0.00082 0.00017 -0.00055 -0.00003
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 -0.00014 0.00058 0.00017 0.00087 0.00009
115 9D-2 -0.00042 0.00079 0.00014 -0.00045 -0.00003
6 7 8 9 10
6 6PX 0.08192
7 6PY 0.01598 0.07313
8 6PZ 0.00000 0.00000 0.02743
9 7PX 0.11414 0.02914 0.00000 0.16060
10 7PY 0.02171 0.08245 0.00000 0.03755 0.09479
11 7PZ 0.00000 0.00000 0.03565 0.00000 0.00000
12 8PX 0.05909 0.01440 0.00000 0.08512 0.01953
13 8PY 0.01545 0.03037 0.00000 0.02282 0.03751
14 8PZ 0.00000 0.00000 0.01589 0.00000 0.00000
15 9PX 0.00534 0.00282 0.00000 0.00801 0.00374
16 9PY 0.00007 0.00023 0.00000 0.00005 0.00040
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00190 0.00246 0.00000 0.00309 0.00243
19 10D+1 0.00000 0.00000 -0.00022 0.00000 0.00000
20 10D-1 0.00000 0.00000 -0.00396 0.00000 0.00000
21 10D+2 -0.00023 0.00629 0.00000 0.00046 0.00664
22 10D-2 0.00411 0.00025 0.00000 0.00652 0.00077
23 11D 0 0.00360 0.00183 0.00000 0.00557 0.00156
24 11D+1 0.00000 0.00000 -0.00043 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.00608 0.00000 0.00000
26 11D+2 -0.00181 0.00438 0.00000 -0.00212 0.00474
27 11D-2 0.01680 0.00441 0.00000 0.02536 0.00597
28 12D 0 0.00103 -0.00192 0.00000 0.00129 -0.00211
29 12D+1 0.00000 0.00000 -0.00069 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00021 0.00000 0.00000
31 12D+2 -0.00069 -0.00139 0.00000 -0.00152 -0.00148
32 12D-2 0.01287 0.00196 0.00000 0.01848 0.00291
33 13F 0 0.00000 0.00000 -0.00078 0.00000 0.00000
34 13F+1 -0.00058 -0.00017 0.00000 -0.00084 -0.00013
35 13F-1 0.00009 -0.00107 0.00000 -0.00001 -0.00114
36 13F+2 0.00000 0.00000 -0.00114 0.00000 0.00000
37 13F-2 0.00000 0.00000 -0.00006 0.00000 0.00000
38 13F+3 -0.00047 0.00023 0.00000 -0.00044 0.00041
39 13F-3 -0.00064 -0.00177 0.00000 -0.00122 -0.00170
40 14F 0 0.00000 0.00000 -0.00034 0.00000 0.00000
41 14F+1 0.00009 0.00031 0.00000 0.00011 0.00046
42 14F-1 0.00040 0.00048 0.00000 0.00066 0.00044
43 14F+2 0.00000 0.00000 -0.00075 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00012 0.00000 0.00000
45 14F+3 0.00200 0.00123 0.00000 0.00311 0.00158
46 14F-3 -0.00015 0.00221 0.00000 -0.00013 0.00262
47 2 O 1S 0.00165 0.01590 0.00000 0.00647 0.01053
48 2S -0.00526 -0.03748 0.00000 -0.01586 -0.02948
49 3S -0.00167 -0.00948 0.00000 -0.00452 -0.00741
50 4S -0.00608 0.00232 0.00000 -0.00987 0.00777
51 5S 0.00464 0.01421 0.00000 0.00769 0.01618
52 6PX 0.00221 -0.00753 0.00000 -0.00598 -0.01351
53 6PY -0.00497 -0.06310 0.00000 -0.01429 -0.06848
54 6PZ 0.00000 0.00000 0.04811 0.00000 0.00000
55 7PX 0.00292 -0.00971 0.00000 -0.00746 -0.01733
56 7PY -0.00621 -0.07781 0.00000 -0.01774 -0.08438
57 7PZ 0.00000 0.00000 0.06218 0.00000 0.00000
58 8PX -0.00461 -0.00779 0.00000 -0.01474 -0.01393
59 8PY -0.00354 -0.03507 0.00000 -0.00799 -0.03966
60 8PZ 0.00000 0.00000 0.04266 0.00000 0.00000
61 9PX -0.00722 -0.00410 0.00000 -0.01132 -0.00584
62 9PY 0.00100 0.00170 0.00000 0.00168 0.00173
63 9PZ 0.00000 0.00000 0.00351 0.00000 0.00000
64 10D 0 0.00016 0.00160 0.00000 0.00044 0.00167
65 10D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00180 0.00000 0.00000
67 10D+2 0.00005 0.00272 0.00000 0.00044 0.00282
68 10D-2 0.00197 0.00036 0.00000 0.00258 0.00040
69 11D 0 0.00035 0.00350 0.00000 0.00094 0.00364
70 11D+1 0.00000 0.00000 -0.00011 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00512 0.00000 0.00000
72 11D+2 -0.00012 0.00622 0.00000 0.00065 0.00642
73 11D-2 0.00543 0.00101 0.00000 0.00713 0.00116
74 12D 0 -0.00057 -0.00070 0.00000 -0.00103 -0.00069
75 12D+1 0.00000 0.00000 -0.00003 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00210 0.00000 0.00000
77 12D+2 -0.00080 -0.00103 0.00000 -0.00140 -0.00095
78 12D-2 0.00447 0.00216 0.00000 0.00628 0.00255
79 13F 0 0.00000 0.00000 -0.00049 0.00000 0.00000
80 13F+1 -0.00023 -0.00001 0.00000 -0.00032 -0.00002
81 13F-1 0.00011 0.00072 0.00000 0.00026 0.00074
82 13F+2 0.00000 0.00000 -0.00083 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 -0.00113 -0.00013 0.00000 -0.00147 -0.00014
85 13F-3 -0.00001 0.00110 0.00000 0.00014 0.00112
86 14F 0 0.00000 0.00000 -0.00028 0.00000 0.00000
87 14F+1 0.00003 -0.00004 0.00000 0.00006 -0.00007
88 14F-1 -0.00004 0.00064 0.00000 -0.00001 0.00070
89 14F+2 0.00000 0.00000 -0.00058 0.00000 0.00000
90 14F-2 0.00000 0.00000 -0.00003 0.00000 0.00000
91 14F+3 -0.00074 -0.00023 0.00000 -0.00097 -0.00029
92 14F-3 -0.00005 0.00106 0.00000 0.00005 0.00114
93 3 H 1S -0.04083 0.01592 0.00000 -0.05736 0.01796
94 2S -0.06014 0.02314 0.00000 -0.08348 0.02332
95 3S -0.02764 -0.01270 0.00000 -0.03833 -0.01938
96 4S 0.00014 -0.00009 0.00000 0.00027 -0.00032
97 5PX -0.00155 0.00250 0.00000 -0.00204 0.00294
98 5PY 0.00259 -0.00052 0.00000 0.00358 -0.00059
99 5PZ 0.00000 0.00000 0.00043 0.00000 0.00000
100 6PX 0.00480 0.00757 0.00000 0.00755 0.00836
101 6PY 0.00082 -0.00223 0.00000 0.00062 -0.00209
102 6PZ 0.00000 0.00000 0.00150 0.00000 0.00000
103 7PX 0.00447 0.00002 0.00000 0.00686 -0.00051
104 7PY 0.00074 0.00007 0.00000 0.00033 0.00056
105 7PZ 0.00000 0.00000 -0.00080 0.00000 0.00000
106 8D 0 0.00027 -0.00040 0.00000 0.00033 -0.00044
107 8D+1 0.00000 0.00000 0.00016 0.00000 0.00000
108 8D-1 0.00000 0.00000 -0.00019 0.00000 0.00000
109 8D+2 0.00050 0.00088 0.00000 0.00074 0.00100
110 8D-2 0.00076 -0.00073 0.00000 0.00095 -0.00078
111 9D 0 -0.00123 -0.00143 0.00000 -0.00185 -0.00152
112 9D+1 0.00000 0.00000 -0.00005 0.00000 0.00000
113 9D-1 0.00000 0.00000 -0.00013 0.00000 0.00000
114 9D+2 0.00104 0.00038 0.00000 0.00150 0.00047
115 9D-2 -0.00139 -0.00117 0.00000 -0.00210 -0.00120
11 12 13 14 15
11 7PZ 0.04634
12 8PX 0.00000 0.05190
13 8PY 0.00000 0.01099 0.01953
14 8PZ 0.02065 0.00000 0.00000 0.00921
15 9PX 0.00000 0.00565 0.00191 0.00000 0.00076
16 9PY 0.00000 -0.00001 0.00037 0.00000 0.00002
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.00176 0.00027 0.00000 0.00017
19 10D+1 -0.00029 0.00000 0.00000 -0.00013 0.00000
20 10D-1 -0.00514 0.00000 0.00000 -0.00229 0.00000
21 10D+2 0.00000 0.00021 0.00169 0.00000 0.00011
22 10D-2 0.00000 0.00612 0.00022 0.00000 0.00086
23 11D 0 0.00000 0.00331 -0.00042 0.00000 0.00027
24 11D+1 -0.00056 0.00000 0.00000 -0.00025 0.00000
25 11D-1 -0.00790 0.00000 0.00000 -0.00352 0.00000
26 11D+2 0.00000 -0.00141 0.00148 0.00000 -0.00006
27 11D-2 0.00000 0.01861 0.00225 0.00000 0.00230
28 12D 0 0.00000 0.00082 -0.00076 0.00000 0.00003
29 12D+1 -0.00090 0.00000 0.00000 -0.00040 0.00000
30 12D-1 0.00027 0.00000 0.00000 0.00012 0.00000
31 12D+2 0.00000 -0.00191 -0.00010 0.00000 -0.00031
32 12D-2 0.00000 0.01140 0.00182 0.00000 0.00122
33 13F 0 -0.00102 0.00000 0.00000 -0.00045 0.00000
34 13F+1 0.00000 -0.00038 0.00003 0.00000 -0.00002
35 13F-1 0.00000 -0.00001 -0.00028 0.00000 -0.00002
36 13F+2 -0.00148 0.00000 0.00000 -0.00066 0.00000
37 13F-2 -0.00008 0.00000 0.00000 -0.00004 0.00000
38 13F+3 0.00000 0.00052 0.00015 0.00000 0.00016
39 13F-3 0.00000 -0.00070 -0.00008 0.00000 -0.00006
40 14F 0 -0.00044 0.00000 0.00000 -0.00020 0.00000
41 14F+1 0.00000 0.00007 0.00036 0.00000 0.00003
42 14F-1 0.00000 0.00037 -0.00004 0.00000 0.00003
43 14F+2 -0.00098 0.00000 0.00000 -0.00043 0.00000
44 14F-2 0.00016 0.00000 0.00000 0.00007 0.00000
45 14F+3 0.00000 0.00241 0.00065 0.00000 0.00033
46 14F-3 0.00000 -0.00029 0.00121 0.00000 0.00002
47 2 O 1S 0.00000 0.00354 -0.00106 0.00000 0.00045
48 2S 0.00000 -0.00980 0.00147 0.00000 -0.00139
49 3S 0.00000 -0.00284 0.00039 0.00000 -0.00041
50 4S 0.00000 -0.00605 0.00359 0.00000 -0.00085
51 5S 0.00000 0.00345 0.00555 0.00000 0.00047
52 6PX 0.00000 -0.03255 -0.00333 0.00000 -0.00686
53 6PY 0.00000 -0.00653 -0.01703 0.00000 -0.00113
54 6PZ 0.06252 0.00000 0.00000 0.02787 0.00000
55 7PX 0.00000 -0.04131 -0.00431 0.00000 -0.00872
56 7PY 0.00000 -0.00807 -0.02106 0.00000 -0.00140
57 7PZ 0.08081 0.00000 0.00000 0.03602 0.00000
58 8PX 0.00000 -0.03505 -0.00449 0.00000 -0.00682
59 8PY 0.00000 -0.00245 -0.01259 0.00000 -0.00054
60 8PZ 0.05545 0.00000 0.00000 0.02471 0.00000
61 9PX 0.00000 -0.00972 -0.00299 0.00000 -0.00146
62 9PY 0.00000 0.00101 0.00039 0.00000 0.00012
63 9PZ 0.00457 0.00000 0.00000 0.00204 0.00000
64 10D 0 0.00000 0.00023 0.00034 0.00000 0.00003
65 10D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00234 0.00000 0.00000 0.00104 0.00000
67 10D+2 0.00000 0.00020 0.00054 0.00000 0.00004
68 10D-2 0.00000 0.00077 0.00036 0.00000 0.00000
69 11D 0 0.00000 0.00042 0.00079 0.00000 0.00006
70 11D+1 -0.00014 0.00000 0.00000 -0.00006 0.00000
71 11D-1 0.00666 0.00000 0.00000 0.00297 0.00000
72 11D+2 0.00000 0.00019 0.00126 0.00000 0.00006
73 11D-2 0.00000 0.00220 0.00107 0.00000 0.00002
74 12D 0 0.00000 -0.00088 -0.00002 0.00000 -0.00012
75 12D+1 -0.00004 0.00000 0.00000 -0.00002 0.00000
76 12D-1 0.00273 0.00000 0.00000 0.00122 0.00000
77 12D+2 0.00000 -0.00104 -0.00001 0.00000 -0.00013
78 12D-2 0.00000 0.00291 0.00130 0.00000 0.00025
79 13F 0 -0.00064 0.00000 0.00000 -0.00028 0.00000
80 13F+1 0.00000 -0.00014 -0.00002 0.00000 -0.00001
81 13F-1 0.00000 0.00015 0.00014 0.00000 0.00002
82 13F+2 -0.00107 0.00000 0.00000 -0.00048 0.00000
83 13F-2 0.00001 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 -0.00043 -0.00018 0.00000 0.00000
85 13F-3 0.00000 0.00004 0.00020 0.00000 0.00001
86 14F 0 -0.00036 0.00000 0.00000 -0.00016 0.00000
87 14F+1 0.00000 0.00005 -0.00007 0.00000 0.00000
88 14F-1 0.00000 -0.00009 0.00022 0.00000 -0.00001
89 14F+2 -0.00075 0.00000 0.00000 -0.00033 0.00000
90 14F-2 -0.00004 0.00000 0.00000 -0.00002 0.00000
91 14F+3 0.00000 -0.00029 -0.00024 0.00000 -0.00001
92 14F-3 0.00000 -0.00002 0.00031 0.00000 0.00001
93 3 H 1S 0.00000 -0.03520 0.00817 0.00000 -0.00286
94 2S 0.00000 -0.05175 0.00625 0.00000 -0.00465
95 3S 0.00000 -0.02193 -0.01555 0.00000 -0.00293
96 4S 0.00000 0.00010 -0.00046 0.00000 -0.00003
97 5PX 0.00000 -0.00126 0.00135 0.00000 -0.00004
98 5PY 0.00000 0.00190 -0.00021 0.00000 0.00013
99 5PZ 0.00056 0.00000 0.00000 0.00025 0.00000
100 6PX 0.00000 0.00405 0.00286 0.00000 0.00050
101 6PY 0.00000 -0.00005 0.00004 0.00000 -0.00005
102 6PZ 0.00194 0.00000 0.00000 0.00087 0.00000
103 7PX 0.00000 0.00467 -0.00146 0.00000 0.00040
104 7PY 0.00000 -0.00127 0.00151 0.00000 -0.00020
105 7PZ -0.00104 0.00000 0.00000 -0.00046 0.00000
106 8D 0 0.00000 0.00015 -0.00015 0.00000 0.00000
107 8D+1 0.00020 0.00000 0.00000 0.00009 0.00000
108 8D-1 -0.00024 0.00000 0.00000 -0.00011 0.00000
109 8D+2 0.00000 0.00027 0.00043 0.00000 0.00003
110 8D-2 0.00000 0.00042 -0.00020 0.00000 0.00001
111 9D 0 0.00000 -0.00083 -0.00044 0.00000 -0.00007
112 9D+1 -0.00006 0.00000 0.00000 -0.00003 0.00000
113 9D-1 -0.00017 0.00000 0.00000 -0.00008 0.00000
114 9D+2 0.00000 0.00090 0.00024 0.00000 0.00010
115 9D-2 0.00000 -0.00109 -0.00030 0.00000 -0.00010
16 17 18 19 20
16 9PY 0.00001
17 9PZ 0.00000 0.00000
18 10D 0 -0.00003 0.00000 0.00025
19 10D+1 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00003 0.00057
21 10D+2 -0.00002 0.00000 0.00030 0.00000 0.00000
22 10D-2 -0.00002 0.00000 0.00017 0.00000 0.00000
23 11D 0 -0.00006 0.00000 0.00036 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00006
25 11D-1 0.00000 0.00000 0.00000 0.00005 0.00088
26 11D+2 0.00001 0.00000 0.00010 0.00000 0.00000
27 11D-2 -0.00005 0.00000 0.00071 0.00000 0.00000
28 12D 0 -0.00001 0.00000 -0.00002 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00001 0.00010
30 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00003
31 12D+2 0.00002 0.00000 -0.00014 0.00000 0.00000
32 12D-2 -0.00001 0.00000 0.00037 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00001 0.00011
34 13F+1 0.00001 0.00000 -0.00004 0.00000 0.00000
35 13F-1 0.00000 0.00000 -0.00005 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00001 0.00016
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00001
38 13F+3 0.00000 0.00000 -0.00001 0.00000 0.00000
39 13F-3 0.00002 0.00000 -0.00017 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00005
41 14F+1 0.00001 0.00000 -0.00002 0.00000 0.00000
42 14F-1 -0.00001 0.00000 0.00006 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00001 0.00011
44 14F-2 0.00000 0.00000 0.00000 0.00000 -0.00002
45 14F+3 0.00000 0.00000 0.00009 0.00000 0.00000
46 14F-3 0.00002 0.00000 0.00001 0.00000 0.00000
47 2 O 1S -0.00048 0.00000 0.00125 0.00000 0.00000
48 2S 0.00097 0.00000 -0.00324 0.00000 0.00000
49 3S 0.00025 0.00000 -0.00083 0.00000 0.00000
50 4S 0.00043 0.00000 -0.00012 0.00000 0.00000
51 5S 0.00005 0.00000 0.00062 0.00000 0.00000
52 6PX -0.00001 0.00000 -0.00050 0.00000 0.00000
53 6PY 0.00006 0.00000 -0.00340 0.00000 0.00000
54 6PZ 0.00000 -0.00001 0.00000 -0.00039 -0.00694
55 7PX -0.00001 0.00000 -0.00064 0.00000 0.00000
56 7PY 0.00008 0.00000 -0.00418 0.00000 0.00000
57 7PZ 0.00000 -0.00001 0.00000 -0.00051 -0.00896
58 8PX -0.00003 0.00000 -0.00056 0.00000 0.00000
59 8PY -0.00013 0.00000 -0.00146 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 -0.00035 -0.00615
61 9PX -0.00003 0.00000 -0.00021 0.00000 0.00000
62 9PY -0.00002 0.00000 0.00012 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 -0.00003 -0.00051
64 10D 0 -0.00001 0.00000 0.00010 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 -0.00001 -0.00026
67 10D+2 -0.00001 0.00000 0.00017 0.00000 0.00000
68 10D-2 0.00000 0.00000 0.00004 0.00000 0.00000
69 11D 0 -0.00002 0.00000 0.00021 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00002
71 11D-1 0.00000 0.00000 0.00000 -0.00004 -0.00074
72 11D+2 -0.00003 0.00000 0.00036 0.00000 0.00000
73 11D-2 0.00001 0.00000 0.00009 0.00000 0.00000
74 12D 0 0.00001 0.00000 -0.00008 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 -0.00002 -0.00030
77 12D+2 0.00002 0.00000 -0.00012 0.00000 0.00000
78 12D-2 0.00001 0.00000 0.00015 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00007
80 13F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00005 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00001 0.00012
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 -0.00002 0.00000 0.00000
85 13F-3 -0.00001 0.00000 0.00007 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00004
87 14F+1 0.00000 0.00000 0.00001 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00002 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00008
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 -0.00001 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00005 0.00000 0.00000
93 3 H 1S 0.00033 0.00000 -0.00133 0.00000 0.00000
94 2S 0.00024 0.00000 -0.00111 0.00000 0.00000
95 3S -0.00038 0.00000 0.00026 0.00000 0.00000
96 4S -0.00002 0.00000 0.00007 0.00000 0.00000
97 5PX 0.00003 0.00000 -0.00004 0.00000 0.00000
98 5PY -0.00001 0.00000 0.00008 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00006
100 6PX -0.00001 0.00000 0.00040 0.00000 0.00000
101 6PY 0.00003 0.00000 -0.00018 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 -0.00001 -0.00022
103 7PX -0.00009 0.00000 0.00040 0.00000 0.00000
104 7PY 0.00007 0.00000 -0.00022 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00001 0.00012
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00002
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00003
109 8D+2 0.00000 0.00000 0.00003 0.00000 0.00000
110 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
111 9D 0 0.00001 0.00000 -0.00010 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002
114 9D+2 0.00000 0.00000 0.00003 0.00000 0.00000
115 9D-2 0.00001 0.00000 -0.00011 0.00000 0.00000
21 22 23 24 25
21 10D+2 0.00067
22 10D-2 -0.00004 0.00132
23 11D 0 0.00028 0.00038 0.00061
24 11D+1 0.00000 0.00000 0.00000 0.00001
25 11D-1 0.00000 0.00000 0.00000 0.00010 0.00135
26 11D+2 0.00044 -0.00024 -0.00001 0.00000 0.00000
27 11D-2 0.00019 0.00307 0.00136 0.00000 0.00000
28 12D 0 -0.00018 0.00013 0.00006 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00001 0.00015
30 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00005
31 12D+2 -0.00017 -0.00049 -0.00022 0.00000 0.00000
32 12D-2 -0.00005 0.00139 0.00074 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00001 0.00017
34 13F+1 -0.00002 -0.00001 -0.00007 0.00000 0.00000
35 13F-1 -0.00011 0.00001 -0.00005 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00002 0.00025
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00001
38 13F+3 0.00001 0.00027 -0.00001 0.00000 0.00000
39 13F-3 -0.00023 -0.00007 -0.00024 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00001 0.00008
41 14F+1 0.00000 0.00000 -0.00005 0.00000 0.00000
42 14F-1 0.00007 0.00004 0.00010 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00001 0.00017
44 14F-2 0.00000 0.00000 0.00000 0.00000 -0.00003
45 14F+3 0.00007 0.00042 0.00015 0.00000 0.00000
46 14F-3 0.00016 -0.00011 -0.00007 0.00000 0.00000
47 2 O 1S 0.00224 0.00013 0.00106 0.00000 0.00000
48 2S -0.00597 -0.00033 -0.00323 0.00000 0.00000
49 3S -0.00154 -0.00011 -0.00081 0.00000 0.00000
50 4S -0.00058 -0.00011 0.00053 0.00000 0.00000
51 5S 0.00121 0.00004 0.00070 0.00000 0.00000
52 6PX -0.00045 -0.01166 -0.00115 0.00000 0.00000
53 6PY -0.00642 -0.00013 -0.00407 0.00000 0.00000
54 6PZ 0.00000 0.00000 0.00000 -0.00075 -0.01066
55 7PX -0.00059 -0.01482 -0.00145 0.00000 0.00000
56 7PY -0.00792 -0.00013 -0.00498 0.00000 0.00000
57 7PZ 0.00000 0.00000 0.00000 -0.00097 -0.01378
58 8PX -0.00032 -0.01119 -0.00127 0.00000 0.00000
59 8PY -0.00314 0.00039 -0.00157 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 -0.00067 -0.00945
61 9PX -0.00013 -0.00189 -0.00038 0.00000 0.00000
62 9PY 0.00019 0.00010 0.00015 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 -0.00006 -0.00078
64 10D 0 0.00018 0.00001 0.00012 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 -0.00003 -0.00040
67 10D+2 0.00031 0.00000 0.00020 0.00000 0.00000
68 10D-2 0.00000 -0.00013 0.00006 0.00000 0.00000
69 11D 0 0.00038 0.00000 0.00024 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00002
71 11D-1 0.00000 0.00000 0.00000 -0.00008 -0.00114
72 11D+2 0.00070 -0.00006 0.00042 0.00000 0.00000
73 11D-2 -0.00002 -0.00033 0.00016 0.00000 0.00000
74 12D 0 -0.00009 -0.00017 -0.00012 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00001
76 12D-1 0.00000 0.00000 0.00000 -0.00003 -0.00047
77 12D+2 -0.00014 -0.00016 -0.00016 0.00000 0.00000
78 12D-2 0.00011 0.00008 0.00022 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00001 0.00011
80 13F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
81 13F-1 0.00008 0.00001 0.00006 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00001 0.00018
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00001 0.00008 -0.00003 0.00000 0.00000
85 13F-3 0.00013 -0.00001 0.00008 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00006
87 14F+1 0.00000 0.00001 0.00002 0.00000 0.00000
88 14F-1 0.00006 -0.00004 0.00001 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00001 0.00013
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00001
91 14F+3 0.00000 0.00005 -0.00001 0.00000 0.00000
92 14F-3 0.00011 -0.00002 0.00004 0.00000 0.00000
93 3 H 1S 0.00152 -0.00454 -0.00343 0.00000 0.00000
94 2S 0.00292 -0.00672 -0.00359 0.00000 0.00000
95 3S 0.00036 -0.00203 0.00055 0.00000 0.00000
96 4S 0.00004 0.00000 0.00011 0.00000 0.00000
97 5PX 0.00019 -0.00019 -0.00018 0.00000 0.00000
98 5PY -0.00007 0.00016 0.00018 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 -0.00001 -0.00010
100 6PX 0.00067 0.00028 0.00047 0.00000 0.00000
101 6PY -0.00032 -0.00011 -0.00022 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 -0.00002 -0.00033
103 7PX 0.00015 0.00072 0.00076 0.00000 0.00000
104 7PY -0.00018 -0.00057 -0.00039 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00001 0.00018
106 8D 0 -0.00004 0.00001 0.00001 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00003
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00004
109 8D+2 0.00007 -0.00003 0.00002 0.00000 0.00000
110 8D-2 -0.00008 0.00001 0.00002 0.00000 0.00000
111 9D 0 -0.00014 -0.00001 -0.00014 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00003
114 9D+2 0.00002 0.00010 0.00006 0.00000 0.00000
115 9D-2 -0.00012 -0.00007 -0.00015 0.00000 0.00000
26 27 28 29 30
26 11D+2 0.00038
27 11D-2 -0.00050 0.00806
28 12D 0 -0.00017 0.00031 0.00009
29 12D+1 0.00000 0.00000 0.00000 0.00002
30 12D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
31 12D+2 -0.00004 -0.00114 0.00001 0.00000 0.00000
32 12D-2 -0.00039 0.00415 0.00022 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00002 -0.00001
34 13F+1 0.00001 -0.00010 -0.00001 0.00000 0.00000
35 13F-1 -0.00008 -0.00003 0.00003 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00003 -0.00001
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00049 0.00000 0.00000 0.00000
39 13F-3 -0.00010 -0.00034 0.00002 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00001 0.00000
41 14F+1 0.00002 0.00000 -0.00001 0.00000 0.00000
42 14F-1 0.00002 0.00016 0.00000 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00002 -0.00001
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 -0.00002 0.00108 0.00002 0.00000 0.00000
46 14F-3 0.00016 -0.00021 -0.00008 0.00000 0.00000
47 2 O 1S 0.00020 0.00207 -0.00072 0.00000 0.00000
48 2S -0.00333 -0.00436 0.00179 0.00000 0.00000
49 3S -0.00091 -0.00118 0.00048 0.00000 0.00000
50 4S -0.00041 -0.00120 0.00068 0.00000 0.00000
51 5S 0.00074 0.00105 -0.00025 0.00000 0.00000
52 6PX 0.00058 -0.02308 -0.00024 0.00000 0.00000
53 6PY -0.00381 -0.00369 0.00122 0.00000 0.00000
54 6PZ 0.00000 0.00000 0.00000 -0.00121 0.00036
55 7PX 0.00072 -0.02932 -0.00030 0.00000 0.00000
56 7PY -0.00471 -0.00450 0.00153 0.00000 0.00000
57 7PZ 0.00000 0.00000 0.00000 -0.00157 0.00047
58 8PX 0.00072 -0.02278 -0.00032 0.00000 0.00000
59 8PY -0.00206 -0.00086 0.00069 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 -0.00107 0.00032
61 9PX 0.00013 -0.00452 -0.00006 0.00000 0.00000
62 9PY 0.00009 0.00040 -0.00003 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 -0.00009 0.00003
64 10D 0 0.00010 0.00013 -0.00003 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 -0.00005 0.00001
67 10D+2 0.00018 0.00015 -0.00006 0.00000 0.00000
68 10D-2 -0.00002 -0.00005 0.00002 0.00000 0.00000
69 11D 0 0.00022 0.00021 -0.00008 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 -0.00013 0.00004
72 11D+2 0.00043 0.00021 -0.00015 0.00000 0.00000
73 11D-2 -0.00006 -0.00008 0.00004 0.00000 0.00000
74 12D 0 -0.00002 -0.00045 0.00000 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 -0.00005 0.00002
77 12D+2 -0.00004 -0.00049 0.00001 0.00000 0.00000
78 12D-2 0.00000 0.00069 0.00001 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00001 0.00000
80 13F+1 0.00001 -0.00003 0.00000 0.00000 0.00000
81 13F-1 0.00004 0.00007 -0.00002 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00002 -0.00001
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00002 0.00004 -0.00001 0.00000 0.00000
85 13F-3 0.00008 0.00004 -0.00003 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00001 0.00000
87 14F+1 0.00000 0.00003 0.00000 0.00000 0.00000
88 14F-1 0.00005 -0.00006 -0.00002 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00001 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00003 0.00000 0.00000 0.00000
92 14F-3 0.00007 0.00000 -0.00003 0.00000 0.00000
93 3 H 1S 0.00272 -0.01330 -0.00152 0.00000 0.00000
94 2S 0.00403 -0.01902 -0.00211 0.00000 0.00000
95 3S 0.00023 -0.00632 0.00002 0.00000 0.00000
96 4S -0.00001 0.00006 0.00001 0.00000 0.00000
97 5PX 0.00023 -0.00051 -0.00012 0.00000 0.00000
98 5PY -0.00013 0.00060 0.00007 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
100 6PX 0.00035 0.00134 -0.00014 0.00000 0.00000
101 6PY -0.00018 -0.00030 0.00007 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 -0.00004 0.00001
103 7PX -0.00019 0.00210 0.00015 0.00000 0.00000
104 7PY 0.00002 -0.00121 -0.00004 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00002 -0.00001
106 8D 0 -0.00004 0.00003 0.00002 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00005 0.00002 -0.00002 0.00000 0.00000
110 8D-2 -0.00007 0.00008 0.00004 0.00000 0.00000
111 9D 0 -0.00006 -0.00022 0.00002 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 -0.00001 0.00031 0.00001 0.00000 0.00000
115 9D-2 -0.00004 -0.00035 0.00001 0.00000 0.00000
31 32 33 34 35
31 12D+2 0.00026
32 12D-2 -0.00042 0.00253
33 13F 0 0.00000 0.00000 0.00002
34 13F+1 0.00001 -0.00008 0.00000 0.00001
35 13F-1 0.00003 0.00001 0.00000 0.00000 0.00002
36 13F+2 0.00000 0.00000 0.00003 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 -0.00011 0.00012 0.00000 0.00001 0.00000
39 13F-3 0.00009 -0.00014 0.00000 0.00003 0.00004
40 14F 0 0.00000 0.00000 0.00001 0.00000 0.00000
41 14F+1 0.00001 0.00001 0.00000 0.00001 0.00000
42 14F-1 -0.00003 0.00008 0.00000 -0.00001 -0.00001
43 14F+2 0.00000 0.00000 0.00002 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 -0.00016 0.00053 0.00000 -0.00001 -0.00001
46 14F-3 0.00002 -0.00011 0.00000 0.00001 -0.00003
47 2 O 1S -0.00131 0.00059 0.00000 -0.00021 -0.00024
48 2S 0.00353 -0.00156 0.00000 0.00039 0.00058
49 3S 0.00096 -0.00047 0.00000 0.00010 0.00014
50 4S 0.00149 -0.00121 0.00000 0.00001 -0.00028
51 5S -0.00014 0.00056 0.00000 -0.00007 -0.00024
52 6PX 0.00483 -0.00740 0.00000 -0.00034 0.00010
53 6PY 0.00118 -0.00063 0.00000 0.00038 0.00128
54 6PZ 0.00000 0.00000 -0.00138 0.00000 0.00000
55 7PX 0.00614 -0.00939 0.00000 -0.00043 0.00013
56 7PY 0.00147 -0.00078 0.00000 0.00046 0.00157
57 7PZ 0.00000 0.00000 -0.00178 0.00000 0.00000
58 8PX 0.00452 -0.00793 0.00000 -0.00027 0.00007
59 8PY 0.00018 -0.00004 0.00000 0.00015 0.00066
60 8PZ 0.00000 0.00000 -0.00122 0.00000 0.00000
61 9PX 0.00070 -0.00212 0.00000 0.00000 0.00002
62 9PY -0.00010 0.00020 0.00000 -0.00002 -0.00003
63 9PZ 0.00000 0.00000 -0.00010 0.00000 0.00000
64 10D 0 -0.00005 0.00003 0.00000 -0.00001 -0.00003
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 -0.00005 0.00000 0.00000
67 10D+2 -0.00008 0.00001 0.00000 -0.00002 -0.00006
68 10D-2 0.00008 0.00016 0.00000 -0.00002 0.00000
69 11D 0 -0.00010 0.00005 0.00000 -0.00002 -0.00007
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 -0.00015 0.00000 0.00000
72 11D+2 -0.00016 -0.00004 0.00000 -0.00004 -0.00013
73 11D-2 0.00020 0.00046 0.00000 -0.00005 0.00001
74 12D 0 0.00010 -0.00019 0.00000 0.00001 0.00001
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 -0.00006 0.00000 0.00000
77 12D+2 0.00012 -0.00022 0.00000 0.00002 0.00002
78 12D-2 -0.00001 0.00061 0.00000 -0.00004 -0.00002
79 13F 0 0.00000 0.00000 0.00001 0.00000 0.00000
80 13F+1 0.00000 -0.00003 0.00000 0.00000 0.00000
81 13F-1 -0.00003 0.00002 0.00000 -0.00001 -0.00001
82 13F+2 0.00000 0.00000 0.00002 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 -0.00005 -0.00009 0.00000 0.00001 0.00000
85 13F-3 -0.00003 0.00000 0.00000 -0.00001 -0.00002
86 14F 0 0.00000 0.00000 0.00001 0.00000 0.00000
87 14F+1 -0.00001 0.00001 0.00000 0.00000 0.00000
88 14F-1 0.00000 -0.00003 0.00000 0.00000 -0.00001
89 14F+2 0.00000 0.00000 0.00002 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 -0.00003 -0.00006 0.00000 0.00001 0.00000
92 14F-3 -0.00002 -0.00002 0.00000 0.00000 -0.00002
93 3 H 1S 0.00116 -0.00829 0.00000 0.00041 -0.00026
94 2S 0.00140 -0.01208 0.00000 0.00044 -0.00050
95 3S 0.00022 -0.00455 0.00000 -0.00004 -0.00009
96 4S -0.00002 0.00003 0.00000 -0.00001 -0.00001
97 5PX 0.00002 -0.00034 0.00000 0.00002 -0.00003
98 5PY -0.00003 0.00044 0.00000 -0.00003 0.00001
99 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
100 6PX -0.00025 0.00078 0.00000 -0.00005 -0.00011
101 6PY 0.00016 0.00001 0.00000 0.00002 0.00005
102 6PZ 0.00000 0.00000 -0.00004 0.00000 0.00000
103 7PX -0.00033 0.00109 0.00000 -0.00008 -0.00003
104 7PY 0.00032 -0.00032 0.00000 0.00002 0.00003
105 7PZ 0.00000 0.00000 0.00002 0.00000 0.00000
106 8D 0 0.00001 0.00004 0.00000 0.00000 0.00001
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000
109 8D+2 0.00000 0.00004 0.00000 0.00000 -0.00001
110 8D-2 0.00002 0.00011 0.00000 -0.00001 0.00001
111 9D 0 0.00003 -0.00016 0.00000 0.00002 0.00002
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 -0.00004 0.00019 0.00000 -0.00001 0.00000
115 9D-2 0.00006 -0.00023 0.00000 0.00002 0.00002
36 37 38 39 40
36 13F+2 0.00005
37 13F-2 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00009
39 13F-3 0.00000 0.00000 0.00001 0.00013
40 14F 0 0.00001 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00001 0.00002 0.00000
42 14F-1 0.00000 0.00000 0.00000 -0.00005 0.00000
43 14F+2 0.00003 0.00000 0.00000 0.00000 0.00001
44 14F-2 -0.00001 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00008 -0.00005 0.00000
46 14F-3 0.00000 0.00000 0.00000 -0.00001 0.00000
47 2 O 1S 0.00000 0.00000 -0.00010 -0.00090 0.00000
48 2S 0.00000 0.00000 0.00016 0.00190 0.00000
49 3S 0.00000 0.00000 0.00004 0.00046 0.00000
50 4S 0.00000 0.00000 0.00007 -0.00042 0.00000
51 5S 0.00000 0.00000 -0.00002 -0.00049 0.00000
52 6PX 0.00000 0.00000 -0.00339 0.00020 0.00000
53 6PY 0.00000 0.00000 0.00000 0.00279 0.00000
54 6PZ -0.00200 -0.00011 0.00000 0.00000 -0.00060
55 7PX 0.00000 0.00000 -0.00432 0.00025 0.00000
56 7PY 0.00000 0.00000 0.00000 0.00342 0.00000
57 7PZ -0.00258 -0.00014 0.00000 0.00000 -0.00077
58 8PX 0.00000 0.00000 -0.00313 0.00019 0.00000
59 8PY 0.00000 0.00000 0.00005 0.00125 0.00000
60 8PZ -0.00177 -0.00010 0.00000 0.00000 -0.00053
61 9PX 0.00000 0.00000 -0.00042 0.00007 0.00000
62 9PY 0.00000 0.00000 0.00001 -0.00008 0.00000
63 9PZ -0.00015 -0.00001 0.00000 0.00000 -0.00004
64 10D 0 0.00000 0.00000 0.00000 -0.00008 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 -0.00007 0.00000 0.00000 0.00000 -0.00002
67 10D+2 0.00000 0.00000 0.00000 -0.00013 0.00000
68 10D-2 0.00000 0.00000 -0.00008 -0.00001 0.00000
69 11D 0 0.00000 0.00000 -0.00001 -0.00016 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 -0.00021 -0.00001 0.00000 0.00000 -0.00006
72 11D+2 0.00000 0.00000 -0.00001 -0.00029 0.00000
73 11D-2 0.00000 0.00000 -0.00020 -0.00003 0.00000
74 12D 0 0.00000 0.00000 -0.00003 0.00005 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 -0.00009 0.00000 0.00000 0.00000 -0.00003
77 12D+2 0.00000 0.00000 -0.00002 0.00007 0.00000
78 12D-2 0.00000 0.00000 -0.00006 -0.00007 0.00000
79 13F 0 0.00002 0.00000 0.00000 0.00000 0.00001
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 -0.00004 0.00000
82 13F+2 0.00003 0.00000 0.00000 0.00000 0.00001
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00004 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 -0.00005 0.00000
86 14F 0 0.00001 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 -0.00001 0.00000
88 14F-1 0.00000 0.00000 -0.00001 -0.00002 0.00000
89 14F+2 0.00002 0.00000 0.00000 0.00000 0.00001
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00003 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 -0.00004 0.00000
93 3 H 1S 0.00000 0.00000 -0.00006 0.00058 0.00000
94 2S 0.00000 0.00000 -0.00030 0.00019 0.00000
95 3S 0.00000 0.00000 -0.00034 -0.00050 0.00000
96 4S 0.00000 0.00000 -0.00002 -0.00005 0.00000
97 5PX 0.00000 0.00000 0.00002 0.00002 0.00000
98 5PY 0.00000 0.00000 -0.00002 -0.00003 0.00000
99 5PZ -0.00002 0.00000 0.00000 0.00000 -0.00001
100 6PX 0.00000 0.00000 0.00001 -0.00026 0.00000
101 6PY 0.00000 0.00000 -0.00004 0.00014 0.00000
102 6PZ -0.00006 0.00000 0.00000 0.00000 -0.00002
103 7PX 0.00000 0.00000 0.00004 -0.00026 0.00000
104 7PY 0.00000 0.00000 -0.00013 0.00016 0.00000
105 7PZ 0.00003 0.00000 0.00000 0.00000 0.00001
106 8D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
107 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00001 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 -0.00001 -0.00002 0.00000
110 8D-2 0.00000 0.00000 -0.00002 0.00001 0.00000
111 9D 0 0.00000 0.00000 0.00002 0.00007 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00001 -0.00001 0.00000
115 9D-2 0.00000 0.00000 0.00001 0.00007 0.00000
41 42 43 44 45
41 14F+1 0.00001
42 14F-1 -0.00001 0.00002
43 14F+2 0.00000 0.00000 0.00002
44 14F-2 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00001 0.00002 0.00000 0.00000 0.00016
46 14F-3 0.00002 0.00000 0.00000 0.00000 0.00000
47 2 O 1S -0.00008 0.00046 0.00000 0.00000 0.00033
48 2S 0.00006 -0.00033 0.00000 0.00000 -0.00049
49 3S 0.00000 -0.00005 0.00000 0.00000 -0.00012
50 4S -0.00021 0.00040 0.00000 0.00000 0.00003
51 5S 0.00000 0.00018 0.00000 0.00000 0.00025
52 6PX -0.00021 -0.00004 0.00000 0.00000 -0.00358
53 6PY 0.00021 -0.00101 0.00000 0.00000 -0.00093
54 6PZ 0.00000 0.00000 -0.00132 0.00022 0.00000
55 7PX -0.00027 -0.00005 0.00000 0.00000 -0.00455
56 7PY 0.00025 -0.00124 0.00000 0.00000 -0.00114
57 7PZ 0.00000 0.00000 -0.00170 0.00028 0.00000
58 8PX -0.00021 -0.00005 0.00000 0.00000 -0.00349
59 8PY 0.00003 -0.00046 0.00000 0.00000 -0.00041
60 8PZ 0.00000 0.00000 -0.00117 0.00019 0.00000
61 9PX -0.00006 -0.00003 0.00000 0.00000 -0.00067
62 9PY 0.00000 0.00002 0.00000 0.00000 0.00006
63 9PZ 0.00000 0.00000 -0.00010 0.00002 0.00000
64 10D 0 -0.00001 0.00003 0.00000 0.00000 0.00003
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 -0.00005 0.00001 0.00000
67 10D+2 -0.00001 0.00005 0.00000 0.00000 0.00003
68 10D-2 0.00000 0.00001 0.00000 0.00000 -0.00002
69 11D 0 -0.00001 0.00005 0.00000 0.00000 0.00005
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 -0.00014 0.00002 0.00000
72 11D+2 -0.00002 0.00010 0.00000 0.00000 0.00006
73 11D-2 0.00000 0.00002 0.00000 0.00000 -0.00005
74 12D 0 0.00001 -0.00002 0.00000 0.00000 -0.00006
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 -0.00006 0.00001 0.00000
77 12D+2 0.00001 -0.00002 0.00000 0.00000 -0.00006
78 12D-2 0.00001 0.00003 0.00000 0.00000 0.00009
79 13F 0 0.00000 0.00000 0.00001 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00001 0.00000 0.00000 0.00001
82 13F+2 0.00000 0.00000 0.00002 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00001
85 13F-3 -0.00001 0.00002 0.00000 0.00000 0.00001
86 14F 0 0.00000 0.00000 0.00001 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00001 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00002 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00001
92 14F-3 0.00000 0.00001 0.00000 0.00000 0.00001
93 3 H 1S 0.00031 -0.00041 0.00000 0.00000 -0.00134
94 2S 0.00022 -0.00033 0.00000 0.00000 -0.00204
95 3S -0.00037 0.00018 0.00000 0.00000 -0.00103
96 4S -0.00002 0.00002 0.00000 0.00000 0.00000
97 5PX 0.00003 -0.00002 0.00000 0.00000 -0.00003
98 5PY -0.00001 0.00002 0.00000 0.00000 0.00006
99 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
100 6PX 0.00001 0.00008 0.00000 0.00000 0.00022
101 6PY 0.00002 -0.00004 0.00000 0.00000 -0.00005
102 6PZ 0.00000 0.00000 -0.00004 0.00001 0.00000
103 7PX -0.00007 0.00012 0.00000 0.00000 0.00023
104 7PY 0.00005 -0.00006 0.00000 0.00000 -0.00015
105 7PZ 0.00000 0.00000 0.00002 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000
109 8D+2 0.00000 0.00001 0.00000 0.00000 0.00001
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 -0.00003 0.00000 0.00000 -0.00003
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00001 0.00000 0.00000 0.00004
115 9D-2 0.00001 -0.00002 0.00000 0.00000 -0.00004
46 47 48 49 50
46 14F-3 0.00010
47 2 O 1S 0.00039 1.00041
48 2S 0.00017 -0.12403 0.28228
49 3S 0.00008 0.01088 0.07771 0.02357
50 4S 0.00059 -0.07452 0.19168 0.05425 0.15883
51 5S 0.00042 -0.00431 0.00987 0.00302 0.01584
52 6PX 0.00043 -0.00092 0.00299 0.00100 0.00090
53 6PY -0.00161 0.01199 -0.03089 -0.01034 -0.07183
54 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
55 7PX 0.00053 -0.00117 0.00367 0.00123 0.00101
56 7PY -0.00198 0.00906 -0.03444 -0.01191 -0.08543
57 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
58 8PX 0.00041 -0.00020 0.00203 0.00078 0.00120
59 8PY -0.00111 0.01419 -0.03745 -0.01131 -0.05159
60 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
61 9PX -0.00001 -0.00024 0.00098 0.00033 0.00085
62 9PY 0.00002 0.00164 -0.00417 -0.00114 -0.00213
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
64 10D 0 0.00003 0.00017 -0.00070 -0.00016 0.00072
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00006 0.00032 -0.00092 -0.00018 0.00153
68 10D-2 0.00001 0.00005 -0.00017 -0.00005 -0.00018
69 11D 0 0.00007 0.00125 -0.00221 -0.00051 0.00093
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00014 0.00221 -0.00348 -0.00076 0.00226
73 11D-2 0.00003 0.00008 -0.00030 -0.00009 -0.00045
74 12D 0 0.00001 -0.00099 0.00216 0.00058 0.00099
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00001 -0.00189 0.00430 0.00117 0.00237
78 12D-2 0.00004 0.00055 -0.00098 -0.00025 -0.00018
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00001 0.00000 0.00002
81 13F-1 0.00001 0.00033 -0.00066 -0.00016 0.00007
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 -0.00001 0.00006 0.00002 0.00011
85 13F-3 0.00002 0.00036 -0.00076 -0.00018 0.00032
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 -0.00001 0.00005 -0.00008 -0.00002 0.00001
88 14F-1 0.00002 0.00012 -0.00014 -0.00002 0.00025
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 -0.00001 0.00004 -0.00010 -0.00002 0.00001
92 14F-3 0.00003 0.00032 -0.00044 -0.00009 0.00034
93 3 H 1S 0.00134 0.00170 -0.00418 -0.00114 -0.00277
94 2S 0.00165 0.00834 -0.01740 -0.00440 -0.00339
95 3S -0.00056 0.00390 -0.00701 -0.00145 0.00476
96 4S -0.00003 0.00044 -0.00113 -0.00029 -0.00023
97 5PX 0.00013 0.00045 -0.00100 -0.00027 -0.00045
98 5PY -0.00006 -0.00016 0.00032 0.00009 0.00026
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00016 0.00362 -0.00781 -0.00205 -0.00229
101 6PY -0.00002 -0.00232 0.00449 0.00115 0.00112
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX -0.00018 0.00143 -0.00255 -0.00059 0.00090
104 7PY 0.00011 -0.00151 0.00343 0.00088 0.00037
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 -0.00002 -0.00020 0.00049 0.00013 0.00023
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00003 0.00024 -0.00053 -0.00014 -0.00011
110 8D-2 -0.00003 -0.00038 0.00079 0.00021 0.00023
111 9D 0 -0.00002 -0.00062 0.00109 0.00027 -0.00011
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00027 -0.00069 -0.00020 -0.00049
115 9D-2 -0.00001 -0.00092 0.00220 0.00059 0.00087
51 52 53 54 55
51 5S 0.00446
52 6PX 0.00057 0.13087
53 6PY -0.02031 0.00197 0.10165
54 6PZ 0.00000 0.00000 0.00000 0.08436
55 7PX 0.00070 0.16646 0.00263 0.00000 0.21174
56 7PY -0.02472 0.00227 0.12379 0.00000 0.00304
57 7PZ 0.00000 0.00000 0.00000 0.10904 0.00000
58 8PX 0.00029 0.12173 0.00129 0.00000 0.15483
59 8PY -0.01210 -0.00260 0.05705 0.00000 -0.00321
60 8PZ 0.00000 0.00000 0.00000 0.07481 0.00000
61 9PX -0.00056 0.01745 0.00125 0.00000 0.02220
62 9PY 0.00018 -0.00062 -0.00102 0.00000 -0.00079
63 9PZ 0.00000 0.00000 0.00000 0.00616 0.00000
64 10D 0 0.00042 -0.00011 -0.00221 0.00000 -0.00014
65 10D+1 0.00000 0.00000 0.00000 -0.00001 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00315 0.00000
67 10D+2 0.00074 -0.00003 -0.00395 0.00000 -0.00005
68 10D-2 0.00014 0.00256 -0.00014 0.00000 0.00326
69 11D 0 0.00084 0.00006 -0.00446 0.00000 0.00007
70 11D+1 0.00000 0.00000 0.00000 -0.00019 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00898 0.00000
72 11D+2 0.00155 0.00025 -0.00839 0.00000 0.00031
73 11D-2 0.00037 0.00665 -0.00032 0.00000 0.00847
74 12D 0 -0.00007 0.00145 0.00058 0.00000 0.00184
75 12D+1 0.00000 0.00000 0.00000 -0.00005 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00369 0.00000
77 12D+2 -0.00003 0.00124 0.00047 0.00000 0.00157
78 12D-2 0.00053 0.00144 -0.00158 0.00000 0.00184
79 13F 0 0.00000 0.00000 0.00000 -0.00086 0.00000
80 13F+1 -0.00001 -0.00012 0.00000 0.00000 -0.00015
81 13F-1 0.00017 -0.00007 -0.00091 0.00000 -0.00009
82 13F+2 0.00000 0.00000 0.00000 -0.00145 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00001 0.00000
84 13F+3 -0.00006 -0.00151 0.00001 0.00000 -0.00192
85 13F-3 0.00027 0.00007 -0.00148 0.00000 0.00009
86 14F 0 0.00000 0.00000 0.00000 -0.00048 0.00000
87 14F+1 0.00000 -0.00003 -0.00006 0.00000 -0.00004
88 14F-1 0.00015 0.00029 -0.00072 0.00000 0.00036
89 14F+2 0.00000 0.00000 0.00000 -0.00101 0.00000
90 14F-2 0.00000 0.00000 0.00000 -0.00005 0.00000
91 14F+3 -0.00006 -0.00091 0.00005 0.00000 -0.00116
92 14F-3 0.00025 0.00008 -0.00126 0.00000 0.00011
93 3 H 1S 0.00084 0.01604 -0.00513 0.00000 0.02026
94 2S 0.00213 0.02844 -0.01706 0.00000 0.03600
95 3S -0.00138 0.01353 -0.00590 0.00000 0.01721
96 4S 0.00003 0.00042 -0.00053 0.00000 0.00054
97 5PX 0.00030 0.00012 -0.00115 0.00000 0.00015
98 5PY 0.00004 0.00018 0.00003 0.00000 0.00023
99 5PZ 0.00000 0.00000 0.00000 0.00076 0.00000
100 6PX 0.00139 -0.00118 -0.00615 0.00000 -0.00151
101 6PY -0.00038 0.00157 0.00278 0.00000 0.00200
102 6PZ 0.00000 0.00000 0.00000 0.00262 0.00000
103 7PX 0.00045 -0.00360 -0.00326 0.00000 -0.00456
104 7PY -0.00006 0.00562 0.00197 0.00000 0.00714
105 7PZ 0.00000 0.00000 0.00000 -0.00140 0.00000
106 8D 0 -0.00004 0.00019 0.00021 0.00000 0.00025
107 8D+1 0.00000 0.00000 0.00000 0.00027 0.00000
108 8D-1 0.00000 0.00000 0.00000 -0.00033 0.00000
109 8D+2 0.00017 0.00040 -0.00064 0.00000 0.00050
110 8D-2 -0.00009 0.00047 0.00057 0.00000 0.00060
111 9D 0 -0.00036 -0.00056 0.00164 0.00000 -0.00071
112 9D+1 0.00000 0.00000 0.00000 -0.00008 0.00000
113 9D-1 0.00000 0.00000 0.00000 -0.00023 0.00000
114 9D+2 0.00005 -0.00051 -0.00005 0.00000 -0.00065
115 9D-2 -0.00022 -0.00005 0.00103 0.00000 -0.00007
56 57 58 59 60
56 7PY 0.15081
57 7PZ 0.00000 0.14093
58 8PX 0.00145 0.00000 0.11380
59 8PY 0.06931 0.00000 -0.00249 0.03433
60 8PZ 0.00000 0.09669 0.00000 0.00000 0.06634
61 9PX 0.00154 0.00000 0.01686 0.00048 0.00000
62 9PY -0.00129 0.00000 -0.00063 -0.00023 0.00000
63 9PZ 0.00000 0.00796 0.00000 0.00000 0.00546
64 10D 0 -0.00270 0.00000 -0.00008 -0.00113 0.00000
65 10D+1 0.00000 -0.00001 0.00000 0.00000 -0.00001
66 10D-1 0.00000 0.00408 0.00000 0.00000 0.00280
67 10D+2 -0.00483 0.00000 0.00001 -0.00203 0.00000
68 10D-2 -0.00018 0.00000 0.00223 -0.00017 0.00000
69 11D 0 -0.00547 0.00000 0.00009 -0.00224 0.00000
70 11D+1 0.00000 -0.00025 0.00000 0.00000 -0.00017
71 11D-1 0.00000 0.01161 0.00000 0.00000 0.00797
72 11D+2 -0.01029 0.00000 0.00036 -0.00425 0.00000
73 11D-2 -0.00041 0.00000 0.00575 -0.00045 0.00000
74 12D 0 0.00073 0.00000 0.00138 0.00007 0.00000
75 12D+1 0.00000 -0.00007 0.00000 0.00000 -0.00005
76 12D-1 0.00000 0.00477 0.00000 0.00000 0.00327
77 12D+2 0.00062 0.00000 0.00118 -0.00015 0.00000
78 12D-2 -0.00196 0.00000 0.00099 -0.00095 0.00000
79 13F 0 0.00000 -0.00111 0.00000 0.00000 -0.00076
80 13F+1 0.00000 0.00000 -0.00009 0.00000 0.00000
81 13F-1 -0.00111 0.00000 -0.00006 -0.00043 0.00000
82 13F+2 0.00000 -0.00187 0.00000 0.00000 -0.00128
83 13F-2 0.00000 0.00001 0.00000 0.00000 0.00001
84 13F+3 0.00001 0.00000 -0.00131 0.00006 0.00000
85 13F-3 -0.00181 0.00000 0.00009 -0.00073 0.00000
86 14F 0 0.00000 -0.00063 0.00000 0.00000 -0.00043
87 14F+1 -0.00007 0.00000 -0.00003 -0.00001 0.00000
88 14F-1 -0.00089 0.00000 0.00028 -0.00041 0.00000
89 14F+2 0.00000 -0.00130 0.00000 0.00000 -0.00089
90 14F-2 0.00000 -0.00006 0.00000 0.00000 -0.00004
91 14F+3 0.00007 0.00000 -0.00079 0.00010 0.00000
92 14F-3 -0.00154 0.00000 0.00010 -0.00067 0.00000
93 3 H 1S -0.00657 0.00000 0.01807 -0.00569 0.00000
94 2S -0.02129 0.00000 0.03143 -0.01114 0.00000
95 3S -0.00706 0.00000 0.01521 -0.00003 0.00000
96 4S -0.00065 0.00000 0.00040 -0.00008 0.00000
97 5PX -0.00144 0.00000 0.00023 -0.00085 0.00000
98 5PY 0.00004 0.00000 -0.00004 0.00010 0.00000
99 5PZ 0.00000 0.00098 0.00000 0.00000 0.00067
100 6PX -0.00763 0.00000 -0.00141 -0.00298 0.00000
101 6PY 0.00344 0.00000 0.00133 0.00102 0.00000
102 6PZ 0.00000 0.00339 0.00000 0.00000 0.00233
103 7PX -0.00395 0.00000 -0.00362 -0.00087 0.00000
104 7PY 0.00240 0.00000 0.00510 0.00022 0.00000
105 7PZ 0.00000 -0.00181 0.00000 0.00000 -0.00124
106 8D 0 0.00027 0.00000 0.00016 0.00010 0.00000
107 8D+1 0.00000 0.00035 0.00000 0.00000 0.00024
108 8D-1 0.00000 -0.00042 0.00000 0.00000 -0.00029
109 8D+2 -0.00079 0.00000 0.00033 -0.00038 0.00000
110 8D-2 0.00071 0.00000 0.00037 0.00028 0.00000
111 9D 0 0.00201 0.00000 -0.00045 0.00083 0.00000
112 9D+1 0.00000 -0.00010 0.00000 0.00000 -0.00007
113 9D-1 0.00000 -0.00030 0.00000 0.00000 -0.00020
114 9D+2 -0.00007 0.00000 -0.00056 0.00002 0.00000
115 9D-2 0.00128 0.00000 0.00004 0.00038 0.00000
61 62 63 64 65
61 9PX 0.00310
62 9PY -0.00018 0.00010
63 9PZ 0.00000 0.00000 0.00045
64 10D 0 -0.00004 0.00004 0.00000 0.00006
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00023 0.00000 0.00000
67 10D+2 -0.00002 0.00007 0.00000 0.00010 0.00000
68 10D-2 0.00016 0.00001 0.00000 0.00000 0.00000
69 11D 0 -0.00005 0.00010 0.00000 0.00011 0.00000
70 11D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00066 0.00000 0.00000
72 11D+2 0.00000 0.00017 0.00000 0.00021 0.00000
73 11D-2 0.00038 0.00004 0.00000 0.00001 0.00000
74 12D 0 0.00024 -0.00006 0.00000 -0.00003 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00027 0.00000 0.00000
77 12D+2 0.00023 -0.00009 0.00000 -0.00003 0.00000
78 12D-2 -0.00024 0.00008 0.00000 0.00004 0.00000
79 13F 0 0.00000 0.00000 -0.00006 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 -0.00002 0.00003 0.00000 0.00002 0.00000
82 13F+2 0.00000 0.00000 -0.00011 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 -0.00010 -0.00001 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00003 0.00000 0.00004 0.00000
86 14F 0 0.00000 0.00000 -0.00004 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00003 0.00001 0.00000 0.00002 0.00000
89 14F+2 0.00000 0.00000 -0.00007 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 -0.00005 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00002 0.00000 0.00003 0.00000
93 3 H 1S 0.00475 -0.00037 0.00000 0.00007 0.00000
94 2S 0.00812 -0.00024 0.00000 0.00041 0.00000
95 3S 0.00514 -0.00014 0.00000 0.00020 0.00000
96 4S 0.00008 0.00003 0.00000 0.00002 0.00000
97 5PX 0.00004 0.00002 0.00000 0.00003 0.00000
98 5PY -0.00016 0.00002 0.00000 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00006 0.00000 0.00000
100 6PX -0.00071 0.00027 0.00000 0.00018 0.00000
101 6PY 0.00012 -0.00011 0.00000 -0.00009 0.00000
102 6PZ 0.00000 0.00000 0.00019 0.00000 0.00000
103 7PX -0.00070 0.00015 0.00000 0.00010 0.00000
104 7PY 0.00057 -0.00010 0.00000 -0.00007 0.00000
105 7PZ 0.00000 0.00000 -0.00010 0.00000 0.00000
106 8D 0 0.00001 -0.00001 0.00000 -0.00001 0.00000
107 8D+1 0.00000 0.00000 0.00002 0.00000 0.00000
108 8D-1 0.00000 0.00000 -0.00002 0.00000 0.00000
109 8D+2 -0.00001 0.00002 0.00000 0.00002 0.00000
110 8D-2 0.00001 -0.00001 0.00000 -0.00002 0.00000
111 9D 0 0.00004 -0.00005 0.00000 -0.00004 0.00000
112 9D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
113 9D-1 0.00000 0.00000 -0.00002 0.00000 0.00000
114 9D+2 -0.00017 0.00002 0.00000 0.00000 0.00000
115 9D-2 0.00012 -0.00006 0.00000 -0.00004 0.00000
66 67 68 69 70
66 10D-1 0.00012
67 10D+2 0.00000 0.00017
68 10D-2 0.00000 0.00000 0.00010
69 11D 0 0.00000 0.00020 0.00001 0.00024
70 11D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00034 0.00000 0.00000 0.00000 -0.00002
72 11D+2 0.00000 0.00038 0.00001 0.00045 0.00000
73 11D-2 0.00000 0.00000 0.00026 0.00003 0.00000
74 12D 0 0.00000 -0.00004 0.00001 -0.00005 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00014 0.00000 0.00000 0.00000 -0.00001
77 12D+2 0.00000 -0.00005 0.00000 -0.00008 0.00000
78 12D-2 0.00000 0.00006 0.00014 0.00009 0.00000
79 13F 0 -0.00003 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
81 13F-1 0.00000 0.00004 0.00000 0.00005 0.00000
82 13F+2 -0.00005 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 -0.00006 0.00000 0.00000
85 13F-3 0.00000 0.00007 0.00000 0.00008 0.00000
86 14F 0 -0.00002 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00003 0.00001 0.00004 0.00000
89 14F+2 -0.00004 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 -0.00004 0.00000 0.00000
92 14F-3 0.00000 0.00005 0.00000 0.00007 0.00000
93 3 H 1S 0.00000 0.00023 -0.00059 0.00029 0.00000
94 2S 0.00000 0.00088 -0.00079 0.00104 0.00000
95 3S 0.00000 0.00047 -0.00042 0.00038 0.00000
96 4S 0.00000 0.00004 0.00001 0.00004 0.00000
97 5PX 0.00000 0.00005 -0.00003 0.00007 0.00000
98 5PY 0.00000 0.00000 0.00006 0.00000 0.00000
99 5PZ 0.00003 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00030 0.00010 0.00040 0.00000
101 6PY 0.00000 -0.00015 0.00005 -0.00019 0.00000
102 6PZ 0.00010 0.00000 0.00000 0.00000 -0.00001
103 7PX 0.00000 0.00017 0.00003 0.00019 0.00000
104 7PY 0.00000 -0.00012 0.00013 -0.00013 0.00000
105 7PZ -0.00005 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 -0.00001 0.00001 -0.00002 0.00000
107 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000
108 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00003 0.00002 0.00004 0.00000
110 8D-2 0.00000 -0.00003 0.00003 -0.00004 0.00000
111 9D 0 0.00000 -0.00007 -0.00004 -0.00009 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00001 0.00001 0.00000
115 9D-2 0.00000 -0.00006 -0.00003 -0.00008 0.00000
71 72 73 74 75
71 11D-1 0.00096
72 11D+2 0.00000 0.00083
73 11D-2 0.00000 0.00001 0.00069
74 12D 0 0.00000 -0.00009 0.00004 0.00005
75 12D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00039 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00000 -0.00013 0.00001 0.00006 0.00000
78 12D-2 0.00000 0.00013 0.00037 -0.00003 0.00000
79 13F 0 -0.00009 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 -0.00002 0.00000 0.00000
81 13F-1 0.00000 0.00010 0.00000 -0.00001 0.00000
82 13F+2 -0.00015 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 -0.00015 -0.00001 0.00000
85 13F-3 0.00000 0.00015 0.00000 -0.00002 0.00000
86 14F 0 -0.00005 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00001 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00007 0.00001 0.00000 0.00000
89 14F+2 -0.00011 0.00000 0.00000 0.00000 0.00000
90 14F-2 -0.00001 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 -0.00010 -0.00001 0.00000
92 14F-3 0.00000 0.00012 0.00000 -0.00001 0.00000
93 3 H 1S 0.00000 0.00086 -0.00161 0.00061 0.00000
94 2S 0.00000 0.00244 -0.00223 0.00066 0.00000
95 3S 0.00000 0.00104 -0.00129 0.00003 0.00000
96 4S 0.00000 0.00008 0.00002 -0.00002 0.00000
97 5PX 0.00000 0.00013 -0.00007 0.00002 0.00000
98 5PY 0.00000 -0.00003 0.00017 -0.00002 0.00000
99 5PZ 0.00008 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00068 0.00028 -0.00014 0.00000
101 6PY 0.00000 -0.00035 0.00013 0.00008 0.00000
102 6PZ 0.00028 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00000 0.00032 0.00007 -0.00016 0.00000
104 7PY 0.00000 -0.00025 0.00035 0.00013 0.00000
105 7PZ -0.00015 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 -0.00003 0.00002 0.00000 0.00000
107 8D+1 0.00003 0.00000 0.00000 0.00000 0.00000
108 8D-1 -0.00003 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00006 0.00006 0.00000 0.00000
110 8D-2 0.00000 -0.00007 0.00007 0.00001 0.00000
111 9D 0 0.00000 -0.00016 -0.00011 0.00002 0.00000
112 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
113 9D-1 -0.00002 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00001 0.00004 -0.00002 0.00000
115 9D-2 0.00000 -0.00013 -0.00009 0.00004 0.00000
76 77 78 79 80
76 12D-1 0.00016
77 12D+2 0.00000 0.00010
78 12D-2 0.00000 -0.00005 0.00029
79 13F 0 -0.00004 0.00000 0.00000 0.00001
80 13F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
81 13F-1 0.00000 -0.00002 0.00002 0.00000 0.00000
82 13F+2 -0.00006 0.00000 0.00000 0.00001 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 -0.00008 0.00000 0.00000
85 13F-3 0.00000 -0.00003 0.00002 0.00000 0.00000
86 14F 0 -0.00002 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00001 0.00000 0.00000
89 14F+2 -0.00004 0.00000 0.00000 0.00001 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 -0.00001 -0.00005 0.00000 0.00000
92 14F-3 0.00000 -0.00001 0.00002 0.00000 0.00000
93 3 H 1S 0.00000 0.00068 -0.00162 0.00000 0.00012
94 2S 0.00000 0.00063 -0.00230 0.00000 0.00017
95 3S 0.00000 -0.00004 -0.00144 0.00000 0.00006
96 4S 0.00000 -0.00003 0.00001 0.00000 0.00000
97 5PX 0.00000 0.00002 -0.00003 0.00000 0.00001
98 5PY 0.00000 -0.00003 0.00013 0.00000 -0.00001
99 5PZ 0.00003 0.00000 0.00000 -0.00001 0.00000
100 6PX 0.00000 -0.00021 0.00038 0.00000 -0.00001
101 6PY 0.00000 0.00011 0.00001 0.00000 0.00000
102 6PZ 0.00011 0.00000 0.00000 -0.00003 0.00000
103 7PX 0.00000 -0.00020 0.00020 0.00000 -0.00001
104 7PY 0.00000 0.00016 0.00009 0.00000 -0.00001
105 7PZ -0.00006 0.00000 0.00000 0.00001 0.00000
106 8D 0 0.00000 0.00001 0.00001 0.00000 0.00000
107 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000
108 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 -0.00001 0.00005 0.00000 0.00000
110 8D-2 0.00000 0.00001 0.00003 0.00000 0.00000
111 9D 0 0.00000 0.00004 -0.00010 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 -0.00002 0.00005 0.00000 0.00000
115 9D-2 0.00000 0.00006 -0.00010 0.00000 0.00000
81 82 83 84 85
81 13F-1 0.00001
82 13F+2 0.00000 0.00002
83 13F-2 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00003
85 13F-3 0.00002 0.00000 0.00000 0.00000 0.00003
86 14F 0 0.00000 0.00001 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00001 0.00000 0.00000 0.00000 0.00001
89 14F+2 0.00000 0.00002 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00002 0.00000
92 14F-3 0.00001 0.00000 0.00000 0.00000 0.00002
93 3 H 1S 0.00000 0.00000 0.00000 0.00035 0.00012
94 2S 0.00015 0.00000 0.00000 0.00048 0.00041
95 3S 0.00009 0.00000 0.00000 0.00024 0.00021
96 4S 0.00001 0.00000 0.00000 -0.00001 0.00002
97 5PX 0.00001 0.00000 0.00000 0.00002 0.00002
98 5PY 0.00000 0.00000 0.00000 -0.00004 0.00000
99 5PZ 0.00000 -0.00001 0.00000 0.00000 0.00000
100 6PX 0.00009 0.00000 0.00000 -0.00005 0.00012
101 6PY -0.00004 0.00000 0.00000 -0.00003 -0.00007
102 6PZ 0.00000 -0.00005 0.00000 0.00000 0.00000
103 7PX 0.00005 0.00000 0.00000 -0.00002 0.00006
104 7PY -0.00004 0.00000 0.00000 -0.00008 -0.00005
105 7PZ 0.00000 0.00002 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 -0.00001 -0.00001
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00001 0.00000 0.00000 0.00000
109 8D+2 0.00001 0.00000 0.00000 -0.00001 0.00001
110 8D-2 -0.00001 0.00000 0.00000 -0.00002 -0.00001
111 9D 0 -0.00002 0.00000 0.00000 0.00002 -0.00003
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
115 9D-2 -0.00002 0.00000 0.00000 0.00002 -0.00002
86 87 88 89 90
86 14F 0 0.00000
87 14F+1 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00001
89 14F+2 0.00001 0.00000 0.00000 0.00001
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00001 0.00000 0.00000
93 3 H 1S 0.00000 -0.00011 0.00026 0.00000 0.00000
94 2S 0.00000 -0.00010 0.00042 0.00000 0.00000
95 3S 0.00000 0.00006 0.00002 0.00000 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 -0.00001 0.00002 0.00000 0.00000
98 5PY 0.00000 0.00000 -0.00001 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
100 6PX 0.00000 0.00000 0.00006 0.00000 0.00000
101 6PY 0.00000 -0.00001 -0.00002 0.00000 0.00000
102 6PZ -0.00002 0.00000 0.00000 -0.00003 0.00000
103 7PX 0.00000 0.00002 -0.00001 0.00000 0.00000
104 7PY 0.00000 -0.00002 0.00001 0.00000 0.00000
105 7PZ 0.00001 0.00000 0.00000 0.00002 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00001 0.00000 0.00000
110 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
111 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
91 92 93 94 95
91 14F+3 0.00001
92 14F-3 0.00000 0.00002
93 3 H 1S 0.00012 0.00028 0.03975
94 2S 0.00021 0.00052 0.05259 0.07431
95 3S 0.00026 0.00006 0.00454 0.01444 0.02113
96 4S 0.00000 0.00001 -0.00054 -0.00036 0.00055
97 5PX 0.00000 0.00003 0.00250 0.00313 -0.00046
98 5PY -0.00002 -0.00001 -0.00202 -0.00268 -0.00037
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX -0.00004 0.00010 -0.00080 -0.00067 -0.00165
101 6PY -0.00002 -0.00005 -0.00015 -0.00094 -0.00090
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00001 0.00002 -0.00551 -0.00629 0.00080
104 7PY -0.00006 -0.00002 0.00208 0.00191 -0.00147
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 -0.00001 -0.00032 -0.00043 0.00001
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 -0.00001 0.00001 0.00013 0.00018 -0.00024
110 8D-2 -0.00001 -0.00001 -0.00065 -0.00093 -0.00012
111 9D 0 0.00001 -0.00002 0.00041 0.00033 0.00014
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 -0.00001 0.00000 -0.00054 -0.00079 -0.00041
115 9D-2 0.00001 -0.00002 0.00068 0.00072 0.00018
96 97 98 99 100
96 4S 0.00003
97 5PX -0.00005 0.00020
98 5PY 0.00003 -0.00012 0.00011
99 5PZ 0.00000 0.00000 0.00000 0.00001
100 6PX 0.00004 0.00012 0.00008 0.00000 0.00101
101 6PY -0.00005 -0.00003 0.00002 0.00000 -0.00028
102 6PZ 0.00000 0.00000 0.00000 0.00002 0.00000
103 7PX 0.00014 -0.00034 0.00026 0.00000 0.00038
104 7PY -0.00009 0.00014 -0.00005 0.00000 -0.00014
105 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
106 8D 0 0.00000 -0.00003 0.00002 0.00000 -0.00003
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00003 0.00000 0.00000 0.00010
110 8D-2 0.00000 -0.00005 0.00004 0.00000 -0.00004
111 9D 0 -0.00002 0.00000 -0.00004 0.00000 -0.00021
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 -0.00001 0.00003 0.00000 0.00009
115 9D-2 -0.00002 0.00002 -0.00004 0.00000 -0.00021
101 102 103 104 105
101 6PY 0.00022
102 6PZ 0.00000 0.00008
103 7PX -0.00023 0.00000 0.00108
104 7PY 0.00026 0.00000 -0.00061 0.00059
105 7PZ 0.00000 -0.00004 0.00000 0.00000 0.00002
106 8D 0 0.00002 0.00000 0.00003 0.00000 0.00000
107 8D+1 0.00000 0.00001 0.00000 0.00000 0.00000
108 8D-1 0.00000 -0.00001 0.00000 0.00000 0.00001
109 8D+2 -0.00001 0.00000 -0.00001 0.00003 0.00000
110 8D-2 0.00004 0.00000 0.00005 0.00002 0.00000
111 9D 0 0.00006 0.00000 -0.00012 0.00002 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 -0.00001 0.00000 0.00000 0.00000
114 9D+2 -0.00001 0.00000 0.00007 -0.00002 0.00000
115 9D-2 0.00006 0.00000 -0.00016 0.00006 0.00000
106 107 108 109 110
106 8D 0 0.00000
107 8D+1 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00001
110 8D-2 0.00001 0.00000 0.00000 0.00000 0.00002
111 9D 0 0.00000 0.00000 0.00000 -0.00002 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00001 0.00001
115 9D-2 0.00000 0.00000 0.00000 -0.00002 0.00000
111 112 113 114 115
111 9D 0 0.00005
112 9D+1 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000
114 9D+2 -0.00002 0.00000 0.00000 0.00002
115 9D-2 0.00005 0.00000 0.00000 -0.00002 0.00006
Beta Density Matrix:
1 2 3 4 5
1 1 C 1S 0.99127
2 2S -0.08914 0.20549
3 3S 0.02162 0.04708 0.01266
4 4S -0.04201 0.14137 0.03305 0.11616
5 5S -0.00086 0.00883 0.00213 0.00657 0.00045
6 6PX 0.00571 -0.01616 -0.00340 -0.01159 -0.00172
7 6PY 0.00167 -0.00167 -0.00083 0.03042 0.00110
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
9 7PX 0.01195 -0.03143 -0.00683 -0.02040 -0.00261
10 7PY -0.00369 0.01018 0.00177 0.04088 0.00181
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00594 -0.02563 -0.00591 -0.02250 -0.00157
13 8PY -0.00931 0.02947 0.00669 0.03157 0.00171
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00007 -0.00116 -0.00029 -0.00126 -0.00003
16 9PY -0.00041 0.00139 0.00032 0.00102 0.00007
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00156 -0.00545 -0.00129 -0.00274 -0.00023
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
21 10D+2 0.00100 -0.00361 -0.00089 0.00054 -0.00005
22 10D-2 0.00180 -0.00549 -0.00129 -0.00609 -0.00021
23 11D 0 0.00377 -0.00990 -0.00228 -0.00629 -0.00045
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
26 11D+2 -0.00012 0.00083 0.00016 0.00294 0.00014
27 11D-2 0.00671 -0.01625 -0.00371 -0.01467 -0.00072
28 12D 0 0.00017 -0.00138 -0.00032 -0.00199 -0.00010
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
31 12D+2 -0.00099 0.00351 0.00083 0.00261 0.00012
32 12D-2 0.00207 -0.00642 -0.00145 -0.00607 -0.00040
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 -0.00026 0.00098 0.00023 0.00057 0.00005
35 13F-1 -0.00017 0.00076 0.00019 0.00001 0.00001
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00008 -0.00004 -0.00002 -0.00049 0.00004
39 13F-3 -0.00105 0.00406 0.00097 0.00197 0.00016
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 -0.00047 0.00130 0.00030 0.00096 0.00006
42 14F-1 0.00054 -0.00174 -0.00041 -0.00098 -0.00007
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00080 -0.00152 -0.00035 -0.00129 -0.00005
46 14F-3 -0.00113 0.00213 0.00046 0.00254 0.00014
47 2 O 1S 0.00638 -0.01022 -0.00193 0.00059 -0.00052
48 2S -0.01282 0.01967 0.00318 -0.00558 0.00199
49 3S -0.00259 0.00333 0.00038 -0.00250 0.00050
50 4S 0.01068 -0.04046 -0.01070 -0.02643 -0.00025
51 5S 0.00154 -0.00909 -0.00237 0.00014 -0.00009
52 6PX -0.00879 0.02445 0.00602 0.03622 -0.00012
53 6PY -0.02859 0.07145 0.01733 0.01888 0.00146
54 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
55 7PX -0.01101 0.03093 0.00763 0.04589 -0.00016
56 7PY -0.03555 0.08665 0.02098 0.02225 0.00176
57 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
58 8PX -0.00688 0.02227 0.00551 0.03375 -0.00004
59 8PY -0.01280 0.02651 0.00658 0.00126 0.00015
60 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
61 9PX -0.00064 0.00187 0.00046 0.00326 -0.00002
62 9PY 0.00016 -0.00163 -0.00039 -0.00049 -0.00007
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
64 10D 0 0.00077 -0.00193 -0.00046 -0.00056 -0.00005
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00135 -0.00343 -0.00082 -0.00100 -0.00009
68 10D-2 -0.00008 0.00019 0.00006 0.00055 -0.00004
69 11D 0 0.00191 -0.00368 -0.00085 -0.00080 -0.00010
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00354 -0.00694 -0.00162 -0.00158 -0.00018
73 11D-2 -0.00010 0.00077 0.00022 0.00161 -0.00008
74 12D 0 -0.00032 0.00182 0.00043 0.00119 0.00008
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 -0.00033 0.00220 0.00052 0.00127 0.00011
78 12D-2 0.00086 -0.00086 -0.00016 0.00024 -0.00008
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 -0.00003 0.00006 0.00001 0.00004 0.00001
81 13F-1 0.00029 -0.00091 -0.00022 -0.00029 -0.00003
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00007 -0.00014 -0.00004 -0.00031 0.00002
85 13F-3 0.00044 -0.00133 -0.00032 -0.00035 -0.00004
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00011 -0.00035 -0.00008 -0.00026 -0.00002
88 14F-1 0.00037 -0.00011 -0.00002 0.00029 0.00001
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00003 -0.00042 -0.00011 -0.00048 -0.00001
92 14F-3 0.00071 -0.00061 -0.00013 0.00013 0.00000
93 3 H 1S -0.01990 0.05263 0.01186 0.04972 0.00310
94 2S -0.01779 0.04642 0.01030 0.05340 0.00313
95 3S 0.00474 -0.03486 -0.00844 -0.02378 -0.00148
96 4S 0.00026 -0.00230 -0.00055 -0.00151 -0.00011
97 5PX -0.00166 0.00388 0.00086 0.00394 0.00024
98 5PY 0.00107 -0.00241 -0.00053 -0.00209 -0.00015
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00134 -0.00367 -0.00087 0.00044 -0.00011
101 6PY -0.00161 0.00422 0.00099 0.00192 0.00013
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00321 -0.01334 -0.00314 -0.00999 -0.00063
104 7PY -0.00201 0.00878 0.00209 0.00680 0.00035
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00024 -0.00027 -0.00005 -0.00036 -0.00002
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 -0.00017 0.00022 0.00004 0.00058 0.00001
110 8D-2 0.00034 -0.00022 -0.00003 -0.00048 -0.00004
111 9D 0 -0.00059 0.00156 0.00036 0.00038 0.00007
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00016 -0.00028 -0.00006 -0.00021 -0.00002
115 9D-2 -0.00075 0.00172 0.00039 0.00071 0.00008
6 7 8 9 10
6 6PX 0.02898
7 6PY -0.01193 0.05841
8 6PZ 0.00000 0.00000 0.02743
9 7PX 0.03678 -0.01166 0.00000 0.04753
10 7PY -0.01492 0.06313 0.00000 -0.01599 0.06944
11 7PZ 0.00000 0.00000 0.03565 0.00000 0.00000
12 8PX 0.01034 -0.01130 0.00000 0.01387 -0.01421
13 8PY -0.00461 0.01979 0.00000 -0.00651 0.02362
14 8PZ 0.00000 0.00000 0.01589 0.00000 0.00000
15 9PX -0.00078 -0.00041 0.00000 -0.00094 -0.00050
16 9PY -0.00016 0.00011 0.00000 -0.00029 0.00024
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00052 0.00173 0.00000 0.00107 0.00147
19 10D+1 0.00000 0.00000 -0.00022 0.00000 0.00000
20 10D-1 0.00000 0.00000 -0.00396 0.00000 0.00000
21 10D+2 -0.00122 0.00577 0.00000 -0.00098 0.00596
22 10D-2 -0.00188 -0.00292 0.00000 -0.00224 -0.00338
23 11D 0 0.00147 0.00070 0.00000 0.00245 0.00008
24 11D+1 0.00000 0.00000 -0.00043 0.00000 0.00000
25 11D-1 0.00000 0.00000 -0.00608 0.00000 0.00000
26 11D+2 -0.00147 0.00456 0.00000 -0.00163 0.00497
27 11D-2 -0.00087 -0.00491 0.00000 -0.00046 -0.00625
28 12D 0 0.00082 -0.00203 0.00000 0.00098 -0.00225
29 12D+1 0.00000 0.00000 -0.00069 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00021 0.00000 0.00000
31 12D+2 0.00130 -0.00034 0.00000 0.00138 -0.00011
32 12D-2 0.00247 -0.00352 0.00000 0.00329 -0.00429
33 13F 0 0.00000 0.00000 -0.00078 0.00000 0.00000
34 13F+1 -0.00038 -0.00006 0.00000 -0.00054 0.00001
35 13F-1 0.00022 -0.00100 0.00000 0.00019 -0.00105
36 13F+2 0.00000 0.00000 -0.00114 0.00000 0.00000
37 13F-2 0.00000 0.00000 -0.00006 0.00000 0.00000
38 13F+3 -0.00134 -0.00023 0.00000 -0.00170 -0.00019
39 13F-3 -0.00017 -0.00152 0.00000 -0.00053 -0.00138
40 14F 0 0.00000 0.00000 -0.00034 0.00000 0.00000
41 14F+1 -0.00022 0.00015 0.00000 -0.00034 0.00025
42 14F-1 0.00019 0.00036 0.00000 0.00035 0.00029
43 14F+2 0.00000 0.00000 -0.00075 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00012 0.00000 0.00000
45 14F+3 -0.00057 -0.00012 0.00000 -0.00064 -0.00019
46 14F-3 -0.00059 0.00198 0.00000 -0.00076 0.00232
47 2 O 1S -0.00136 0.01431 0.00000 0.00207 0.00845
48 2S 0.00326 -0.03299 0.00000 -0.00342 -0.02359
49 3S 0.00088 -0.00814 0.00000 -0.00080 -0.00564
50 4S -0.00023 0.00540 0.00000 -0.00132 0.01182
51 5S -0.00042 0.01155 0.00000 0.00029 0.01267
52 6PX 0.04336 0.01416 0.00000 0.05415 0.01497
53 6PY 0.00623 -0.05720 0.00000 0.00208 -0.06073
54 6PZ 0.00000 0.00000 0.04811 0.00000 0.00000
55 7PX 0.05523 0.01787 0.00000 0.06899 0.01887
56 7PY 0.00770 -0.07048 0.00000 0.00260 -0.07475
57 7PZ 0.00000 0.00000 0.06218 0.00000 0.00000
58 8PX 0.03809 0.01472 0.00000 0.04766 0.01562
59 8PY 0.00330 -0.03147 0.00000 0.00201 -0.03492
60 8PZ 0.00000 0.00000 0.04266 0.00000 0.00000
61 9PX 0.00380 0.00171 0.00000 0.00479 0.00179
62 9PY -0.00002 0.00116 0.00000 0.00018 0.00102
63 9PZ 0.00000 0.00000 0.00351 0.00000 0.00000
64 10D 0 -0.00014 0.00144 0.00000 0.00000 0.00146
65 10D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00180 0.00000 0.00000
67 10D+2 -0.00026 0.00255 0.00000 -0.00002 0.00260
68 10D-2 0.00148 0.00010 0.00000 0.00186 0.00006
69 11D 0 -0.00026 0.00317 0.00000 0.00005 0.00322
70 11D+1 0.00000 0.00000 -0.00011 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00512 0.00000 0.00000
72 11D+2 -0.00065 0.00594 0.00000 -0.00013 0.00605
73 11D-2 0.00391 0.00021 0.00000 0.00491 0.00011
74 12D 0 0.00024 -0.00027 0.00000 0.00016 -0.00013
75 12D+1 0.00000 0.00000 -0.00003 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00210 0.00000 0.00000
77 12D+2 0.00011 -0.00055 0.00000 -0.00008 -0.00032
78 12D-2 0.00174 0.00072 0.00000 0.00229 0.00066
79 13F 0 0.00000 0.00000 -0.00049 0.00000 0.00000
80 13F+1 -0.00013 0.00004 0.00000 -0.00016 0.00006
81 13F-1 -0.00005 0.00064 0.00000 0.00003 0.00063
82 13F+2 0.00000 0.00000 -0.00083 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 -0.00087 0.00000 0.00000 -0.00109 0.00003
85 13F-3 -0.00009 0.00105 0.00000 0.00002 0.00106
86 14F 0 0.00000 0.00000 -0.00028 0.00000 0.00000
87 14F+1 0.00004 -0.00004 0.00000 0.00007 -0.00006
88 14F-1 -0.00005 0.00064 0.00000 -0.00002 0.00069
89 14F+2 0.00000 0.00000 -0.00058 0.00000 0.00000
90 14F-2 0.00000 0.00000 -0.00003 0.00000 0.00000
91 14F+3 -0.00049 -0.00010 0.00000 -0.00059 -0.00011
92 14F-3 -0.00016 0.00100 0.00000 -0.00012 0.00106
93 3 H 1S -0.01791 0.02800 0.00000 -0.02386 0.03382
94 2S -0.02184 0.04334 0.00000 -0.02750 0.04983
95 3S 0.00021 0.00198 0.00000 0.00236 -0.00011
96 4S 0.00043 0.00006 0.00000 0.00068 -0.00012
97 5PX -0.00141 0.00257 0.00000 -0.00184 0.00303
98 5PY 0.00134 -0.00118 0.00000 0.00175 -0.00145
99 5PZ 0.00000 0.00000 0.00043 0.00000 0.00000
100 6PX 0.00014 0.00511 0.00000 0.00073 0.00513
101 6PY 0.00089 -0.00220 0.00000 0.00072 -0.00204
102 6PZ 0.00000 0.00000 0.00150 0.00000 0.00000
103 7PX 0.00168 -0.00146 0.00000 0.00278 -0.00244
104 7PY 0.00129 0.00036 0.00000 0.00113 0.00094
105 7PZ 0.00000 0.00000 -0.00080 0.00000 0.00000
106 8D 0 0.00027 -0.00040 0.00000 0.00033 -0.00044
107 8D+1 0.00000 0.00000 0.00016 0.00000 0.00000
108 8D-1 0.00000 0.00000 -0.00019 0.00000 0.00000
109 8D+2 0.00011 0.00068 0.00000 0.00017 0.00073
110 8D-2 0.00061 -0.00081 0.00000 0.00072 -0.00089
111 9D 0 -0.00048 -0.00104 0.00000 -0.00075 -0.00100
112 9D+1 0.00000 0.00000 -0.00005 0.00000 0.00000
113 9D-1 0.00000 0.00000 -0.00013 0.00000 0.00000
114 9D+2 0.00016 -0.00008 0.00000 0.00022 -0.00013
115 9D-2 -0.00045 -0.00067 0.00000 -0.00072 -0.00055
11 12 13 14 15
11 7PZ 0.04634
12 8PX 0.00000 0.00701
13 8PY 0.00000 -0.00749 0.01192
14 8PZ 0.02065 0.00000 0.00000 0.00921
15 9PX 0.00000 0.00002 -0.00041 0.00000 0.00005
16 9PY 0.00000 -0.00022 0.00029 0.00000 -0.00001
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.00049 -0.00025 0.00000 0.00001
19 10D+1 -0.00029 0.00000 0.00000 -0.00013 0.00000
20 10D-1 -0.00514 0.00000 0.00000 -0.00229 0.00000
21 10D+2 0.00000 -0.00071 0.00131 0.00000 0.00000
22 10D-2 0.00000 0.00060 -0.00206 0.00000 0.00017
23 11D 0 0.00000 0.00134 -0.00123 0.00000 0.00002
24 11D+1 -0.00056 0.00000 0.00000 -0.00025 0.00000
25 11D-1 -0.00790 0.00000 0.00000 -0.00352 0.00000
26 11D+2 0.00000 -0.00109 0.00160 0.00000 -0.00002
27 11D-2 0.00000 0.00233 -0.00445 0.00000 0.00026
28 12D 0 0.00000 0.00063 -0.00083 0.00000 0.00001
29 12D+1 -0.00090 0.00000 0.00000 -0.00040 0.00000
30 12D-1 0.00027 0.00000 0.00000 0.00012 0.00000
31 12D+2 0.00000 -0.00008 0.00065 0.00000 -0.00008
32 12D-2 0.00000 0.00182 -0.00212 0.00000 0.00002
33 13F 0 -0.00102 0.00000 0.00000 -0.00045 0.00000
34 13F+1 0.00000 -0.00019 0.00011 0.00000 0.00001
35 13F-1 0.00000 0.00012 -0.00023 0.00000 0.00000
36 13F+2 -0.00148 0.00000 0.00000 -0.00066 0.00000
37 13F-2 -0.00008 0.00000 0.00000 -0.00004 0.00000
38 13F+3 0.00000 -0.00028 -0.00018 0.00000 0.00005
39 13F-3 0.00000 -0.00027 0.00009 0.00000 -0.00001
40 14F 0 -0.00044 0.00000 0.00000 -0.00020 0.00000
41 14F+1 0.00000 -0.00022 0.00024 0.00000 -0.00001
42 14F-1 0.00000 0.00018 -0.00012 0.00000 0.00000
43 14F+2 -0.00098 0.00000 0.00000 -0.00043 0.00000
44 14F-2 0.00016 0.00000 0.00000 0.00007 0.00000
45 14F+3 0.00000 0.00005 -0.00032 0.00000 0.00004
46 14F-3 0.00000 -0.00068 0.00105 0.00000 -0.00003
47 2 O 1S 0.00000 0.00077 -0.00220 0.00000 0.00010
48 2S 0.00000 -0.00196 0.00470 0.00000 -0.00040
49 3S 0.00000 -0.00049 0.00136 0.00000 -0.00011
50 4S 0.00000 -0.00067 0.00581 0.00000 -0.00018
51 5S 0.00000 -0.00121 0.00364 0.00000 -0.00012
52 6PX 0.00000 0.00535 0.01227 0.00000 -0.00210
53 6PY 0.00000 0.00378 -0.01279 0.00000 0.00017
54 6PZ 0.06252 0.00000 0.00000 0.02787 0.00000
55 7PX 0.00000 0.00686 0.01552 0.00000 -0.00267
56 7PY 0.00000 0.00474 -0.01578 0.00000 0.00021
57 7PZ 0.08081 0.00000 0.00000 0.03602 0.00000
58 8PX 0.00000 0.00428 0.01169 0.00000 -0.00188
59 8PY 0.00000 0.00385 -0.01000 0.00000 0.00025
60 8PZ 0.05545 0.00000 0.00000 0.02471 0.00000
61 9PX 0.00000 0.00043 0.00119 0.00000 -0.00019
62 9PY 0.00000 0.00007 0.00000 0.00000 0.00001
63 9PZ 0.00457 0.00000 0.00000 0.00204 0.00000
64 10D 0 0.00000 -0.00005 0.00023 0.00000 0.00000
65 10D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00234 0.00000 0.00000 0.00104 0.00000
67 10D+2 0.00000 -0.00009 0.00042 0.00000 0.00000
68 10D-2 0.00000 0.00031 0.00018 0.00000 -0.00006
69 11D 0 0.00000 -0.00014 0.00056 0.00000 -0.00001
70 11D+1 -0.00014 0.00000 0.00000 -0.00006 0.00000
71 11D-1 0.00666 0.00000 0.00000 0.00297 0.00000
72 11D+2 0.00000 -0.00031 0.00105 0.00000 -0.00001
73 11D-2 0.00000 0.00080 0.00049 0.00000 -0.00016
74 12D 0 0.00000 -0.00014 0.00029 0.00000 -0.00003
75 12D+1 -0.00004 0.00000 0.00000 -0.00002 0.00000
76 12D-1 0.00273 0.00000 0.00000 0.00122 0.00000
77 12D+2 0.00000 -0.00021 0.00033 0.00000 -0.00002
78 12D-2 0.00000 0.00039 0.00026 0.00000 -0.00007
79 13F 0 -0.00064 0.00000 0.00000 -0.00028 0.00000
80 13F+1 0.00000 -0.00004 0.00002 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00007 0.00000 0.00000
82 13F+2 -0.00107 0.00000 0.00000 -0.00048 0.00000
83 13F-2 0.00001 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 -0.00019 -0.00009 0.00000 0.00003
85 13F-3 0.00000 -0.00003 0.00017 0.00000 0.00000
86 14F 0 -0.00036 0.00000 0.00000 -0.00016 0.00000
87 14F+1 0.00000 0.00005 -0.00007 0.00000 0.00000
88 14F-1 0.00000 -0.00010 0.00022 0.00000 -0.00001
89 14F+2 -0.00075 0.00000 0.00000 -0.00033 0.00000
90 14F-2 -0.00004 0.00000 0.00000 -0.00002 0.00000
91 14F+3 0.00000 -0.00005 -0.00014 0.00000 0.00002
92 14F-3 0.00000 -0.00013 0.00027 0.00000 0.00000
93 3 H 1S 0.00000 -0.01409 0.01686 0.00000 -0.00021
94 2S 0.00000 -0.01648 0.02077 0.00000 -0.00022
95 3S 0.00000 0.00371 -0.00499 0.00000 0.00029
96 4S 0.00000 0.00036 -0.00035 0.00000 0.00001
97 5PX 0.00000 -0.00113 0.00141 0.00000 -0.00002
98 5PY 0.00000 0.00075 -0.00068 0.00000 -0.00001
99 5PZ 0.00056 0.00000 0.00000 0.00025 0.00000
100 6PX 0.00000 -0.00025 0.00109 0.00000 -0.00004
101 6PY 0.00000 0.00002 0.00007 0.00000 -0.00004
102 6PZ 0.00194 0.00000 0.00000 0.00087 0.00000
103 7PX 0.00000 0.00209 -0.00252 0.00000 0.00008
104 7PY 0.00000 -0.00076 0.00171 0.00000 -0.00014
105 7PZ -0.00104 0.00000 0.00000 -0.00046 0.00000
106 8D 0 0.00000 0.00015 -0.00015 0.00000 0.00000
107 8D+1 0.00020 0.00000 0.00000 0.00009 0.00000
108 8D-1 -0.00024 0.00000 0.00000 -0.00011 0.00000
109 8D+2 0.00000 -0.00010 0.00028 0.00000 -0.00002
110 8D-2 0.00000 0.00028 -0.00026 0.00000 -0.00001
111 9D 0 0.00000 -0.00013 -0.00016 0.00000 0.00002
112 9D+1 -0.00006 0.00000 0.00000 -0.00003 0.00000
113 9D-1 -0.00017 0.00000 0.00000 -0.00008 0.00000
114 9D+2 0.00000 0.00009 -0.00009 0.00000 0.00000
115 9D-2 0.00000 -0.00022 0.00006 0.00000 0.00001
16 17 18 19 20
16 9PY 0.00001
17 9PZ 0.00000 0.00000
18 10D 0 -0.00004 0.00000 0.00021
19 10D+1 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00003 0.00057
21 10D+2 -0.00002 0.00000 0.00027 0.00000 0.00000
22 10D-2 -0.00004 0.00000 0.00001 0.00000 0.00000
23 11D 0 -0.00007 0.00000 0.00030 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00006
25 11D-1 0.00000 0.00000 0.00000 0.00005 0.00088
26 11D+2 0.00001 0.00000 0.00011 0.00000 0.00000
27 11D-2 -0.00013 0.00000 0.00025 0.00000 0.00000
28 12D 0 -0.00001 0.00000 -0.00002 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00001 0.00010
30 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00003
31 12D+2 0.00003 0.00000 -0.00009 0.00000 0.00000
32 12D-2 -0.00006 0.00000 0.00010 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00001 0.00011
34 13F+1 0.00001 0.00000 -0.00003 0.00000 0.00000
35 13F-1 0.00000 0.00000 -0.00005 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00001 0.00016
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00001
38 13F+3 0.00000 0.00000 -0.00003 0.00000 0.00000
39 13F-3 0.00003 0.00000 -0.00016 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00005
41 14F+1 0.00001 0.00000 -0.00003 0.00000 0.00000
42 14F-1 -0.00001 0.00000 0.00006 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00001 0.00011
44 14F-2 0.00000 0.00000 0.00000 0.00000 -0.00002
45 14F+3 -0.00001 0.00000 0.00002 0.00000 0.00000
46 14F-3 0.00002 0.00000 -0.00001 0.00000 0.00000
47 2 O 1S -0.00049 0.00000 0.00117 0.00000 0.00000
48 2S 0.00101 0.00000 -0.00302 0.00000 0.00000
49 3S 0.00027 0.00000 -0.00076 0.00000 0.00000
50 4S 0.00045 0.00000 0.00003 0.00000 0.00000
51 5S 0.00003 0.00000 0.00049 0.00000 0.00000
52 6PX 0.00017 0.00000 0.00057 0.00000 0.00000
53 6PY 0.00011 0.00000 -0.00311 0.00000 0.00000
54 6PZ 0.00000 -0.00001 0.00000 -0.00039 -0.00694
55 7PX 0.00021 0.00000 0.00073 0.00000 0.00000
56 7PY 0.00013 0.00000 -0.00382 0.00000 0.00000
57 7PZ 0.00000 -0.00001 0.00000 -0.00051 -0.00896
58 8PX 0.00016 0.00000 0.00056 0.00000 0.00000
59 8PY -0.00010 0.00000 -0.00128 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 -0.00035 -0.00615
61 9PX 0.00001 0.00000 0.00007 0.00000 0.00000
62 9PY -0.00002 0.00000 0.00010 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 -0.00003 -0.00051
64 10D 0 -0.00001 0.00000 0.00009 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 -0.00001 -0.00026
67 10D+2 -0.00001 0.00000 0.00016 0.00000 0.00000
68 10D-2 0.00000 0.00000 0.00002 0.00000 0.00000
69 11D 0 -0.00002 0.00000 0.00019 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00002
71 11D-1 0.00000 0.00000 0.00000 -0.00004 -0.00074
72 11D+2 -0.00003 0.00000 0.00035 0.00000 0.00000
73 11D-2 0.00000 0.00000 0.00005 0.00000 0.00000
74 12D 0 0.00002 0.00000 -0.00006 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 -0.00002 -0.00030
77 12D+2 0.00003 0.00000 -0.00009 0.00000 0.00000
78 12D-2 -0.00001 0.00000 0.00007 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00007
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 -0.00001 0.00000 0.00004 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00001 0.00012
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 -0.00001 0.00000 0.00000
85 13F-3 -0.00001 0.00000 0.00007 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00004
87 14F+1 0.00000 0.00000 0.00001 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00002 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00008
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00004 0.00000 0.00000
93 3 H 1S 0.00043 0.00000 -0.00073 0.00000 0.00000
94 2S 0.00040 0.00000 -0.00011 0.00000 0.00000
95 3S -0.00026 0.00000 0.00099 0.00000 0.00000
96 4S -0.00002 0.00000 0.00007 0.00000 0.00000
97 5PX 0.00003 0.00000 -0.00004 0.00000 0.00000
98 5PY -0.00002 0.00000 0.00004 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00006
100 6PX -0.00003 0.00000 0.00028 0.00000 0.00000
101 6PY 0.00003 0.00000 -0.00018 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 -0.00001 -0.00022
103 7PX -0.00010 0.00000 0.00033 0.00000 0.00000
104 7PY 0.00007 0.00000 -0.00020 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00001 0.00012
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00002
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00003
109 8D+2 0.00000 0.00000 0.00002 0.00000 0.00000
110 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
111 9D 0 0.00001 0.00000 -0.00008 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002
114 9D+2 0.00000 0.00000 0.00001 0.00000 0.00000
115 9D-2 0.00002 0.00000 -0.00008 0.00000 0.00000
21 22 23 24 25
21 10D+2 0.00065
22 10D-2 -0.00015 0.00064
23 11D 0 0.00024 0.00014 0.00052
24 11D+1 0.00000 0.00000 0.00000 0.00001
25 11D-1 0.00000 0.00000 0.00000 0.00010 0.00135
26 11D+2 0.00045 -0.00020 0.00000 0.00000 0.00000
27 11D-2 -0.00014 0.00107 0.00064 0.00000 0.00000
28 12D 0 -0.00019 0.00010 0.00005 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00001 0.00015
30 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00005
31 12D+2 -0.00014 -0.00026 -0.00014 0.00000 0.00000
32 12D-2 -0.00024 0.00021 0.00032 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00001 0.00017
34 13F+1 -0.00002 0.00001 -0.00006 0.00000 0.00000
35 13F-1 -0.00011 0.00002 -0.00004 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00002 0.00025
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00001
38 13F+3 0.00000 0.00017 -0.00005 0.00000 0.00000
39 13F-3 -0.00022 -0.00002 -0.00022 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00001 0.00008
41 14F+1 -0.00001 -0.00003 -0.00006 0.00000 0.00000
42 14F-1 0.00006 0.00001 0.00009 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00001 0.00017
44 14F-2 0.00000 0.00000 0.00000 0.00000 -0.00003
45 14F+3 0.00002 0.00013 0.00005 0.00000 0.00000
46 14F-3 0.00015 -0.00016 -0.00009 0.00000 0.00000
47 2 O 1S 0.00219 -0.00021 0.00094 0.00000 0.00000
48 2S -0.00581 0.00064 -0.00289 0.00000 0.00000
49 3S -0.00149 0.00018 -0.00071 0.00000 0.00000
50 4S -0.00047 0.00055 0.00077 0.00000 0.00000
51 5S 0.00112 -0.00053 0.00050 0.00000 0.00000
52 6PX 0.00031 -0.00700 0.00051 0.00000 0.00000
53 6PY -0.00621 0.00114 -0.00362 0.00000 0.00000
54 6PZ 0.00000 0.00000 0.00000 -0.00075 -0.01066
55 7PX 0.00039 -0.00890 0.00065 0.00000 0.00000
56 7PY -0.00766 0.00144 -0.00442 0.00000 0.00000
57 7PZ 0.00000 0.00000 0.00000 -0.00097 -0.01378
58 8PX 0.00048 -0.00635 0.00045 0.00000 0.00000
59 8PY -0.00302 0.00117 -0.00130 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 -0.00067 -0.00945
61 9PX 0.00008 -0.00064 0.00007 0.00000 0.00000
62 9PY 0.00017 -0.00001 0.00011 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 -0.00006 -0.00078
64 10D 0 0.00017 -0.00002 0.00011 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 -0.00003 -0.00040
67 10D+2 0.00030 -0.00004 0.00019 0.00000 0.00000
68 10D-2 -0.00001 -0.00019 0.00004 0.00000 0.00000
69 11D 0 0.00037 -0.00007 0.00021 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00002
71 11D-1 0.00000 0.00000 0.00000 -0.00008 -0.00114
72 11D+2 0.00069 -0.00012 0.00039 0.00000 0.00000
73 11D-2 -0.00005 -0.00050 0.00009 0.00000 0.00000
74 12D 0 -0.00008 -0.00008 -0.00009 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00001
76 12D-1 0.00000 0.00000 0.00000 -0.00003 -0.00047
77 12D+2 -0.00013 -0.00006 -0.00013 0.00000 0.00000
78 12D-2 0.00006 -0.00023 0.00011 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00001 0.00011
80 13F+1 0.00000 0.00001 -0.00001 0.00000 0.00000
81 13F-1 0.00008 -0.00001 0.00005 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00001 0.00018
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00001 0.00011 -0.00002 0.00000 0.00000
85 13F-3 0.00013 -0.00002 0.00008 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00006
87 14F+1 0.00000 0.00001 0.00002 0.00000 0.00000
88 14F-1 0.00006 -0.00004 0.00001 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00001 0.00013
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00001
91 14F+3 0.00001 0.00008 0.00000 0.00000 0.00000
92 14F-3 0.00011 -0.00003 0.00004 0.00000 0.00000
93 3 H 1S 0.00195 -0.00194 -0.00251 0.00000 0.00000
94 2S 0.00363 -0.00238 -0.00205 0.00000 0.00000
95 3S 0.00088 0.00113 0.00168 0.00000 0.00000
96 4S 0.00005 0.00003 0.00013 0.00000 0.00000
97 5PX 0.00019 -0.00017 -0.00018 0.00000 0.00000
98 5PY -0.00009 0.00002 0.00013 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 -0.00001 -0.00010
100 6PX 0.00059 -0.00025 0.00028 0.00000 0.00000
101 6PY -0.00032 -0.00010 -0.00022 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 -0.00002 -0.00033
103 7PX 0.00009 0.00041 0.00065 0.00000 0.00000
104 7PY -0.00016 -0.00051 -0.00037 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00001 0.00018
106 8D 0 -0.00004 0.00001 0.00001 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00003
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00004
109 8D+2 0.00006 -0.00007 0.00001 0.00000 0.00000
110 8D-2 -0.00009 0.00000 0.00001 0.00000 0.00000
111 9D 0 -0.00012 0.00008 -0.00011 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00003
114 9D+2 0.00000 0.00000 0.00002 0.00000 0.00000
115 9D-2 -0.00010 0.00004 -0.00011 0.00000 0.00000
26 27 28 29 30
26 11D+2 0.00037
27 11D-2 -0.00039 0.00216
28 12D 0 -0.00017 0.00024 0.00009
29 12D+1 0.00000 0.00000 0.00000 0.00002
30 12D-1 0.00000 0.00000 0.00000 -0.00001 0.00000
31 12D+2 -0.00005 -0.00047 0.00001 0.00000 0.00000
32 12D-2 -0.00032 0.00068 0.00018 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00002 -0.00001
34 13F+1 0.00000 -0.00004 -0.00001 0.00000 0.00000
35 13F-1 -0.00008 0.00002 0.00003 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00003 -0.00001
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00001 0.00020 -0.00001 0.00000 0.00000
39 13F-3 -0.00010 -0.00018 0.00002 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00001 0.00000
41 14F+1 0.00002 -0.00011 -0.00002 0.00000 0.00000
42 14F-1 0.00002 0.00009 0.00000 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00002 -0.00001
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00022 0.00001 0.00000 0.00000
46 14F-3 0.00016 -0.00035 -0.00008 0.00000 0.00000
47 2 O 1S 0.00022 0.00106 -0.00073 0.00000 0.00000
48 2S -0.00339 -0.00152 0.00182 0.00000 0.00000
49 3S -0.00093 -0.00033 0.00049 0.00000 0.00000
50 4S -0.00044 0.00075 0.00070 0.00000 0.00000
51 5S 0.00077 -0.00064 -0.00027 0.00000 0.00000
52 6PX 0.00031 -0.00935 -0.00008 0.00000 0.00000
53 6PY -0.00389 0.00005 0.00127 0.00000 0.00000
54 6PZ 0.00000 0.00000 0.00000 -0.00121 0.00036
55 7PX 0.00039 -0.01187 -0.00010 0.00000 0.00000
56 7PY -0.00480 0.00014 0.00158 0.00000 0.00000
57 7PZ 0.00000 0.00000 0.00000 -0.00157 0.00047
58 8PX 0.00045 -0.00853 -0.00015 0.00000 0.00000
59 8PY -0.00210 0.00142 0.00071 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 -0.00107 0.00032
61 9PX 0.00006 -0.00085 -0.00002 0.00000 0.00000
62 9PY 0.00009 0.00006 -0.00004 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 -0.00009 0.00003
64 10D 0 0.00010 0.00003 -0.00004 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 -0.00005 0.00001
67 10D+2 0.00018 0.00004 -0.00006 0.00000 0.00000
68 10D-2 -0.00002 -0.00022 0.00001 0.00000 0.00000
69 11D 0 0.00023 0.00001 -0.00008 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 -0.00013 0.00004
72 11D+2 0.00043 0.00003 -0.00016 0.00000 0.00000
73 11D-2 -0.00006 -0.00059 0.00004 0.00000 0.00000
74 12D 0 -0.00002 -0.00018 0.00001 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 -0.00005 0.00002
77 12D+2 -0.00005 -0.00019 0.00002 0.00000 0.00000
78 12D-2 0.00002 -0.00023 0.00000 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00001 0.00000
80 13F+1 0.00001 0.00001 0.00000 0.00000 0.00000
81 13F-1 0.00005 0.00002 -0.00002 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00002 -0.00001
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00002 0.00012 -0.00001 0.00000 0.00000
85 13F-3 0.00008 0.00001 -0.00003 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00001 0.00000
87 14F+1 0.00000 0.00003 0.00000 0.00000 0.00000
88 14F-1 0.00005 -0.00006 -0.00002 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00001 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00011 0.00000 0.00000 0.00000
92 14F-3 0.00007 -0.00004 -0.00003 0.00000 0.00000
93 3 H 1S 0.00257 -0.00565 -0.00143 0.00000 0.00000
94 2S 0.00379 -0.00624 -0.00196 0.00000 0.00000
95 3S 0.00006 0.00298 0.00013 0.00000 0.00000
96 4S -0.00001 0.00016 0.00001 0.00000 0.00000
97 5PX 0.00023 -0.00046 -0.00012 0.00000 0.00000
98 5PY -0.00012 0.00018 0.00007 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
100 6PX 0.00038 -0.00022 -0.00015 0.00000 0.00000
101 6PY -0.00018 -0.00028 0.00007 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 -0.00004 0.00001
103 7PX -0.00018 0.00117 0.00014 0.00000 0.00000
104 7PY 0.00002 -0.00103 -0.00004 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00002 -0.00001
106 8D 0 -0.00004 0.00003 0.00002 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00005 -0.00011 -0.00002 0.00000 0.00000
110 8D-2 -0.00007 0.00003 0.00004 0.00000 0.00000
111 9D 0 -0.00006 0.00003 0.00002 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 -0.00001 0.00002 0.00000 0.00000 0.00000
115 9D-2 -0.00004 -0.00004 0.00001 0.00000 0.00000
31 32 33 34 35
31 12D+2 0.00018
32 12D-2 -0.00003 0.00049
33 13F 0 0.00000 0.00000 0.00002
34 13F+1 0.00000 -0.00004 0.00000 0.00001
35 13F-1 0.00002 0.00004 0.00000 0.00000 0.00002
36 13F+2 0.00000 0.00000 0.00003 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 -0.00008 -0.00005 0.00000 0.00002 0.00000
39 13F-3 0.00007 -0.00005 0.00000 0.00002 0.00004
40 14F 0 0.00000 0.00000 0.00001 0.00000 0.00000
41 14F+1 0.00002 -0.00006 0.00000 0.00001 0.00000
42 14F-1 -0.00002 0.00004 0.00000 -0.00001 -0.00001
43 14F+2 0.00000 0.00000 0.00002 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 -0.00007 0.00002 0.00000 0.00000 -0.00001
46 14F-3 0.00004 -0.00019 0.00000 0.00001 -0.00003
47 2 O 1S -0.00120 0.00000 0.00000 -0.00020 -0.00023
48 2S 0.00321 0.00011 0.00000 0.00036 0.00056
49 3S 0.00086 0.00004 0.00000 0.00009 0.00013
50 4S 0.00127 -0.00006 0.00000 -0.00001 -0.00029
51 5S 0.00005 -0.00044 0.00000 -0.00006 -0.00023
52 6PX 0.00329 0.00068 0.00000 -0.00049 -0.00001
53 6PY 0.00076 0.00156 0.00000 0.00033 0.00125
54 6PZ 0.00000 0.00000 -0.00138 0.00000 0.00000
55 7PX 0.00418 0.00088 0.00000 -0.00063 -0.00001
56 7PY 0.00095 0.00195 0.00000 0.00041 0.00153
57 7PZ 0.00000 0.00000 -0.00178 0.00000 0.00000
58 8PX 0.00292 0.00046 0.00000 -0.00044 -0.00004
59 8PY -0.00008 0.00130 0.00000 0.00012 0.00064
60 8PZ 0.00000 0.00000 -0.00122 0.00000 0.00000
61 9PX 0.00028 0.00004 0.00000 -0.00005 -0.00001
62 9PY -0.00006 0.00000 0.00000 -0.00001 -0.00002
63 9PZ 0.00000 0.00000 -0.00010 0.00000 0.00000
64 10D 0 -0.00004 -0.00003 0.00000 -0.00001 -0.00003
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 -0.00005 0.00000 0.00000
67 10D+2 -0.00006 -0.00005 0.00000 -0.00002 -0.00006
68 10D-2 0.00009 0.00006 0.00000 -0.00002 0.00000
69 11D 0 -0.00007 -0.00007 0.00000 -0.00002 -0.00007
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 -0.00015 0.00000 0.00000
72 11D+2 -0.00014 -0.00015 0.00000 -0.00004 -0.00013
73 11D-2 0.00026 0.00016 0.00000 -0.00005 0.00001
74 12D 0 0.00007 -0.00003 0.00000 0.00001 0.00001
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 -0.00006 0.00000 0.00000
77 12D+2 0.00009 -0.00004 0.00000 0.00001 0.00002
78 12D-2 0.00009 0.00007 0.00000 -0.00003 -0.00001
79 13F 0 0.00000 0.00000 0.00001 0.00000 0.00000
80 13F+1 -0.00001 -0.00001 0.00000 0.00000 0.00000
81 13F-1 -0.00002 -0.00001 0.00000 -0.00001 -0.00001
82 13F+2 0.00000 0.00000 0.00002 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 -0.00006 -0.00004 0.00000 0.00001 0.00000
85 13F-3 -0.00003 -0.00002 0.00000 -0.00001 -0.00002
86 14F 0 0.00000 0.00000 0.00001 0.00000 0.00000
87 14F+1 -0.00001 0.00001 0.00000 0.00000 0.00000
88 14F-1 0.00000 -0.00003 0.00000 0.00000 -0.00001
89 14F+2 0.00000 0.00000 0.00002 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 -0.00004 -0.00001 0.00000 0.00000 0.00000
92 14F-3 -0.00001 -0.00004 0.00000 0.00000 -0.00002
93 3 H 1S 0.00030 -0.00378 0.00000 0.00032 -0.00031
94 2S -0.00003 -0.00456 0.00000 0.00029 -0.00060
95 3S -0.00082 0.00092 0.00000 -0.00015 -0.00016
96 4S -0.00003 0.00009 0.00000 -0.00002 -0.00001
97 5PX 0.00002 -0.00031 0.00000 0.00002 -0.00003
98 5PY 0.00002 0.00019 0.00000 -0.00002 0.00001
99 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
100 6PX -0.00008 -0.00014 0.00000 -0.00004 -0.00010
101 6PY 0.00016 0.00002 0.00000 0.00001 0.00005
102 6PZ 0.00000 0.00000 -0.00004 0.00000 0.00000
103 7PX -0.00022 0.00054 0.00000 -0.00007 -0.00002
104 7PY 0.00030 -0.00021 0.00000 0.00002 0.00003
105 7PZ 0.00000 0.00000 0.00002 0.00000 0.00000
106 8D 0 0.00001 0.00004 0.00000 0.00000 0.00001
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000
109 8D+2 0.00002 -0.00003 0.00000 0.00000 -0.00001
110 8D-2 0.00003 0.00008 0.00000 -0.00001 0.00001
111 9D 0 0.00000 -0.00001 0.00000 0.00002 0.00002
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00002 0.00000 0.00000 0.00000
115 9D-2 0.00002 -0.00004 0.00000 0.00002 0.00002
36 37 38 39 40
36 13F+2 0.00005
37 13F-2 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00008
39 13F-3 0.00000 0.00000 0.00001 0.00012
40 14F 0 0.00001 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00002 0.00000
42 14F-1 0.00000 0.00000 -0.00001 -0.00004 0.00000
43 14F+2 0.00003 0.00000 0.00000 0.00000 0.00001
44 14F-2 -0.00001 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00004 -0.00002 0.00000
46 14F-3 0.00000 0.00000 -0.00001 -0.00001 0.00000
47 2 O 1S 0.00000 0.00000 -0.00015 -0.00087 0.00000
48 2S 0.00000 0.00000 0.00030 0.00182 0.00000
49 3S 0.00000 0.00000 0.00008 0.00044 0.00000
50 4S 0.00000 0.00000 0.00017 -0.00047 0.00000
51 5S 0.00000 0.00000 -0.00011 -0.00044 0.00000
52 6PX 0.00000 0.00000 -0.00272 -0.00017 0.00000
53 6PY 0.00000 0.00000 0.00018 0.00269 0.00000
54 6PZ -0.00200 -0.00011 0.00000 0.00000 -0.00060
55 7PX 0.00000 0.00000 -0.00346 -0.00021 0.00000
56 7PY 0.00000 0.00000 0.00023 0.00330 0.00000
57 7PZ -0.00258 -0.00014 0.00000 0.00000 -0.00077
58 8PX 0.00000 0.00000 -0.00243 -0.00019 0.00000
59 8PY 0.00000 0.00000 0.00016 0.00119 0.00000
60 8PZ -0.00177 -0.00010 0.00000 0.00000 -0.00053
61 9PX 0.00000 0.00000 -0.00024 -0.00003 0.00000
62 9PY 0.00000 0.00000 -0.00001 -0.00007 0.00000
63 9PZ -0.00015 -0.00001 0.00000 0.00000 -0.00004
64 10D 0 0.00000 0.00000 -0.00001 -0.00007 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 -0.00007 0.00000 0.00000 0.00000 -0.00002
67 10D+2 0.00000 0.00000 -0.00001 -0.00013 0.00000
68 10D-2 0.00000 0.00000 -0.00008 -0.00001 0.00000
69 11D 0 0.00000 0.00000 -0.00002 -0.00015 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 -0.00021 -0.00001 0.00000 0.00000 -0.00006
72 11D+2 0.00000 0.00000 -0.00002 -0.00029 0.00000
73 11D-2 0.00000 0.00000 -0.00022 -0.00001 0.00000
74 12D 0 0.00000 0.00000 -0.00002 0.00004 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 -0.00009 0.00000 0.00000 0.00000 -0.00003
77 12D+2 0.00000 0.00000 -0.00001 0.00006 0.00000
78 12D-2 0.00000 0.00000 -0.00010 -0.00005 0.00000
79 13F 0 0.00002 0.00000 0.00000 0.00000 0.00001
80 13F+1 0.00000 0.00000 0.00001 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 -0.00003 0.00000
82 13F+2 0.00003 0.00000 0.00000 0.00000 0.00001
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00005 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 -0.00005 0.00000
86 14F 0 0.00001 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 -0.00001 0.00000
88 14F-1 0.00000 0.00000 -0.00001 -0.00002 0.00000
89 14F+2 0.00002 0.00000 0.00000 0.00000 0.00001
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00003 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 -0.00004 0.00000
93 3 H 1S 0.00000 0.00000 0.00031 0.00037 0.00000
94 2S 0.00000 0.00000 0.00032 -0.00015 0.00000
95 3S 0.00000 0.00000 0.00012 -0.00074 0.00000
96 4S 0.00000 0.00000 -0.00001 -0.00005 0.00000
97 5PX 0.00000 0.00000 0.00002 0.00001 0.00000
98 5PY 0.00000 0.00000 -0.00004 -0.00002 0.00000
99 5PZ -0.00002 0.00000 0.00000 0.00000 -0.00001
100 6PX 0.00000 0.00000 -0.00007 -0.00022 0.00000
101 6PY 0.00000 0.00000 -0.00003 0.00014 0.00000
102 6PZ -0.00006 0.00000 0.00000 0.00000 -0.00002
103 7PX 0.00000 0.00000 -0.00001 -0.00023 0.00000
104 7PY 0.00000 0.00000 -0.00012 0.00016 0.00000
105 7PZ 0.00003 0.00000 0.00000 0.00000 0.00001
106 8D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
107 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00001 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 -0.00002 -0.00001 0.00000
110 8D-2 0.00000 0.00000 -0.00002 0.00001 0.00000
111 9D 0 0.00000 0.00000 0.00004 0.00006 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 -0.00001 -0.00001 0.00000
115 9D-2 0.00000 0.00000 0.00003 0.00006 0.00000
41 42 43 44 45
41 14F+1 0.00001
42 14F-1 -0.00001 0.00002
43 14F+2 0.00000 0.00000 0.00002
44 14F-2 0.00000 0.00000 0.00000 0.00000
45 14F+3 -0.00001 0.00001 0.00000 0.00000 0.00003
46 14F-3 0.00002 -0.00001 0.00000 0.00000 -0.00002
47 2 O 1S -0.00010 0.00044 0.00000 0.00000 0.00019
48 2S 0.00011 -0.00029 0.00000 0.00000 -0.00008
49 3S 0.00002 -0.00004 0.00000 0.00000 0.00000
50 4S -0.00018 0.00043 0.00000 0.00000 0.00031
51 5S -0.00003 0.00016 0.00000 0.00000 0.00000
52 6PX 0.00003 0.00012 0.00000 0.00000 -0.00159
53 6PY 0.00028 -0.00097 0.00000 0.00000 -0.00039
54 6PZ 0.00000 0.00000 -0.00132 0.00022 0.00000
55 7PX 0.00004 0.00015 0.00000 0.00000 -0.00202
56 7PY 0.00033 -0.00118 0.00000 0.00000 -0.00047
57 7PZ 0.00000 0.00000 -0.00170 0.00028 0.00000
58 8PX 0.00004 0.00012 0.00000 0.00000 -0.00142
59 8PY 0.00007 -0.00044 0.00000 0.00000 -0.00008
60 8PZ 0.00000 0.00000 -0.00117 0.00019 0.00000
61 9PX 0.00000 0.00002 0.00000 0.00000 -0.00014
62 9PY -0.00001 0.00002 0.00000 0.00000 0.00001
63 9PZ 0.00000 0.00000 -0.00010 0.00002 0.00000
64 10D 0 -0.00001 0.00002 0.00000 0.00000 0.00001
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 -0.00005 0.00001 0.00000
67 10D+2 -0.00001 0.00004 0.00000 0.00000 0.00002
68 10D-2 0.00000 0.00001 0.00000 0.00000 -0.00004
69 11D 0 -0.00001 0.00005 0.00000 0.00000 0.00002
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 -0.00014 0.00002 0.00000
72 11D+2 -0.00003 0.00009 0.00000 0.00000 0.00004
73 11D-2 -0.00001 0.00001 0.00000 0.00000 -0.00012
74 12D 0 0.00001 -0.00001 0.00000 0.00000 -0.00002
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 -0.00006 0.00001 0.00000
77 12D+2 0.00001 -0.00002 0.00000 0.00000 -0.00002
78 12D-2 -0.00001 0.00002 0.00000 0.00000 -0.00005
79 13F 0 0.00000 0.00000 0.00001 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00001 0.00000 0.00000 0.00001
82 13F+2 0.00000 0.00000 0.00002 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00003
85 13F-3 -0.00001 0.00002 0.00000 0.00000 0.00001
86 14F 0 0.00000 0.00000 0.00001 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00001 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00002 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00002
92 14F-3 0.00000 0.00001 0.00000 0.00000 0.00000
93 3 H 1S 0.00044 -0.00031 0.00000 0.00000 -0.00023
94 2S 0.00045 -0.00018 0.00000 0.00000 -0.00018
95 3S -0.00021 0.00029 0.00000 0.00000 0.00032
96 4S -0.00002 0.00002 0.00000 0.00000 0.00001
97 5PX 0.00003 -0.00002 0.00000 0.00000 -0.00002
98 5PY -0.00002 0.00002 0.00000 0.00000 -0.00001
99 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
100 6PX -0.00001 0.00007 0.00000 0.00000 -0.00001
101 6PY 0.00002 -0.00004 0.00000 0.00000 -0.00005
102 6PZ 0.00000 0.00000 -0.00004 0.00001 0.00000
103 7PX -0.00009 0.00011 0.00000 0.00000 0.00009
104 7PY 0.00005 -0.00006 0.00000 0.00000 -0.00013
105 7PZ 0.00000 0.00000 0.00002 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 -0.00001
110 8D-2 0.00000 0.00000 0.00000 0.00000 -0.00001
111 9D 0 0.00001 -0.00002 0.00000 0.00000 0.00001
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00001 -0.00002 0.00000 0.00000 0.00000
46 47 48 49 50
46 14F-3 0.00010
47 2 O 1S 0.00037 1.00024
48 2S 0.00024 -0.12355 0.28091
49 3S 0.00010 0.01102 0.07730 0.02345
50 4S 0.00064 -0.07419 0.19074 0.05397 0.15818
51 5S 0.00038 -0.00459 0.01069 0.00327 0.01639
52 6PX 0.00076 0.00142 -0.00363 -0.00098 -0.00365
53 6PY -0.00152 0.01262 -0.03269 -0.01088 -0.07307
54 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
55 7PX 0.00096 0.00181 -0.00474 -0.00129 -0.00477
56 7PY -0.00187 0.00985 -0.03668 -0.01258 -0.08697
57 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
58 8PX 0.00075 0.00223 -0.00483 -0.00128 -0.00351
59 8PY -0.00106 0.01458 -0.03855 -0.01164 -0.05235
60 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
61 9PX 0.00008 0.00039 -0.00079 -0.00020 -0.00037
62 9PY 0.00001 0.00158 -0.00401 -0.00109 -0.00201
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
64 10D 0 0.00003 0.00016 -0.00065 -0.00014 0.00076
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00005 0.00031 -0.00087 -0.00017 0.00156
68 10D-2 0.00001 0.00003 -0.00009 -0.00003 -0.00012
69 11D 0 0.00007 0.00122 -0.00212 -0.00048 0.00100
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00013 0.00218 -0.00339 -0.00074 0.00232
73 11D-2 0.00002 -0.00001 -0.00005 -0.00002 -0.00028
74 12D 0 0.00002 -0.00095 0.00203 0.00054 0.00090
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00002 -0.00184 0.00416 0.00112 0.00227
78 12D-2 0.00002 0.00039 -0.00054 -0.00012 0.00013
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00001
81 13F-1 0.00001 0.00032 -0.00064 -0.00015 0.00009
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00001 0.00002 0.00001 0.00008
85 13F-3 0.00002 0.00036 -0.00075 -0.00017 0.00032
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 -0.00001 0.00005 -0.00009 -0.00002 0.00001
88 14F-1 0.00002 0.00012 -0.00014 -0.00002 0.00025
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 -0.00001 0.00006 -0.00014 -0.00004 -0.00002
92 14F-3 0.00003 0.00032 -0.00043 -0.00009 0.00035
93 3 H 1S 0.00153 0.00301 -0.00787 -0.00224 -0.00530
94 2S 0.00196 0.01052 -0.02356 -0.00625 -0.00762
95 3S -0.00033 0.00549 -0.01149 -0.00279 0.00168
96 4S -0.00003 0.00046 -0.00118 -0.00031 -0.00026
97 5PX 0.00013 0.00046 -0.00103 -0.00028 -0.00047
98 5PY -0.00007 -0.00023 0.00052 0.00015 0.00040
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00012 0.00335 -0.00706 -0.00182 -0.00178
101 6PY -0.00002 -0.00232 0.00448 0.00115 0.00112
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX -0.00020 0.00127 -0.00210 -0.00046 0.00120
104 7PY 0.00012 -0.00148 0.00334 0.00085 0.00031
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 -0.00002 -0.00020 0.00049 0.00013 0.00023
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00003 0.00022 -0.00046 -0.00012 -0.00007
110 8D-2 -0.00003 -0.00039 0.00082 0.00021 0.00024
111 9D 0 -0.00002 -0.00058 0.00097 0.00023 -0.00019
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 -0.00001 0.00022 -0.00055 -0.00015 -0.00039
115 9D-2 0.00000 -0.00087 0.00205 0.00054 0.00077
51 52 53 54 55
51 5S 0.00398
52 6PX 0.00451 0.09889
53 6PY -0.01924 -0.00673 0.09928
54 6PZ 0.00000 0.00000 0.00000 0.08436
55 7PX 0.00570 0.12581 -0.00843 0.00000 0.16005
56 7PY -0.02339 -0.00854 0.12084 0.00000 -0.01071
57 7PZ 0.00000 0.00000 0.00000 0.10904 0.00000
58 8PX 0.00437 0.08855 -0.00774 0.00000 0.11264
59 8PY -0.01144 -0.00791 0.05560 0.00000 -0.00997
60 8PZ 0.00000 0.00000 0.00000 0.07481 0.00000
61 9PX 0.00049 0.00889 -0.00109 0.00000 0.01130
62 9PY 0.00008 0.00018 -0.00080 0.00000 0.00023
63 9PZ 0.00000 0.00000 0.00000 0.00616 0.00000
64 10D 0 0.00039 0.00013 -0.00214 0.00000 0.00016
65 10D+1 0.00000 0.00000 0.00000 -0.00001 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00315 0.00000
67 10D+2 0.00071 0.00021 -0.00388 0.00000 0.00026
68 10D-2 0.00009 0.00295 -0.00004 0.00000 0.00375
69 11D 0 0.00079 0.00053 -0.00433 0.00000 0.00067
70 11D+1 0.00000 0.00000 0.00000 -0.00019 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00898 0.00000
72 11D+2 0.00150 0.00066 -0.00828 0.00000 0.00084
73 11D-2 0.00023 0.00783 0.00000 0.00000 0.00997
74 12D 0 0.00000 0.00082 0.00041 0.00000 0.00104
75 12D+1 0.00000 0.00000 0.00000 -0.00005 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00369 0.00000
77 12D+2 0.00006 0.00054 0.00028 0.00000 0.00068
78 12D-2 0.00027 0.00357 -0.00100 0.00000 0.00454
79 13F 0 0.00000 0.00000 0.00000 -0.00086 0.00000
80 13F+1 0.00000 -0.00020 -0.00002 0.00000 -0.00025
81 13F-1 0.00015 0.00006 -0.00087 0.00000 0.00007
82 13F+2 0.00000 0.00000 0.00000 -0.00145 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00001 0.00000
84 13F+3 -0.00004 -0.00170 -0.00005 0.00000 -0.00217
85 13F-3 0.00026 0.00014 -0.00146 0.00000 0.00017
86 14F 0 0.00000 0.00000 0.00000 -0.00048 0.00000
87 14F+1 0.00000 -0.00004 -0.00006 0.00000 -0.00005
88 14F-1 0.00015 0.00029 -0.00072 0.00000 0.00037
89 14F+2 0.00000 0.00000 0.00000 -0.00101 0.00000
90 14F-2 0.00000 0.00000 0.00000 -0.00005 0.00000
91 14F+3 -0.00004 -0.00111 0.00000 0.00000 -0.00142
92 14F-3 0.00024 0.00017 -0.00123 0.00000 0.00022
93 3 H 1S 0.00303 -0.00178 -0.00998 0.00000 -0.00240
94 2S 0.00579 -0.00133 -0.02516 0.00000 -0.00185
95 3S 0.00128 -0.00812 -0.01179 0.00000 -0.01030
96 4S 0.00006 0.00020 -0.00059 0.00000 0.00026
97 5PX 0.00031 0.00002 -0.00118 0.00000 0.00001
98 5PY -0.00007 0.00115 0.00029 0.00000 0.00147
99 5PZ 0.00000 0.00000 0.00000 0.00076 0.00000
100 6PX 0.00094 0.00245 -0.00517 0.00000 0.00311
101 6PY -0.00037 0.00152 0.00277 0.00000 0.00193
102 6PZ 0.00000 0.00000 0.00000 0.00262 0.00000
103 7PX 0.00019 -0.00143 -0.00267 0.00000 -0.00180
104 7PY 0.00000 0.00519 0.00185 0.00000 0.00660
105 7PZ 0.00000 0.00000 0.00000 -0.00140 0.00000
106 8D 0 -0.00004 0.00020 0.00021 0.00000 0.00025
107 8D+1 0.00000 0.00000 0.00000 0.00027 0.00000
108 8D-1 0.00000 0.00000 0.00000 -0.00033 0.00000
109 8D+2 0.00013 0.00070 -0.00056 0.00000 0.00089
110 8D-2 -0.00010 0.00059 0.00060 0.00000 0.00075
111 9D 0 -0.00028 -0.00115 0.00148 0.00000 -0.00146
112 9D+1 0.00000 0.00000 0.00000 -0.00008 0.00000
113 9D-1 0.00000 0.00000 0.00000 -0.00023 0.00000
114 9D+2 -0.00004 0.00017 0.00014 0.00000 0.00021
115 9D-2 -0.00013 -0.00078 0.00083 0.00000 -0.00100
56 57 58 59 60
56 7PY 0.14715
57 7PZ 0.00000 0.14093
58 8PX -0.00977 0.00000 0.07936
59 8PY 0.06751 0.00000 -0.00801 0.03345
60 8PZ 0.00000 0.09669 0.00000 0.00000 0.06634
61 9PX -0.00136 0.00000 0.00797 -0.00094 0.00000
62 9PY -0.00102 0.00000 0.00020 -0.00010 0.00000
63 9PZ 0.00000 0.00796 0.00000 0.00000 0.00546
64 10D 0 -0.00262 0.00000 0.00016 -0.00109 0.00000
65 10D+1 0.00000 -0.00001 0.00000 0.00000 -0.00001
66 10D-1 0.00000 0.00408 0.00000 0.00000 0.00280
67 10D+2 -0.00475 0.00000 0.00027 -0.00199 0.00000
68 10D-2 -0.00005 0.00000 0.00263 -0.00011 0.00000
69 11D 0 -0.00531 0.00000 0.00058 -0.00217 0.00000
70 11D+1 0.00000 -0.00025 0.00000 0.00000 -0.00017
71 11D-1 0.00000 0.01161 0.00000 0.00000 0.00797
72 11D+2 -0.01015 0.00000 0.00079 -0.00418 0.00000
73 11D-2 -0.00001 0.00000 0.00698 -0.00025 0.00000
74 12D 0 0.00052 0.00000 0.00072 -0.00003 0.00000
75 12D+1 0.00000 -0.00007 0.00000 0.00000 -0.00005
76 12D-1 0.00000 0.00477 0.00000 0.00000 0.00327
77 12D+2 0.00039 0.00000 0.00046 -0.00026 0.00000
78 12D-2 -0.00124 0.00000 0.00320 -0.00059 0.00000
79 13F 0 0.00000 -0.00111 0.00000 0.00000 -0.00076
80 13F+1 -0.00003 0.00000 -0.00017 -0.00001 0.00000
81 13F-1 -0.00107 0.00000 0.00007 -0.00041 0.00000
82 13F+2 0.00000 -0.00187 0.00000 0.00000 -0.00128
83 13F-2 0.00000 0.00001 0.00000 0.00000 0.00001
84 13F+3 -0.00005 0.00000 -0.00152 0.00003 0.00000
85 13F-3 -0.00179 0.00000 0.00016 -0.00072 0.00000
86 14F 0 0.00000 -0.00063 0.00000 0.00000 -0.00043
87 14F+1 -0.00008 0.00000 -0.00004 -0.00001 0.00000
88 14F-1 -0.00088 0.00000 0.00028 -0.00041 0.00000
89 14F+2 0.00000 -0.00130 0.00000 0.00000 -0.00089
90 14F-2 0.00000 -0.00006 0.00000 0.00000 -0.00004
91 14F+3 0.00000 0.00000 -0.00099 0.00007 0.00000
92 14F-3 -0.00151 0.00000 0.00019 -0.00066 0.00000
93 3 H 1S -0.01260 0.00000 -0.00042 -0.00865 0.00000
94 2S -0.03136 0.00000 0.00053 -0.01609 0.00000
95 3S -0.01438 0.00000 -0.00725 -0.00363 0.00000
96 4S -0.00072 0.00000 0.00017 -0.00012 0.00000
97 5PX -0.00148 0.00000 0.00012 -0.00087 0.00000
98 5PY 0.00037 0.00000 0.00097 0.00026 0.00000
99 5PZ 0.00000 0.00098 0.00000 0.00000 0.00067
100 6PX -0.00640 0.00000 0.00236 -0.00238 0.00000
101 6PY 0.00343 0.00000 0.00127 0.00101 0.00000
102 6PZ 0.00000 0.00339 0.00000 0.00000 0.00233
103 7PX -0.00322 0.00000 -0.00136 -0.00051 0.00000
104 7PY 0.00226 0.00000 0.00465 0.00015 0.00000
105 7PZ 0.00000 -0.00181 0.00000 0.00000 -0.00124
106 8D 0 0.00027 0.00000 0.00016 0.00011 0.00000
107 8D+1 0.00000 0.00035 0.00000 0.00000 0.00024
108 8D-1 0.00000 -0.00042 0.00000 0.00000 -0.00029
109 8D+2 -0.00069 0.00000 0.00065 -0.00033 0.00000
110 8D-2 0.00075 0.00000 0.00049 0.00030 0.00000
111 9D 0 0.00181 0.00000 -0.00105 0.00073 0.00000
112 9D+1 0.00000 -0.00010 0.00000 0.00000 -0.00007
113 9D-1 0.00000 -0.00030 0.00000 0.00000 -0.00020
114 9D+2 0.00016 0.00000 0.00014 0.00013 0.00000
115 9D-2 0.00103 0.00000 -0.00072 0.00026 0.00000
61 62 63 64 65
61 9PX 0.00080
62 9PY 0.00003 0.00008
63 9PZ 0.00000 0.00000 0.00045
64 10D 0 0.00002 0.00004 0.00000 0.00005
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00023 0.00000 0.00000
67 10D+2 0.00004 0.00007 0.00000 0.00009 0.00000
68 10D-2 0.00026 0.00000 0.00000 0.00000 0.00000
69 11D 0 0.00008 0.00009 0.00000 0.00011 0.00000
70 11D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00066 0.00000 0.00000
72 11D+2 0.00011 0.00016 0.00000 0.00021 0.00000
73 11D-2 0.00070 0.00001 0.00000 0.00000 0.00000
74 12D 0 0.00007 -0.00004 0.00000 -0.00002 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00027 0.00000 0.00000
77 12D+2 0.00004 -0.00007 0.00000 -0.00003 0.00000
78 12D-2 0.00032 0.00003 0.00000 0.00003 0.00000
79 13F 0 0.00000 0.00000 -0.00006 0.00000 0.00000
80 13F+1 -0.00002 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00001 0.00002 0.00000 0.00002 0.00000
82 13F+2 0.00000 0.00000 -0.00011 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 -0.00015 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00002 0.00003 0.00000 0.00004 0.00000
86 14F 0 0.00000 0.00000 -0.00004 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00003 0.00001 0.00000 0.00002 0.00000
89 14F+2 0.00000 0.00000 -0.00007 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 -0.00010 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00002 0.00002 0.00000 0.00003 0.00000
93 3 H 1S -0.00002 0.00008 0.00000 0.00020 0.00000
94 2S 0.00015 0.00050 0.00000 0.00063 0.00000
95 3S -0.00065 0.00040 0.00000 0.00036 0.00000
96 4S 0.00002 0.00003 0.00000 0.00002 0.00000
97 5PX 0.00002 0.00002 0.00000 0.00003 0.00000
98 5PY 0.00010 0.00000 0.00000 -0.00001 0.00000
99 5PZ 0.00000 0.00000 0.00006 0.00000 0.00000
100 6PX 0.00026 0.00018 0.00000 0.00015 0.00000
101 6PY 0.00011 -0.00011 0.00000 -0.00009 0.00000
102 6PZ 0.00000 0.00000 0.00019 0.00000 0.00000
103 7PX -0.00012 0.00010 0.00000 0.00008 0.00000
104 7PY 0.00045 -0.00009 0.00000 -0.00007 0.00000
105 7PZ 0.00000 0.00000 -0.00010 0.00000 0.00000
106 8D 0 0.00001 -0.00001 0.00000 -0.00001 0.00000
107 8D+1 0.00000 0.00000 0.00002 0.00000 0.00000
108 8D-1 0.00000 0.00000 -0.00002 0.00000 0.00000
109 8D+2 0.00007 0.00001 0.00000 0.00001 0.00000
110 8D-2 0.00005 -0.00002 0.00000 -0.00002 0.00000
111 9D 0 -0.00011 -0.00004 0.00000 -0.00004 0.00000
112 9D+1 0.00000 0.00000 -0.00001 0.00000 0.00000
113 9D-1 0.00000 0.00000 -0.00002 0.00000 0.00000
114 9D+2 0.00001 0.00001 0.00000 0.00000 0.00000
115 9D-2 -0.00008 -0.00005 0.00000 -0.00003 0.00000
66 67 68 69 70
66 10D-1 0.00012
67 10D+2 0.00000 0.00017
68 10D-2 0.00000 0.00000 0.00009
69 11D 0 0.00000 0.00020 0.00001 0.00024
70 11D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00034 0.00000 0.00000 0.00000 -0.00002
72 11D+2 0.00000 0.00037 0.00000 0.00044 0.00000
73 11D-2 0.00000 0.00000 0.00024 0.00001 0.00000
74 12D 0 0.00000 -0.00004 0.00002 -0.00004 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00014 0.00000 0.00000 0.00000 -0.00001
77 12D+2 0.00000 -0.00005 0.00001 -0.00007 0.00000
78 12D-2 0.00000 0.00004 0.00011 0.00006 0.00000
79 13F 0 -0.00003 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
81 13F-1 0.00000 0.00004 0.00000 0.00005 0.00000
82 13F+2 -0.00005 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 -0.00005 0.00000 0.00000
85 13F-3 0.00000 0.00007 0.00000 0.00008 0.00000
86 14F 0 -0.00002 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00003 0.00001 0.00004 0.00000
89 14F+2 -0.00004 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 -0.00003 0.00000 0.00000
92 14F-3 0.00000 0.00005 0.00000 0.00006 0.00000
93 3 H 1S 0.00000 0.00036 -0.00038 0.00056 0.00000
94 2S 0.00000 0.00111 -0.00043 0.00148 0.00000
95 3S 0.00000 0.00063 -0.00016 0.00070 0.00000
96 4S 0.00000 0.00004 0.00001 0.00004 0.00000
97 5PX 0.00000 0.00005 -0.00003 0.00007 0.00000
98 5PY 0.00000 -0.00001 0.00005 -0.00002 0.00000
99 5PZ 0.00003 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00027 0.00006 0.00034 0.00000
101 6PY 0.00000 -0.00015 0.00005 -0.00019 0.00000
102 6PZ 0.00010 0.00000 0.00000 0.00000 -0.00001
103 7PX 0.00000 0.00015 0.00000 0.00016 0.00000
104 7PY 0.00000 -0.00012 0.00013 -0.00012 0.00000
105 7PZ -0.00005 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 -0.00001 0.00001 -0.00002 0.00000
107 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000
108 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00003 0.00002 0.00003 0.00000
110 8D-2 0.00000 -0.00003 0.00002 -0.00004 0.00000
111 9D 0 0.00000 -0.00007 -0.00003 -0.00009 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00001 0.00000 0.00000
115 9D-2 0.00000 -0.00005 -0.00003 -0.00007 0.00000
71 72 73 74 75
71 11D-1 0.00096
72 11D+2 0.00000 0.00083
73 11D-2 0.00000 0.00000 0.00064
74 12D 0 0.00000 -0.00008 0.00006 0.00003
75 12D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00039 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00000 -0.00012 0.00004 0.00005 0.00000
78 12D-2 0.00000 0.00010 0.00029 0.00001 0.00000
79 13F 0 -0.00009 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 -0.00002 0.00000 0.00000
81 13F-1 0.00000 0.00009 0.00000 -0.00001 0.00000
82 13F+2 -0.00015 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 -0.00014 -0.00001 0.00000
85 13F-3 0.00000 0.00015 0.00000 -0.00002 0.00000
86 14F 0 -0.00005 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00001 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00007 0.00001 0.00000 0.00000
89 14F+2 -0.00011 0.00000 0.00000 0.00000 0.00000
90 14F-2 -0.00001 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 -0.00009 -0.00001 0.00000
92 14F-3 0.00000 0.00012 0.00000 -0.00001 0.00000
93 3 H 1S 0.00000 0.00109 -0.00095 0.00026 0.00000
94 2S 0.00000 0.00282 -0.00113 0.00007 0.00000
95 3S 0.00000 0.00133 -0.00048 -0.00040 0.00000
96 4S 0.00000 0.00008 0.00003 -0.00002 0.00000
97 5PX 0.00000 0.00013 -0.00007 0.00002 0.00000
98 5PY 0.00000 -0.00004 0.00013 0.00000 0.00000
99 5PZ 0.00008 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00063 0.00014 -0.00007 0.00000
101 6PY 0.00000 -0.00035 0.00013 0.00008 0.00000
102 6PZ 0.00028 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00000 0.00029 -0.00001 -0.00012 0.00000
104 7PY 0.00000 -0.00024 0.00037 0.00012 0.00000
105 7PZ -0.00015 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 -0.00003 0.00002 0.00000 0.00000
107 8D+1 0.00003 0.00000 0.00000 0.00000 0.00000
108 8D-1 -0.00003 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00006 0.00005 0.00000 0.00000
110 8D-2 0.00000 -0.00007 0.00006 0.00001 0.00000
111 9D 0 0.00000 -0.00016 -0.00009 0.00001 0.00000
112 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000
113 9D-1 -0.00002 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00002 0.00000 0.00000
115 9D-2 0.00000 -0.00012 -0.00007 0.00002 0.00000
76 77 78 79 80
76 12D-1 0.00016
77 12D+2 0.00000 0.00008
78 12D-2 0.00000 0.00000 0.00014
79 13F 0 -0.00004 0.00000 0.00000 0.00001
80 13F+1 0.00000 0.00000 -0.00001 0.00000 0.00000
81 13F-1 0.00000 -0.00002 0.00001 0.00000 0.00000
82 13F+2 -0.00006 0.00000 0.00000 0.00001 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 -0.00001 -0.00006 0.00000 0.00000
85 13F-3 0.00000 -0.00002 0.00002 0.00000 0.00000
86 14F 0 -0.00002 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00001 0.00000 0.00000
89 14F+2 -0.00004 0.00000 0.00000 0.00001 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 -0.00001 -0.00004 0.00000 0.00000
92 14F-3 0.00000 -0.00001 0.00001 0.00000 0.00000
93 3 H 1S 0.00000 0.00029 -0.00044 0.00000 0.00007
94 2S 0.00000 -0.00002 -0.00032 0.00000 0.00009
95 3S 0.00000 -0.00051 0.00000 0.00000 0.00000
96 4S 0.00000 -0.00004 0.00003 0.00000 0.00000
97 5PX 0.00000 0.00001 -0.00003 0.00000 0.00001
98 5PY 0.00000 -0.00001 0.00006 0.00000 -0.00001
99 5PZ 0.00003 0.00000 0.00000 -0.00001 0.00000
100 6PX 0.00000 -0.00013 0.00014 0.00000 0.00000
101 6PY 0.00000 0.00011 0.00001 0.00000 0.00000
102 6PZ 0.00011 0.00000 0.00000 -0.00003 0.00000
103 7PX 0.00000 -0.00015 0.00006 0.00000 -0.00001
104 7PY 0.00000 0.00015 0.00012 0.00000 -0.00001
105 7PZ -0.00006 0.00000 0.00000 0.00001 0.00000
106 8D 0 0.00000 0.00001 0.00001 0.00000 0.00000
107 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000
108 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00003 0.00000 0.00000
110 8D-2 0.00000 0.00001 0.00002 0.00000 0.00000
111 9D 0 0.00000 0.00003 -0.00006 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 -0.00001 0.00001 0.00000 0.00000
115 9D-2 0.00000 0.00004 -0.00005 0.00000 0.00000
81 82 83 84 85
81 13F-1 0.00001
82 13F+2 0.00000 0.00002
83 13F-2 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00003
85 13F-3 0.00002 0.00000 0.00000 0.00000 0.00003
86 14F 0 0.00000 0.00001 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00001 0.00000 0.00000 0.00000 0.00001
89 14F+2 0.00000 0.00002 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00002 0.00000
92 14F-3 0.00001 0.00000 0.00000 0.00000 0.00002
93 3 H 1S 0.00007 0.00000 0.00000 0.00024 0.00016
94 2S 0.00026 0.00000 0.00000 0.00029 0.00047
95 3S 0.00018 0.00000 0.00000 0.00010 0.00026
96 4S 0.00001 0.00000 0.00000 -0.00001 0.00002
97 5PX 0.00001 0.00000 0.00000 0.00002 0.00002
98 5PY 0.00000 0.00000 0.00000 -0.00003 -0.00001
99 5PZ 0.00000 -0.00001 0.00000 0.00000 0.00000
100 6PX 0.00007 0.00000 0.00000 -0.00003 0.00012
101 6PY -0.00004 0.00000 0.00000 -0.00003 -0.00007
102 6PZ 0.00000 -0.00005 0.00000 0.00000 0.00000
103 7PX 0.00004 0.00000 0.00000 0.00000 0.00006
104 7PY -0.00004 0.00000 0.00000 -0.00008 -0.00005
105 7PZ 0.00000 0.00002 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 -0.00001 -0.00001
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00001 0.00000 0.00000 0.00000
109 8D+2 0.00001 0.00000 0.00000 -0.00001 0.00001
110 8D-2 -0.00001 0.00000 0.00000 -0.00001 -0.00001
111 9D 0 -0.00002 0.00000 0.00000 0.00002 -0.00003
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 -0.00002 0.00000 0.00000 0.00001 -0.00002
86 87 88 89 90
86 14F 0 0.00000
87 14F+1 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00001
89 14F+2 0.00001 0.00000 0.00000 0.00001
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00001 0.00000 0.00000
93 3 H 1S 0.00000 -0.00011 0.00026 0.00000 0.00000
94 2S 0.00000 -0.00011 0.00042 0.00000 0.00000
95 3S 0.00000 0.00006 0.00002 0.00000 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 -0.00001 0.00002 0.00000 0.00000
98 5PY 0.00000 0.00001 -0.00001 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
100 6PX 0.00000 0.00000 0.00006 0.00000 0.00000
101 6PY 0.00000 -0.00001 -0.00002 0.00000 0.00000
102 6PZ -0.00002 0.00000 0.00000 -0.00003 0.00000
103 7PX 0.00000 0.00002 -0.00001 0.00000 0.00000
104 7PY 0.00000 -0.00002 0.00001 0.00000 0.00000
105 7PZ 0.00001 0.00000 0.00000 0.00002 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00001 0.00000 0.00000
110 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
111 9D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
91 92 93 94 95
91 14F+3 0.00001
92 14F-3 0.00000 0.00002
93 3 H 1S 0.00001 0.00033 0.02982
94 2S 0.00003 0.00061 0.03600 0.04660
95 3S 0.00012 0.00012 -0.00752 -0.00571 0.00648
96 4S 0.00000 0.00001 -0.00066 -0.00057 0.00040
97 5PX 0.00000 0.00003 0.00244 0.00303 -0.00053
98 5PY -0.00001 -0.00001 -0.00148 -0.00177 0.00029
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX -0.00002 0.00009 0.00122 0.00271 0.00080
101 6PY -0.00002 -0.00005 -0.00018 -0.00099 -0.00093
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00003 0.00001 -0.00430 -0.00427 0.00227
104 7PY -0.00007 -0.00002 0.00184 0.00151 -0.00176
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 -0.00001 -0.00031 -0.00043 0.00001
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 -0.00001 0.00001 0.00030 0.00046 -0.00004
110 8D-2 -0.00001 -0.00001 -0.00058 -0.00082 -0.00004
111 9D 0 0.00001 -0.00002 0.00008 -0.00021 -0.00025
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 -0.00016 -0.00016 0.00005
115 9D-2 0.00001 -0.00002 0.00027 0.00003 -0.00031
96 97 98 99 100
96 4S 0.00003
97 5PX -0.00005 0.00020
98 5PY 0.00003 -0.00012 0.00009
99 5PZ 0.00000 0.00000 0.00000 0.00001
100 6PX 0.00007 0.00014 -0.00003 0.00000 0.00060
101 6PY -0.00005 -0.00003 0.00002 0.00000 -0.00028
102 6PZ 0.00000 0.00000 0.00000 0.00002 0.00000
103 7PX 0.00016 -0.00033 0.00020 0.00000 0.00014
104 7PY -0.00009 0.00014 -0.00004 0.00000 -0.00009
105 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00000
106 8D 0 0.00000 -0.00003 0.00002 0.00000 -0.00003
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00003 -0.00001 0.00000 0.00007
110 8D-2 0.00000 -0.00005 0.00003 0.00000 -0.00006
111 9D 0 -0.00002 0.00000 -0.00002 0.00000 -0.00014
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00001 -0.00001 0.00001 0.00000 0.00001
115 9D-2 -0.00003 0.00001 -0.00002 0.00000 -0.00013
101 102 103 104 105
101 6PY 0.00022
102 6PZ 0.00000 0.00008
103 7PX -0.00023 0.00000 0.00093
104 7PY 0.00026 0.00000 -0.00058 0.00059
105 7PZ 0.00000 -0.00004 0.00000 0.00000 0.00002
106 8D 0 0.00002 0.00000 0.00003 0.00000 0.00000
107 8D+1 0.00000 0.00001 0.00000 0.00000 0.00000
108 8D-1 0.00000 -0.00001 0.00000 0.00000 0.00001
109 8D+2 -0.00001 0.00000 -0.00003 0.00004 0.00000
110 8D-2 0.00004 0.00000 0.00004 0.00002 0.00000
111 9D 0 0.00005 0.00000 -0.00008 0.00001 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 -0.00001 0.00000 0.00000 0.00000
114 9D+2 -0.00001 0.00000 0.00003 -0.00001 0.00000
115 9D-2 0.00006 0.00000 -0.00011 0.00005 0.00000
106 107 108 109 110
106 8D 0 0.00000
107 8D+1 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00001
110 8D-2 0.00001 0.00000 0.00000 -0.00001 0.00002
111 9D 0 0.00000 0.00000 0.00000 -0.00002 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
111 112 113 114 115
111 9D 0 0.00004
112 9D+1 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00004 0.00000 0.00000 -0.00001 0.00004
Full Mulliken population analysis:
1 2 3 4 5
1 1 C 1S 1.98871
2 2S -0.02026 0.46243
3 3S 0.01993 0.08239 0.02887
4 4S -0.01568 0.28991 0.04450 0.31322
5 5S -0.00027 0.01217 0.00163 0.01743 0.00174
6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
28 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
31 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
47 2 O 1S 0.00000 -0.00066 -0.00002 0.00025 -0.00002
48 2S -0.00055 0.00955 0.00063 -0.00811 0.00080
49 3S -0.00001 0.00066 0.00000 -0.00162 0.00009
50 4S 0.00173 -0.04204 -0.00660 -0.03707 -0.00064
51 5S 0.00009 -0.00647 -0.00094 0.00489 0.00039
52 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
53 6PY -0.00008 0.01363 0.00179 0.00122 0.00002
54 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
55 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
56 7PY -0.00450 0.05696 0.01106 0.00556 0.00010
57 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
58 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
59 8PY -0.00351 0.02910 0.00562 -0.00294 -0.00011
60 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
61 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
62 9PY 0.00000 -0.00097 -0.00013 0.00016 -0.00001
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
64 10D 0 0.00000 0.00011 0.00003 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 -0.00001 0.00035 0.00010 0.00002 0.00000
68 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
69 11D 0 -0.00026 0.00088 0.00030 0.00003 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 -0.00087 0.00300 0.00103 0.00017 0.00000
73 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
74 12D 0 0.00003 -0.00064 -0.00016 -0.00015 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00005 -0.00137 -0.00033 -0.00027 0.00000
78 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 -0.00002 0.00004 0.00003 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 -0.00003 0.00009 0.00007 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 -0.00011 0.00002 0.00001 -0.00001 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 -0.00025 0.00013 0.00007 -0.00001 0.00000
93 3 H 1S -0.00023 0.01797 0.00155 0.01798 0.00058
94 2S -0.00157 0.02570 0.00298 0.03342 0.00062
95 3S 0.00151 -0.05208 -0.00745 -0.06265 -0.00494
96 4S 0.00002 -0.00156 -0.00020 -0.00196 -0.00023
97 5PX -0.00005 0.00133 0.00022 0.00065 0.00001
98 5PY -0.00002 0.00042 0.00006 0.00015 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00014 -0.00122 -0.00020 0.00189 0.00003
101 6PY 0.00027 -0.00252 -0.00052 -0.00072 -0.00002
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00048 -0.01116 -0.00174 -0.00796 -0.00024
104 7PY 0.00023 -0.00536 -0.00086 -0.00420 -0.00011
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 -0.00002 0.00004 0.00001 0.00001 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 -0.00001 0.00004 0.00002 0.00002 0.00000
110 8D-2 -0.00004 0.00004 0.00000 0.00002 0.00000
111 9D 0 0.00009 -0.00051 -0.00013 0.00002 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00004 0.00002 0.00004 0.00000
115 9D-2 0.00018 -0.00087 -0.00021 -0.00004 0.00000
6 7 8 9 10
6 6PX 0.11090
7 6PY 0.00000 0.13155
8 6PZ 0.00000 0.00000 0.05486
9 7PX 0.09230 0.00000 0.00000 0.20813
10 7PY 0.00000 0.08904 0.00000 0.00000 0.16423
11 7PZ 0.00000 0.00000 0.04361 0.00000 0.00000
12 8PX 0.01541 0.00000 0.00000 0.06676 0.00000
13 8PY 0.00000 0.01113 0.00000 0.00000 0.04123
14 8PZ 0.00000 0.00000 0.00705 0.00000 0.00000
15 9PX 0.00026 0.00000 0.00000 0.00165 0.00000
16 9PY 0.00000 0.00002 0.00000 0.00000 0.00015
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
28 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
31 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
47 2 O 1S 0.00000 -0.00024 0.00000 0.00000 -0.00168
48 2S 0.00000 0.01248 0.00000 0.00000 0.02649
49 3S 0.00000 0.00122 0.00000 0.00000 0.00419
50 4S 0.00000 -0.00131 0.00000 0.00000 -0.00960
51 5S 0.00000 -0.00144 0.00000 0.00000 -0.00597
52 6PX 0.00057 0.00000 0.00000 0.00340 0.00000
53 6PY 0.00000 0.01040 0.00000 0.00000 0.02067
54 6PZ 0.00000 0.00000 0.00120 0.00000 0.00000
55 7PX 0.00507 0.00000 0.00000 0.01591 0.00000
56 7PY 0.00000 0.04558 0.00000 0.00000 0.06024
57 7PZ 0.00000 0.00000 0.01084 0.00000 0.00000
58 8PX 0.00522 0.00000 0.00000 0.01506 0.00000
59 8PY 0.00000 0.00841 0.00000 0.00000 0.01215
60 8PZ 0.00000 0.00000 0.01330 0.00000 0.00000
61 9PX -0.00027 0.00000 0.00000 -0.00195 0.00000
62 9PY 0.00000 0.00010 0.00000 0.00000 0.00040
63 9PZ 0.00000 0.00000 0.00055 0.00000 0.00000
64 10D 0 0.00000 0.00018 0.00000 0.00000 0.00009
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00012 0.00000 0.00000
67 10D+2 0.00000 0.00053 0.00000 0.00000 0.00026
68 10D-2 0.00012 0.00000 0.00000 0.00034 0.00000
69 11D 0 0.00000 0.00100 0.00000 0.00000 0.00028
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00236 0.00000 0.00000
72 11D+2 0.00000 0.00317 0.00000 0.00000 0.00087
73 11D-2 0.00216 0.00000 0.00000 0.00449 0.00000
74 12D 0 0.00000 0.00001 0.00000 0.00000 0.00009
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00116 0.00000 0.00000
77 12D+2 0.00000 0.00004 0.00000 0.00000 0.00025
78 12D-2 0.00171 0.00000 0.00000 0.00517 0.00000
79 13F 0 0.00000 0.00000 0.00008 0.00000 0.00000
80 13F+1 0.00001 0.00000 0.00000 0.00001 0.00000
81 13F-1 0.00000 0.00016 0.00000 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00017 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00025 0.00000 0.00000 0.00027 0.00000
85 13F-3 0.00000 0.00033 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00013 0.00000 0.00000
87 14F+1 -0.00001 0.00000 0.00000 -0.00001 0.00000
88 14F-1 0.00000 0.00007 0.00000 0.00000 -0.00012
89 14F+2 0.00000 0.00000 0.00036 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00047 0.00000 0.00000 0.00059 0.00000
92 14F-3 0.00000 0.00015 0.00000 0.00000 -0.00024
93 3 H 1S 0.00580 0.00293 0.00000 0.02703 0.01164
94 2S 0.01381 0.00756 0.00000 0.04988 0.02221
95 3S 0.00189 -0.00050 0.00000 0.00850 -0.00311
96 4S -0.00001 0.00000 0.00000 -0.00004 -0.00001
97 5PX 0.00041 0.00062 0.00000 0.00053 0.00117
98 5PY 0.00048 0.00007 0.00000 0.00105 -0.00005
99 5PZ 0.00000 0.00000 0.00004 0.00000 0.00000
100 6PX -0.00068 0.00253 0.00000 -0.00070 0.00456
101 6PY 0.00034 -0.00011 0.00000 0.00045 -0.00078
102 6PZ 0.00000 0.00000 0.00047 0.00000 0.00000
103 7PX 0.00031 -0.00007 0.00000 0.00199 -0.00042
104 7PY 0.00010 0.00004 0.00000 0.00021 0.00048
105 7PZ 0.00000 0.00000 -0.00019 0.00000 0.00000
106 8D 0 0.00007 0.00007 0.00000 0.00002 0.00002
107 8D+1 0.00000 0.00000 0.00004 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00003 0.00000 0.00000
109 8D+2 0.00000 0.00027 0.00000 0.00009 0.00034
110 8D-2 0.00032 0.00013 0.00000 0.00017 -0.00007
111 9D 0 0.00001 -0.00001 0.00000 0.00024 -0.00016
112 9D+1 0.00000 0.00000 -0.00002 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00004 0.00000 0.00000
114 9D+2 0.00019 0.00007 0.00000 0.00065 0.00014
115 9D-2 -0.00009 -0.00019 0.00000 0.00006 -0.00051
11 12 13 14 15
11 7PZ 0.09267
12 8PX 0.00000 0.05891
13 8PY 0.00000 0.00000 0.03145
14 8PZ 0.02786 0.00000 0.00000 0.01841
15 9PX 0.00000 0.00366 0.00000 0.00000 0.00080
16 9PY 0.00000 0.00000 0.00043 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
19 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
23 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
28 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
31 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
47 2 O 1S 0.00000 0.00000 0.00025 0.00000 0.00000
48 2S 0.00000 0.00000 -0.00300 0.00000 0.00000
49 3S 0.00000 0.00000 -0.00050 0.00000 0.00000
50 4S 0.00000 0.00000 -0.00596 0.00000 0.00000
51 5S 0.00000 0.00000 -0.00410 0.00000 0.00000
52 6PX 0.00000 -0.00169 0.00000 0.00000 -0.00020
53 6PY 0.00000 0.00000 0.00025 0.00000 0.00000
54 6PZ 0.00883 0.00000 0.00000 0.00345 0.00000
55 7PX 0.00000 -0.00857 0.00000 0.00000 -0.00114
56 7PY 0.00000 0.00000 0.00020 0.00000 0.00000
57 7PZ 0.04180 0.00000 0.00000 0.01792 0.00000
58 8PX 0.00000 -0.01900 0.00000 0.00000 -0.00307
59 8PY 0.00000 0.00000 -0.00330 0.00000 0.00000
60 8PZ 0.05072 0.00000 0.00000 0.03052 0.00000
61 9PX 0.00000 -0.00655 0.00000 0.00000 -0.00136
62 9PY 0.00000 0.00000 0.00016 0.00000 0.00000
63 9PZ 0.00273 0.00000 0.00000 0.00287 0.00000
64 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00036 0.00000 0.00000 0.00005 0.00000
67 10D+2 0.00000 0.00000 -0.00001 0.00000 0.00000
68 10D-2 0.00000 0.00003 0.00000 0.00000 0.00000
69 11D 0 0.00000 0.00000 -0.00006 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00497 0.00000 0.00000 0.00092 0.00000
72 11D+2 0.00000 0.00000 -0.00018 0.00000 0.00000
73 11D-2 0.00000 0.00046 0.00000 0.00000 0.00000
74 12D 0 0.00000 0.00000 -0.00004 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00330 0.00000 0.00000 0.00112 0.00000
77 12D+2 0.00000 0.00000 -0.00009 0.00000 0.00000
78 12D-2 0.00000 0.00151 0.00000 0.00000 0.00002
79 13F 0 0.00008 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
82 13F+2 0.00018 0.00000 0.00000 0.00001 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00001 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00017 0.00000 0.00000 0.00002 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 -0.00002 0.00000 0.00000
89 14F+2 0.00047 0.00000 0.00000 0.00004 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00003 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 -0.00003 0.00000 0.00000
93 3 H 1S 0.00000 0.01383 0.00474 0.00000 0.00031
94 2S 0.00000 0.03431 0.00918 0.00000 0.00117
95 3S 0.00000 0.00795 -0.00605 0.00000 0.00095
96 4S 0.00000 -0.00006 -0.00007 0.00000 0.00001
97 5PX 0.00000 -0.00009 0.00017 0.00000 0.00000
98 5PY 0.00000 0.00016 -0.00008 0.00000 0.00000
99 5PZ 0.00017 0.00000 0.00000 0.00006 0.00000
100 6PX 0.00000 0.00071 0.00067 0.00000 0.00007
101 6PY 0.00000 0.00000 0.00004 0.00000 0.00000
102 6PZ 0.00162 0.00000 0.00000 0.00076 0.00000
103 7PX 0.00000 0.00341 -0.00072 0.00000 0.00026
104 7PY 0.00000 -0.00037 0.00209 0.00000 -0.00002
105 7PZ -0.00086 0.00000 0.00000 -0.00071 0.00000
106 8D 0 0.00000 -0.00001 0.00000 0.00000 0.00000
107 8D+1 0.00008 0.00000 0.00000 0.00001 0.00000
108 8D-1 0.00006 0.00000 0.00000 0.00001 0.00000
109 8D+2 0.00000 0.00001 0.00004 0.00000 0.00000
110 8D-2 0.00000 -0.00001 -0.00002 0.00000 0.00000
111 9D 0 0.00000 0.00012 -0.00005 0.00000 0.00000
112 9D+1 -0.00006 0.00000 0.00000 -0.00002 0.00000
113 9D-1 0.00012 0.00000 0.00000 0.00003 0.00000
114 9D+2 0.00000 0.00029 0.00004 0.00000 0.00001
115 9D-2 0.00000 0.00015 -0.00006 0.00000 0.00000
16 17 18 19 20
16 9PY 0.00003
17 9PZ 0.00000 0.00000
18 10D 0 0.00000 0.00000 0.00046
19 10D+1 0.00000 0.00000 0.00000 0.00000
20 10D-1 0.00000 0.00000 0.00000 0.00000 0.00114
21 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
22 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
23 11D 0 0.00000 0.00000 0.00035 0.00000 0.00000
24 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00093
26 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
27 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
28 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00001
31 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
32 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
47 2 O 1S 0.00002 0.00000 -0.00004 0.00000 0.00000
48 2S -0.00039 0.00000 0.00071 0.00000 0.00000
49 3S -0.00005 0.00000 0.00013 0.00000 0.00000
50 4S -0.00030 0.00000 0.00000 0.00000 0.00000
51 5S -0.00003 0.00000 -0.00001 0.00000 0.00000
52 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
53 6PY 0.00000 0.00000 0.00060 0.00000 0.00000
54 6PZ 0.00000 0.00000 0.00000 0.00000 0.00081
55 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
56 7PY 0.00001 0.00000 0.00108 0.00000 0.00000
57 7PZ 0.00000 0.00000 0.00000 0.00000 0.00367
58 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
59 8PY -0.00006 0.00000 -0.00003 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 0.00000 0.00181
61 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
62 9PY -0.00002 0.00000 0.00000 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00002
64 10D 0 0.00000 0.00000 0.00001 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00007
67 10D+2 0.00000 0.00000 0.00002 0.00000 0.00000
68 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
69 11D 0 0.00000 0.00000 0.00005 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00053
72 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
73 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
74 12D 0 0.00000 0.00000 -0.00001 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00007
77 12D+2 0.00000 0.00000 0.00002 0.00000 0.00000
78 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00002
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00001 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00005
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00001
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00001 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00004
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 -0.00001 0.00000 0.00000
93 3 H 1S 0.00005 0.00000 0.00022 0.00000 0.00000
94 2S 0.00010 0.00000 0.00009 0.00000 0.00000
95 3S -0.00015 0.00000 -0.00001 0.00000 0.00000
96 4S -0.00001 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 0.00000 0.00001 0.00000 0.00000
98 5PY 0.00000 0.00000 0.00001 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00001
100 6PX 0.00000 0.00000 -0.00002 0.00000 0.00000
101 6PY 0.00001 0.00000 -0.00001 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00006
103 7PX -0.00001 0.00000 0.00001 0.00000 0.00000
104 7PY 0.00008 0.00000 0.00000 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00000 -0.00002 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00002 0.00000 0.00000
21 22 23 24 25
21 10D+2 0.00132
22 10D-2 0.00000 0.00196
23 11D 0 0.00000 0.00000 0.00113
24 11D+1 0.00000 0.00000 0.00000 0.00001
25 11D-1 0.00000 0.00000 0.00000 0.00000 0.00269
26 11D+2 0.00047 0.00000 0.00000 0.00000 0.00000
27 11D-2 0.00000 0.00220 0.00000 0.00000 0.00000
28 12D 0 0.00000 0.00000 0.00006 0.00000 0.00000
29 12D+1 0.00000 0.00000 0.00000 0.00001 0.00000
30 12D-1 0.00000 0.00000 0.00000 0.00000 -0.00005
31 12D+2 -0.00004 0.00000 0.00000 0.00000 0.00000
32 12D-2 0.00000 0.00020 0.00000 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
47 2 O 1S -0.00012 0.00000 -0.00013 0.00000 0.00000
48 2S 0.00231 0.00000 0.00158 0.00000 0.00000
49 3S 0.00043 0.00000 0.00032 0.00000 0.00000
50 4S 0.00009 0.00000 -0.00022 0.00000 0.00000
51 5S -0.00002 0.00000 -0.00004 0.00000 0.00000
52 6PX 0.00000 0.00109 0.00000 0.00000 0.00000
53 6PY 0.00201 0.00000 0.00029 0.00000 0.00000
54 6PZ 0.00000 0.00000 0.00000 0.00000 0.00358
55 7PX 0.00000 0.00485 0.00000 0.00000 0.00000
56 7PY 0.00363 0.00000 0.00023 0.00000 0.00000
57 7PZ 0.00000 0.00000 0.00000 0.00000 0.01319
58 8PX 0.00000 0.00258 0.00000 0.00000 0.00000
59 8PY -0.00010 0.00000 -0.00031 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 0.00000 0.00965
61 9PX 0.00000 0.00006 0.00000 0.00000 0.00000
62 9PY 0.00001 0.00000 0.00002 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00022
64 10D 0 0.00002 0.00000 0.00001 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00008
67 10D+2 0.00009 0.00000 -0.00001 0.00000 0.00000
68 10D-2 0.00000 0.00004 0.00000 0.00000 0.00000
69 11D 0 0.00000 0.00000 0.00009 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00071
72 11D+2 0.00017 0.00000 -0.00013 0.00000 0.00000
73 11D-2 0.00000 0.00030 0.00000 0.00000 0.00000
74 12D 0 0.00001 0.00000 -0.00008 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00012
77 12D+2 0.00000 0.00000 0.00007 0.00000 0.00000
78 12D-2 0.00000 0.00002 0.00000 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00001
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00001 0.00000 0.00001 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00001
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00005 0.00000 0.00000 0.00000
85 13F-3 0.00003 0.00000 -0.00001 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 -0.00001 0.00000 0.00001 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00003 0.00000 0.00000 0.00000
92 14F-3 0.00002 0.00000 -0.00002 0.00000 0.00000
93 3 H 1S 0.00024 0.00113 0.00139 0.00000 0.00000
94 2S 0.00031 0.00109 0.00116 0.00000 0.00000
95 3S 0.00001 0.00002 -0.00012 0.00000 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 0.00008 0.00001 0.00000 0.00000
98 5PY 0.00003 0.00002 0.00001 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00003
100 6PX -0.00012 0.00000 0.00004 0.00000 0.00000
101 6PY 0.00012 0.00001 0.00002 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 0.00002 -0.00022
103 7PX -0.00001 0.00002 0.00012 0.00000 0.00000
104 7PY 0.00001 0.00004 0.00004 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 -0.00001 0.00006
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 -0.00001
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 -0.00003 0.00002 0.00000 0.00000 0.00000
110 8D-2 0.00003 0.00000 0.00000 0.00000 0.00000
111 9D 0 -0.00001 -0.00001 -0.00009 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00002
114 9D+2 0.00000 0.00000 0.00001 0.00000 0.00000
115 9D-2 0.00001 0.00000 0.00006 0.00000 0.00000
26 27 28 29 30
26 11D+2 0.00075
27 11D-2 0.00000 0.01022
28 12D 0 0.00000 0.00000 0.00017
29 12D+1 0.00000 0.00000 0.00000 0.00003
30 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
31 12D+2 -0.00005 0.00000 0.00000 0.00000 0.00000
32 12D-2 0.00000 0.00277 0.00000 0.00000 0.00000
33 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
34 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
47 2 O 1S -0.00005 0.00000 0.00004 0.00000 0.00000
48 2S 0.00299 0.00000 -0.00056 0.00000 0.00000
49 3S 0.00067 0.00000 -0.00009 0.00000 0.00000
50 4S 0.00025 0.00000 -0.00024 0.00000 0.00000
51 5S -0.00009 0.00000 0.00004 0.00000 0.00000
52 6PX 0.00000 0.00545 0.00000 0.00000 0.00000
53 6PY 0.00050 0.00000 0.00006 0.00000 0.00000
54 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00005
55 7PX 0.00000 0.01972 0.00000 0.00000 0.00000
56 7PY 0.00040 0.00000 0.00028 0.00000 0.00000
57 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00026
58 8PX 0.00000 0.01599 0.00000 0.00000 0.00000
59 8PY -0.00078 0.00000 0.00031 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00037
61 9PX 0.00000 0.00076 0.00000 0.00000 0.00000
62 9PY 0.00002 0.00000 -0.00001 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00002
64 10D 0 -0.00001 0.00000 0.00000 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
68 10D-2 0.00000 0.00003 0.00000 0.00000 0.00000
69 11D 0 -0.00007 0.00000 -0.00002 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00000 0.00000 0.00002 0.00000 0.00000
73 11D-2 0.00000 0.00021 0.00000 0.00000 0.00000
74 12D 0 0.00001 0.00000 0.00000 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00001
77 12D+2 -0.00001 0.00000 -0.00001 0.00000 0.00000
78 12D-2 0.00000 -0.00006 0.00000 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00001 0.00000 0.00000 0.00000
85 13F-3 0.00001 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 -0.00001 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00003 0.00000 0.00000 0.00000 0.00000
93 3 H 1S 0.00080 0.00712 0.00032 0.00000 0.00000
94 2S 0.00104 0.00835 0.00069 0.00000 0.00000
95 3S 0.00001 0.00030 -0.00002 0.00000 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX -0.00007 0.00011 -0.00001 0.00000 0.00000
98 5PY 0.00006 -0.00005 0.00000 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX -0.00025 -0.00003 -0.00004 0.00000 0.00000
101 6PY 0.00015 0.00014 -0.00001 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 0.00003 0.00001
103 7PX 0.00007 0.00027 0.00006 0.00000 0.00000
104 7PY -0.00001 0.00041 0.00001 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 -0.00002 0.00000
106 8D 0 0.00000 -0.00001 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 -0.00002 0.00001 0.00000 0.00000 0.00000
110 8D-2 0.00001 0.00000 0.00000 0.00000 0.00000
111 9D 0 -0.00001 0.00004 0.00001 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 -0.00002 0.00000 0.00000 0.00000
115 9D-2 0.00001 -0.00002 0.00000 0.00000 0.00000
31 32 33 34 35
31 12D+2 0.00044
32 12D-2 0.00000 0.00301
33 13F 0 0.00000 0.00000 0.00004
34 13F+1 0.00000 0.00000 0.00000 0.00002
35 13F-1 0.00000 0.00000 0.00000 0.00000 0.00004
36 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
39 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
40 14F 0 0.00000 0.00000 0.00001 0.00000 0.00000
41 14F+1 0.00000 0.00000 0.00000 0.00001 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 -0.00001
43 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
47 2 O 1S 0.00012 0.00000 0.00000 0.00000 -0.00003
48 2S -0.00182 0.00000 0.00000 0.00000 0.00018
49 3S -0.00031 0.00000 0.00000 0.00000 0.00005
50 4S -0.00083 0.00000 0.00000 0.00000 -0.00002
51 5S 0.00001 0.00000 0.00000 0.00000 0.00000
52 6PX 0.00000 0.00050 0.00000 0.00004 0.00000
53 6PY 0.00008 0.00000 0.00000 0.00000 0.00034
54 6PZ 0.00000 0.00000 0.00033 0.00000 0.00000
55 7PX 0.00000 0.00237 0.00000 0.00010 0.00000
56 7PY 0.00038 0.00000 0.00000 0.00000 0.00018
57 7PZ 0.00000 0.00000 0.00079 0.00000 0.00000
58 8PX 0.00000 0.00428 0.00000 0.00002 0.00000
59 8PY 0.00004 0.00000 0.00000 0.00000 -0.00005
60 8PZ 0.00000 0.00000 0.00019 0.00000 0.00000
61 9PX 0.00000 0.00084 0.00000 0.00000 0.00000
62 9PY -0.00005 0.00000 0.00000 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
64 10D 0 0.00000 0.00000 0.00000 0.00000 0.00001
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00001 0.00000 0.00000
67 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
68 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
69 11D 0 0.00001 0.00000 0.00000 0.00000 0.00003
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00005 0.00000 0.00000
72 11D+2 -0.00002 0.00000 0.00000 0.00000 -0.00003
73 11D-2 0.00000 0.00002 0.00000 0.00001 0.00000
74 12D 0 -0.00003 0.00000 0.00000 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00005 0.00000 0.00000 0.00000 0.00000
78 12D-2 0.00000 0.00012 0.00000 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00001
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00000 0.00000 0.00001
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00001 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
93 3 H 1S 0.00010 0.00210 0.00000 0.00013 0.00007
94 2S 0.00015 0.00453 0.00000 0.00004 0.00004
95 3S -0.00004 0.00062 0.00000 0.00000 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 -0.00002 0.00000 0.00000 0.00001
98 5PY 0.00000 -0.00006 0.00000 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00001 0.00000 0.00000
100 6PX 0.00010 0.00008 0.00000 0.00000 0.00000
101 6PY -0.00009 -0.00001 0.00000 0.00000 -0.00001
102 6PZ 0.00000 0.00000 0.00001 0.00000 0.00000
103 7PX 0.00022 0.00034 0.00000 0.00000 0.00000
104 7PY -0.00021 0.00021 0.00000 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 0.00001 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00003 0.00000 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 -0.00006 0.00000 0.00000 0.00000
36 37 38 39 40
36 13F+2 0.00009
37 13F-2 0.00000 0.00000
38 13F+3 0.00000 0.00000 0.00017
39 13F-3 0.00000 0.00000 0.00000 0.00025
40 14F 0 0.00000 0.00000 0.00000 0.00000 0.00001
41 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
42 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
43 14F+2 0.00003 0.00000 0.00000 0.00000 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00007 0.00000 0.00000
46 14F-3 0.00000 0.00000 0.00000 -0.00001 0.00000
47 2 O 1S 0.00000 0.00000 0.00000 -0.00017 0.00000
48 2S 0.00000 0.00000 0.00000 0.00074 0.00000
49 3S 0.00000 0.00000 0.00000 0.00023 0.00000
50 4S 0.00000 0.00000 0.00000 -0.00005 0.00000
51 5S 0.00000 0.00000 0.00000 0.00000 0.00000
52 6PX 0.00000 0.00000 0.00116 0.00000 0.00000
53 6PY 0.00000 0.00000 0.00000 0.00095 0.00000
54 6PZ 0.00062 0.00000 0.00000 0.00000 0.00015
55 7PX 0.00000 0.00000 0.00272 0.00000 0.00000
56 7PY 0.00000 0.00000 0.00000 0.00050 0.00000
57 7PZ 0.00147 0.00000 0.00000 0.00000 0.00048
58 8PX 0.00000 0.00000 0.00067 0.00000 0.00000
59 8PY 0.00000 0.00000 0.00000 -0.00013 0.00000
60 8PZ 0.00035 0.00000 0.00000 0.00000 0.00023
61 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
62 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
64 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00003 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00000 0.00000 0.00000 0.00003 0.00000
68 10D-2 0.00000 0.00000 0.00004 0.00000 0.00000
69 11D 0 0.00000 0.00000 0.00000 -0.00005 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00010 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00000 0.00000 0.00000 0.00006 0.00000
73 11D-2 0.00000 0.00000 0.00012 0.00000 0.00000
74 12D 0 0.00000 0.00000 0.00000 0.00001 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 -0.00001 0.00000 0.00000 0.00000 -0.00001
77 12D+2 0.00000 0.00000 0.00000 -0.00001 0.00000
78 12D-2 0.00000 0.00000 -0.00001 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 -0.00001 0.00000
82 13F+2 0.00001 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00002 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00002 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00002 0.00000
93 3 H 1S 0.00000 0.00000 0.00001 0.00025 0.00000
94 2S 0.00000 0.00000 0.00000 0.00000 0.00000
95 3S 0.00000 0.00000 0.00000 -0.00001 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 0.00000 0.00001 0.00000 0.00000
98 5PY 0.00000 0.00000 -0.00002 0.00001 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00000 -0.00001 0.00004 0.00000
101 6PY 0.00000 0.00000 -0.00002 0.00000 0.00000
102 6PZ -0.00001 0.00000 0.00000 0.00000 0.00001
103 7PX 0.00000 0.00000 0.00000 0.00001 0.00000
104 7PY 0.00000 0.00000 -0.00001 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 -0.00001 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
41 42 43 44 45
41 14F+1 0.00002
42 14F-1 0.00000 0.00004
43 14F+2 0.00000 0.00000 0.00004
44 14F-2 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00000 0.00000 0.00000 0.00000 0.00019
46 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
47 2 O 1S 0.00000 0.00007 0.00000 0.00000 0.00000
48 2S 0.00000 -0.00014 0.00000 0.00000 0.00000
49 3S 0.00000 -0.00002 0.00000 0.00000 0.00000
50 4S 0.00000 0.00009 0.00000 0.00000 0.00000
51 5S 0.00000 0.00000 0.00000 0.00000 0.00000
52 6PX 0.00001 0.00000 0.00000 0.00000 0.00106
53 6PY 0.00000 0.00006 0.00000 0.00000 0.00000
54 6PZ 0.00000 0.00000 0.00044 0.00000 0.00000
55 7PX 0.00003 0.00000 0.00000 0.00000 0.00322
56 7PY 0.00000 0.00033 0.00000 0.00000 0.00000
57 7PZ 0.00000 0.00000 0.00136 0.00000 0.00000
58 8PX 0.00002 0.00000 0.00000 0.00000 0.00172
59 8PY 0.00000 0.00015 0.00000 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00067 0.00000 0.00000
61 9PX 0.00000 0.00000 0.00000 0.00000 0.00004
62 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00001 0.00000 0.00000
64 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
68 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
69 11D 0 0.00000 -0.00004 0.00000 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 -0.00001 0.00000 0.00000
72 11D+2 0.00000 0.00003 0.00000 0.00000 0.00000
73 11D-2 0.00000 0.00000 0.00000 0.00000 -0.00001
74 12D 0 0.00000 0.00002 0.00000 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 -0.00003 0.00000 0.00000
77 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
78 12D-2 0.00000 0.00000 0.00000 0.00000 0.00001
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
93 3 H 1S 0.00014 0.00009 0.00000 0.00000 -0.00010
94 2S 0.00008 0.00004 0.00000 0.00000 -0.00009
95 3S -0.00001 -0.00001 0.00000 0.00000 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX -0.00001 0.00000 0.00000 0.00000 -0.00001
98 5PY 0.00000 0.00000 0.00000 0.00000 0.00001
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00000 0.00000 0.00000 0.00005
101 6PY 0.00000 0.00001 0.00000 0.00000 -0.00004
102 6PZ 0.00000 0.00000 -0.00001 0.00000 0.00000
103 7PX 0.00001 0.00000 0.00000 0.00000 0.00002
104 7PY 0.00000 0.00001 0.00000 0.00000 -0.00003
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 -0.00001 -0.00001 0.00000 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 -0.00001
115 9D-2 0.00000 0.00000 0.00000 0.00000 0.00001
46 47 48 49 50
46 14F-3 0.00020
47 2 O 1S 0.00008 2.00065
48 2S 0.00012 -0.02540 0.56320
49 3S 0.00005 0.01160 0.11696 0.04702
50 4S 0.00017 -0.02198 0.31718 0.05663 0.31701
51 5S 0.00001 -0.00056 0.00961 0.00155 0.02524
52 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
53 6PY 0.00013 0.00000 0.00000 0.00000 0.00000
54 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
55 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
56 7PY 0.00068 0.00000 0.00000 0.00000 0.00000
57 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
58 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
59 8PY 0.00046 0.00000 0.00000 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
61 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
62 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
64 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
68 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
69 11D 0 0.00003 0.00000 0.00000 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 -0.00005 0.00000 0.00000 0.00000 0.00000
73 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
74 12D 0 0.00001 0.00000 0.00000 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 -0.00001 0.00000 0.00000 0.00000 0.00000
78 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 -0.00001 0.00000 0.00000 0.00000 0.00000
93 3 H 1S 0.00082 0.00000 -0.00002 0.00000 -0.00026
94 2S 0.00065 0.00003 -0.00148 -0.00011 -0.00141
95 3S -0.00002 0.00017 -0.00281 -0.00031 0.00196
96 4S 0.00000 0.00002 -0.00037 -0.00005 -0.00016
97 5PX -0.00003 0.00000 0.00000 0.00000 -0.00002
98 5PY 0.00000 0.00000 0.00000 0.00000 -0.00002
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX -0.00007 0.00001 -0.00053 -0.00004 -0.00037
101 6PY 0.00000 0.00002 -0.00062 -0.00005 -0.00039
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00003 0.00005 -0.00069 -0.00008 0.00051
104 7PY 0.00001 0.00012 -0.00195 -0.00026 -0.00031
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 -0.00001 0.00000 -0.00001
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00001 0.00000 0.00000
110 8D-2 0.00001 0.00000 -0.00001 0.00000 -0.00002
111 9D 0 -0.00001 0.00002 -0.00027 -0.00003 0.00005
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 -0.00001 0.00016 0.00002 0.00015
115 9D-2 0.00000 0.00004 -0.00079 -0.00011 -0.00039
51 52 53 54 55
51 5S 0.00844
52 6PX 0.00000 0.22977
53 6PY 0.00000 0.00000 0.20093
54 6PZ 0.00000 0.00000 0.00000 0.16873
55 7PX 0.00000 0.17542 0.00000 0.00000 0.37178
56 7PY 0.00000 0.00000 0.14682 0.00000 0.00000
57 7PZ 0.00000 0.00000 0.00000 0.13088 0.00000
58 8PX 0.00000 0.04293 0.00000 0.00000 0.17397
59 8PY 0.00000 0.00000 0.02300 0.00000 0.00000
60 8PZ 0.00000 0.00000 0.00000 0.03055 0.00000
61 9PX 0.00000 0.00127 0.00000 0.00000 0.00696
62 9PY 0.00000 0.00000 -0.00009 0.00000 0.00000
63 9PZ 0.00000 0.00000 0.00000 0.00059 0.00000
64 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
68 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
69 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
73 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
74 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
78 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
93 3 H 1S 0.00042 0.00000 0.00000 0.00000 -0.00004
94 2S 0.00222 -0.00012 -0.00037 0.00000 -0.00104
95 3S -0.00005 -0.00006 -0.00041 0.00000 -0.00037
96 4S 0.00006 0.00000 -0.00001 0.00000 -0.00001
97 5PX 0.00001 0.00000 0.00000 0.00000 0.00000
98 5PY 0.00000 0.00000 0.00000 0.00000 0.00001
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00021 0.00000 -0.00012 0.00000 -0.00002
101 6PY 0.00013 0.00003 -0.00010 0.00000 0.00026
102 6PZ 0.00000 0.00000 0.00000 0.00001 0.00000
103 7PX 0.00016 -0.00004 -0.00015 0.00000 -0.00027
104 7PY 0.00003 0.00027 -0.00010 0.00000 0.00140
105 7PZ 0.00000 0.00000 0.00000 -0.00006 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00002
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00001
111 9D 0 0.00005 -0.00003 -0.00011 0.00000 -0.00013
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00001 0.00000
114 9D+2 0.00000 -0.00001 0.00000 0.00000 -0.00007
115 9D-2 0.00004 -0.00001 -0.00011 0.00000 -0.00002
56 57 58 59 60
56 7PY 0.29796
57 7PZ 0.00000 0.28185
58 8PX 0.00000 0.00000 0.19316
59 8PY 0.08899 0.00000 0.00000 0.06778
60 8PZ 0.00000 0.12578 0.00000 0.00000 0.13269
61 9PX 0.00000 0.00000 0.01540 0.00000 0.00000
62 9PY -0.00048 0.00000 0.00000 -0.00021 0.00000
63 9PZ 0.00000 0.00331 0.00000 0.00000 0.00678
64 10D 0 0.00000 0.00000 0.00000 0.00000 0.00000
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
68 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
69 11D 0 0.00000 0.00000 0.00000 0.00000 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
73 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
74 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
78 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
93 3 H 1S -0.00008 0.00000 -0.00095 -0.00149 0.00000
94 2S -0.00310 0.00000 -0.00451 -0.00743 0.00000
95 3S -0.00222 0.00000 -0.00137 -0.00122 0.00000
96 4S -0.00004 0.00000 -0.00003 -0.00002 0.00000
97 5PX -0.00001 0.00000 0.00000 -0.00009 0.00000
98 5PY 0.00000 0.00000 0.00005 -0.00003 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00003
100 6PX -0.00092 0.00000 0.00002 -0.00104 0.00000
101 6PY -0.00072 0.00000 0.00051 -0.00053 0.00000
102 6PZ 0.00000 0.00015 0.00000 0.00000 0.00054
103 7PX -0.00073 0.00000 -0.00086 -0.00035 0.00000
104 7PY -0.00048 0.00000 0.00247 -0.00007 0.00000
105 7PZ 0.00000 -0.00034 0.00000 0.00000 -0.00076
106 8D 0 -0.00001 0.00000 0.00001 -0.00001 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00001
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00002
109 8D+2 0.00002 0.00000 0.00005 0.00002 0.00000
110 8D-2 -0.00003 0.00000 0.00000 -0.00004 0.00000
111 9D 0 -0.00045 0.00000 -0.00009 -0.00018 0.00000
112 9D+1 0.00000 -0.00001 0.00000 0.00000 -0.00002
113 9D-1 0.00000 0.00007 0.00000 0.00000 0.00012
114 9D+2 -0.00001 0.00000 -0.00012 0.00000 0.00000
115 9D-2 -0.00047 0.00000 0.00006 -0.00016 0.00000
61 62 63 64 65
61 9PX 0.00390
62 9PY 0.00000 0.00017
63 9PZ 0.00000 0.00000 0.00090
64 10D 0 0.00000 0.00000 0.00000 0.00011
65 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00000 0.00000 0.00000 0.00000 0.00000
67 10D+2 0.00000 0.00000 0.00000 0.00000 0.00000
68 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
69 11D 0 0.00000 0.00000 0.00000 0.00012 0.00000
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
73 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
74 12D 0 0.00000 0.00000 0.00000 -0.00001 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
78 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
93 3 H 1S -0.00044 -0.00005 0.00000 0.00000 0.00000
94 2S -0.00176 0.00011 0.00000 0.00000 0.00000
95 3S -0.00133 0.00015 0.00000 0.00000 0.00000
96 4S -0.00002 0.00002 0.00000 0.00000 0.00000
97 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
98 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX -0.00005 0.00005 0.00000 0.00000 0.00000
101 6PY 0.00003 0.00001 0.00000 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00007 0.00000 0.00000
103 7PX -0.00033 0.00006 0.00000 0.00000 0.00000
104 7PY 0.00024 -0.00001 0.00000 0.00000 0.00000
105 7PZ 0.00000 0.00000 -0.00011 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00001 0.00000 0.00000
114 9D+2 -0.00002 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
66 67 68 69 70
66 10D-1 0.00024
67 10D+2 0.00000 0.00034
68 10D-2 0.00000 0.00000 0.00019
69 11D 0 0.00000 0.00000 0.00000 0.00048
70 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.00034 0.00000 0.00000 0.00000 0.00000
72 11D+2 0.00000 0.00038 0.00000 0.00000 0.00000
73 11D-2 0.00000 0.00000 0.00026 0.00000 0.00000
74 12D 0 0.00000 0.00000 0.00000 -0.00006 0.00000
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00004 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00000 -0.00001 0.00000 0.00000 0.00000
78 12D-2 0.00000 0.00000 0.00003 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
93 3 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000
94 2S 0.00000 -0.00001 0.00001 -0.00012 0.00000
95 3S 0.00000 0.00000 0.00000 -0.00003 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
98 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 -0.00001 0.00000 -0.00003 0.00000
101 6PY 0.00000 0.00000 0.00000 -0.00003 0.00000
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
104 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00000 0.00000 -0.00001 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00000 -0.00001 0.00000
71 72 73 74 75
71 11D-1 0.00191
72 11D+2 0.00000 0.00166
73 11D-2 0.00000 0.00000 0.00133
74 12D 0 0.00000 0.00000 0.00000 0.00008
75 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00047 0.00000 0.00000 0.00000 0.00000
77 12D+2 0.00000 -0.00015 0.00000 0.00000 0.00000
78 12D-2 0.00000 0.00000 0.00040 0.00000 0.00000
79 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
93 3 H 1S 0.00000 -0.00002 0.00003 -0.00009 0.00000
94 2S 0.00000 -0.00024 0.00022 -0.00014 0.00000
95 3S 0.00000 -0.00008 0.00008 0.00005 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
98 5PY 0.00000 0.00000 0.00001 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 -0.00011 -0.00001 0.00002 0.00000
101 6PY 0.00000 -0.00004 0.00003 0.00002 0.00000
102 6PZ 0.00003 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00000 -0.00004 0.00000 0.00000 0.00000
104 7PY 0.00000 0.00001 0.00003 0.00000 0.00000
105 7PZ -0.00002 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 -0.00001 0.00000 0.00000 0.00000
111 9D 0 0.00000 -0.00001 -0.00001 0.00001 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00001 0.00000 0.00000
115 9D-2 0.00000 -0.00004 0.00000 0.00000 0.00000
76 77 78 79 80
76 12D-1 0.00032
77 12D+2 0.00000 0.00018
78 12D-2 0.00000 0.00000 0.00043
79 13F 0 0.00000 0.00000 0.00000 0.00002
80 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
81 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
82 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
86 14F 0 0.00000 0.00000 0.00000 0.00001 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
93 3 H 1S 0.00000 -0.00010 0.00030 0.00000 0.00000
94 2S 0.00000 -0.00012 0.00071 0.00000 0.00000
95 3S 0.00000 0.00007 0.00025 0.00000 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
98 5PY 0.00000 0.00000 0.00002 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00009 0.00002 0.00000 0.00000
101 6PY 0.00000 0.00001 0.00001 0.00000 0.00000
102 6PZ 0.00005 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00000 0.00009 0.00005 0.00000 0.00000
104 7PY 0.00000 -0.00004 0.00002 0.00000 0.00000
105 7PZ -0.00004 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00001 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00001 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00001 0.00002 0.00000 0.00000
115 9D-2 0.00000 0.00002 0.00001 0.00000 0.00000
81 82 83 84 85
81 13F-1 0.00002
82 13F+2 0.00000 0.00005
83 13F-2 0.00000 0.00000 0.00000
84 13F+3 0.00000 0.00000 0.00000 0.00006
85 13F-3 0.00000 0.00000 0.00000 0.00000 0.00005
86 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
87 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
88 14F-1 0.00001 0.00000 0.00000 0.00000 0.00000
89 14F+2 0.00000 0.00002 0.00000 0.00000 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00002 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00000 0.00002
93 3 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
94 2S 0.00000 0.00000 0.00000 0.00001 0.00000
95 3S 0.00000 0.00000 0.00000 0.00000 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
98 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
101 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
104 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
86 87 88 89 90
86 14F 0 0.00001
87 14F+1 0.00000 0.00000
88 14F-1 0.00000 0.00000 0.00002
89 14F+2 0.00000 0.00000 0.00000 0.00002
90 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
92 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
93 3 H 1S 0.00000 0.00000 -0.00002 0.00000 0.00000
94 2S 0.00000 -0.00001 -0.00006 0.00000 0.00000
95 3S 0.00000 0.00000 0.00000 0.00000 0.00000
96 4S 0.00000 0.00000 0.00000 0.00000 0.00000
97 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
98 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 0.00000 -0.00001 0.00000 0.00000
101 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
104 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
91 92 93 94 95
91 14F+3 0.00003
92 14F-3 0.00000 0.00004
93 3 H 1S 0.00001 0.00000 0.06957
94 2S 0.00003 -0.00002 0.06257 0.12091
95 3S 0.00001 0.00000 -0.00111 0.00688 0.02761
96 4S 0.00000 0.00000 -0.00017 -0.00035 0.00068
97 5PX 0.00000 0.00000 0.00000 0.00000 0.00000
98 5PY 0.00000 0.00000 0.00000 0.00000 0.00000
99 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000
100 6PX 0.00000 -0.00003 0.00000 0.00000 0.00000
101 6PY 0.00001 0.00000 0.00000 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
103 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
104 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
96 97 98 99 100
96 4S 0.00007
97 5PX 0.00000 0.00040
98 5PY 0.00000 0.00000 0.00020
99 5PZ 0.00000 0.00000 0.00000 0.00001
100 6PX 0.00000 0.00016 0.00000 0.00000 0.00160
101 6PY 0.00000 0.00000 0.00003 0.00000 0.00000
102 6PZ 0.00000 0.00000 0.00000 0.00003 0.00000
103 7PX 0.00000 -0.00012 0.00000 0.00000 0.00031
104 7PY 0.00000 0.00000 -0.00002 0.00000 0.00000
105 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
101 102 103 104 105
101 6PY 0.00045
102 6PZ 0.00000 0.00016
103 7PX 0.00000 0.00000 0.00201
104 7PY 0.00031 0.00000 0.00000 0.00118
105 7PZ 0.00000 -0.00005 0.00000 0.00000 0.00005
106 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000
107 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
106 107 108 109 110
106 8D 0 0.00001
107 8D+1 0.00000 0.00000
108 8D-1 0.00000 0.00000 0.00000
109 8D+2 0.00000 0.00000 0.00000 0.00002
110 8D-2 0.00000 0.00000 0.00000 0.00000 0.00004
111 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000
112 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000
115 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000
111 112 113 114 115
111 9D 0 0.00010
112 9D+1 0.00000 0.00000
113 9D-1 0.00000 0.00000 0.00000
114 9D+2 0.00000 0.00000 0.00000 0.00002
115 9D-2 0.00000 0.00000 0.00000 0.00000 0.00009
Gross orbital populations:
Total Alpha Beta Spin
1 1 C 1S 1.96509 0.98281 0.98228 0.00053
2 2S 0.85928 0.46513 0.39415 0.07098
3 3S 0.18342 0.09871 0.08471 0.01400
4 4S 0.58819 0.33368 0.25451 0.07917
5 5S 0.02904 0.01733 0.01170 0.00563
6 6PX 0.25711 0.18380 0.07331 0.11049
7 6PY 0.32599 0.17818 0.14782 0.03036
8 6PZ 0.13620 0.06810 0.06810 0.00000
9 7PX 0.50227 0.35302 0.14925 0.20377
10 7PY 0.43849 0.24114 0.19735 0.04379
11 7PZ 0.27889 0.13944 0.13944 0.00000
12 8PX 0.17137 0.13590 0.03547 0.10042
13 8PY 0.07771 0.04501 0.03269 0.01232
14 8PZ 0.11040 0.05520 0.05520 0.00000
15 9PX 0.00336 0.00472 -0.00136 0.00608
16 9PY -0.00013 -0.00005 -0.00008 0.00004
17 9PZ -0.00001 -0.00001 -0.00001 0.00000
18 10D 0 0.00364 0.00198 0.00166 0.00033
19 10D+1 0.00002 0.00001 0.00001 0.00000
20 10D-1 0.00910 0.00455 0.00455 0.00000
21 10D+2 0.01091 0.00549 0.00542 0.00007
22 10D-2 0.01578 0.01039 0.00539 0.00499
23 11D 0 0.00586 0.00337 0.00249 0.00088
24 11D+1 0.00005 0.00003 0.00003 0.00000
25 11D-1 0.03096 0.01548 0.01548 0.00000
26 11D+2 0.00684 0.00344 0.00340 0.00005
27 11D-2 0.07388 0.05449 0.01938 0.03511
28 12D 0 0.00105 0.00055 0.00050 0.00005
29 12D+1 0.00006 0.00003 0.00003 0.00000
30 12D-1 -0.00075 -0.00037 -0.00037 0.00000
31 12D+2 -0.00179 -0.00064 -0.00115 0.00051
32 12D-2 0.02187 0.01965 0.00222 0.01744
33 13F 0 0.00145 0.00072 0.00072 0.00000
34 13F+1 0.00037 0.00018 0.00019 0.00000
35 13F-1 0.00079 0.00039 0.00039 0.00000
36 13F+2 0.00268 0.00134 0.00134 0.00000
37 13F-2 0.00000 0.00000 0.00000 0.00000
38 13F+3 0.00491 0.00272 0.00219 0.00053
39 13F-3 0.00267 0.00140 0.00127 0.00014
40 14F 0 0.00089 0.00044 0.00044 0.00000
41 14F+1 0.00029 0.00016 0.00014 0.00002
42 14F-1 0.00070 0.00036 0.00034 0.00003
43 14F+2 0.00250 0.00125 0.00125 0.00000
44 14F-2 0.00000 0.00000 0.00000 0.00000
45 14F+3 0.00610 0.00430 0.00180 0.00251
46 14F-3 0.00322 0.00155 0.00167 -0.00012
47 2 O 1S 1.96243 0.98122 0.98121 0.00002
48 2S 1.01615 0.50860 0.50755 0.00105
49 3S 0.23819 0.11929 0.11890 0.00039
50 4S 0.59083 0.29465 0.29619 -0.00154
51 5S 0.03389 0.01859 0.01530 0.00328
52 6PX 0.46079 0.26024 0.20056 0.05968
53 6PY 0.42210 0.21328 0.20882 0.00446
54 6PZ 0.35009 0.17504 0.17504 0.00000
55 7PX 0.77214 0.42612 0.34602 0.08010
56 7PY 0.70695 0.35579 0.35116 0.00464
57 7PZ 0.63295 0.31648 0.31648 0.00000
58 8PX 0.44417 0.23044 0.21373 0.01671
59 8PY 0.21182 0.10425 0.10757 -0.00331
60 8PZ 0.40282 0.20141 0.20141 0.00000
61 9PX 0.01541 0.00461 0.01081 -0.00620
62 9PY -0.00060 0.00005 -0.00065 0.00070
63 9PZ 0.01794 0.00897 0.00897 0.00000
64 10D 0 0.00065 0.00033 0.00032 0.00001
65 10D+1 0.00000 0.00000 0.00000 0.00000
66 10D-1 0.00134 0.00067 0.00067 0.00000
67 10D+2 0.00204 0.00102 0.00102 0.00001
68 10D-2 0.00108 0.00058 0.00050 0.00008
69 11D 0 0.00247 0.00122 0.00125 -0.00003
70 11D+1 0.00000 0.00000 0.00000 0.00000
71 11D-1 0.01237 0.00618 0.00618 0.00000
72 11D+2 0.00854 0.00423 0.00431 -0.00008
73 11D-2 0.01013 0.00576 0.00436 0.00140
74 12D 0 -0.00105 -0.00041 -0.00064 0.00023
75 12D+1 0.00000 0.00000 0.00000 0.00000
76 12D-1 0.00658 0.00329 0.00329 0.00000
77 12D+2 -0.00158 -0.00044 -0.00113 0.00069
78 12D-2 0.01075 0.00814 0.00261 0.00553
79 13F 0 0.00022 0.00011 0.00011 0.00000
80 13F+1 0.00003 0.00002 0.00001 0.00001
81 13F-1 0.00027 0.00014 0.00013 0.00001
82 13F+2 0.00051 0.00025 0.00025 0.00000
83 13F-2 0.00000 0.00000 0.00000 0.00000
84 13F+3 0.00070 0.00038 0.00031 0.00007
85 13F-3 0.00057 0.00029 0.00028 0.00000
86 14F 0 0.00034 0.00017 0.00017 0.00000
87 14F+1 -0.00003 -0.00002 -0.00002 0.00000
88 14F-1 -0.00024 -0.00012 -0.00012 0.00000
89 14F+2 0.00094 0.00047 0.00047 0.00000
90 14F-2 0.00000 0.00000 0.00000 0.00000
91 14F+3 0.00122 0.00075 0.00047 0.00029
92 14F-3 -0.00015 -0.00009 -0.00006 -0.00003
93 3 H 1S 0.24708 0.13844 0.10865 0.02979
94 2S 0.38884 0.21646 0.17238 0.04408
95 3S -0.08890 -0.04249 -0.04640 0.00391
96 4S -0.00451 -0.00231 -0.00220 -0.00011
97 5PX 0.00538 0.00267 0.00271 -0.00003
98 5PY 0.00252 0.00143 0.00109 0.00033
99 5PZ 0.00032 0.00016 0.00016 0.00000
100 6PX 0.00676 0.00635 0.00041 0.00593
101 6PY -0.00393 -0.00197 -0.00195 -0.00002
102 6PZ 0.00364 0.00182 0.00182 0.00000
103 7PX -0.01514 -0.00470 -0.01044 0.00575
104 7PY -0.00437 -0.00213 -0.00224 0.00011
105 7PZ -0.00307 -0.00154 -0.00154 0.00000
106 8D 0 0.00020 0.00010 0.00010 0.00000
107 8D+1 0.00013 0.00007 0.00007 0.00000
108 8D-1 0.00014 0.00007 0.00007 0.00000
109 8D+2 0.00094 0.00056 0.00038 0.00018
110 8D-2 0.00053 0.00028 0.00025 0.00003
111 9D 0 -0.00156 -0.00052 -0.00104 0.00052
112 9D+1 -0.00014 -0.00007 -0.00007 0.00000
113 9D-1 0.00043 0.00022 0.00022 0.00000
114 9D+2 0.00161 0.00140 0.00022 0.00118
115 9D-2 -0.00343 -0.00167 -0.00176 0.00009
Condensed to atoms (all electrons):
1 2 3
1 C 5.369827 0.551633 0.209258
2 O 0.551633 7.822732 -0.038580
3 H 0.209258 -0.038580 0.362819
Atomic-Atomic Spin Densities.
1 2 3
1 C 0.841707 -0.089017 -0.012605
2 O -0.089017 0.270644 -0.013467
3 H -0.012605 -0.013467 0.117826
Mulliken charges and spin densities:
1 2
1 C -0.130718 0.740085
2 O -0.335785 0.168160
3 H 0.466503 0.091754
Sum of Mulliken charges = 0.00000 1.00000
Mulliken charges and spin densities with hydrogens summed into heavy atoms:
1 2
1 C 0.335785 0.831840
2 O -0.335785 0.168160
Electronic spatial extent (au): <R**2>= 50.6256
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= -0.9200 Y= 1.9978 Z= 0.0000 Tot= 2.1995
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -11.3075 YY= -11.4947 ZZ= -10.9659
XY= -1.0864 XZ= 0.0000 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= -0.0515 YY= -0.2387 ZZ= 0.2901
XY= -1.0864 XZ= 0.0000 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= -1.3700 YYY= -1.7740 ZZZ= 0.0000 XYY= -1.7429
XXY= -0.3523 XXZ= 0.0000 XZZ= -0.1592 YZZ= -0.5750
YYZ= 0.0000 XYZ= 0.0000
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -14.5553 YYYY= -39.8176 ZZZZ= -9.8100 XXXY= 0.8010
XXXZ= 0.0000 YYYX= -0.1024 YYYZ= 0.0000 ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -8.8801 XXZZ= -4.2066 YYZZ= -8.1587
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.6288
N-N= 2.648830242808D+01 E-N=-3.200548136652D+02 KE= 1.130779659448D+02
Symmetry A' KE= 1.093673751348D+02
Symmetry A" KE= 3.710590810002D+00
Orbital energies and kinetic energies (alpha):
1 2
1 O -20.618291 29.192555
2 O -11.361721 16.028230
3 O -1.460307 2.775426
4 O -0.856793 1.831446
5 O -0.708564 2.011660
6 O -0.645822 1.855295
7 O -0.582421 2.019786
8 O -0.381909 1.649170
9 V 0.027584 0.064230
10 V 0.061748 0.334352
11 V 0.076067 0.111230
12 V 0.080816 0.124086
13 V 0.128951 0.250082
14 V 0.132546 0.944350
15 V 0.176964 0.204368
16 V 0.192741 0.292805
17 V 0.205458 0.403114
18 V 0.235015 0.434860
19 V 0.259584 0.444767
20 V 0.265552 0.371946
21 V 0.313227 0.389883
22 V 0.331342 0.415818
23 V 0.345990 0.538195
24 V 0.381391 0.683399
25 V 0.413475 0.594723
26 V 0.421581 0.572531
27 V 0.441351 0.719171
28 V 0.519935 0.989709
29 V 0.529808 1.013465
30 V 0.588578 1.008254
31 V 0.643566 1.165913
32 V 0.726977 1.513271
33 V 0.760477 0.861989
34 V 0.774748 0.910570
35 V 0.828970 1.151407
36 V 0.838664 1.170778
37 V 0.865372 1.262731
38 V 0.873760 1.061813
39 V 0.922183 1.336719
40 V 0.958334 1.076767
41 V 0.965826 1.043389
42 V 1.005179 1.599155
43 V 1.025009 1.851679
44 V 1.040197 1.255447
45 V 1.077218 1.793389
46 V 1.094135 1.537750
47 V 1.188781 1.486092
48 V 1.206462 1.794999
49 V 1.254283 1.854798
50 V 1.288477 1.672245
51 V 1.308905 1.440745
52 V 1.339635 1.694672
53 V 1.406707 2.039850
54 V 1.408939 1.810555
55 V 1.491333 1.925665
56 V 1.508893 1.983324
57 V 1.568194 2.491606
58 V 1.664602 2.314652
59 V 1.843251 2.324867
60 V 1.930312 2.403242
61 V 1.990399 3.215833
62 V 2.198268 2.391335
63 V 2.217306 2.481076
64 V 2.280669 2.768626
65 V 2.283382 2.877236
66 V 2.423525 2.937233
67 V 2.424675 3.236525
68 V 2.471793 3.040400
69 V 2.542466 3.586583
70 V 2.646730 3.738478
71 V 2.681488 3.012835
72 V 2.688141 4.088610
73 V 2.758301 3.593200
74 V 2.840528 3.743833
75 V 3.003533 4.192326
76 V 3.022773 4.810819
77 V 3.241146 4.145062
78 V 3.252328 5.009616
79 V 3.362966 4.347033
80 V 3.428498 3.959893
81 V 3.476285 4.743211
82 V 3.504066 4.365214
83 V 3.525350 4.361056
84 V 3.640702 4.713644
85 V 3.730740 4.499233
86 V 3.864663 4.690717
87 V 3.978302 6.308925
88 V 4.031391 6.054795
89 V 4.099770 5.138381
90 V 4.154002 6.740701
91 V 4.214958 5.292789
92 V 4.565863 6.891348
93 V 4.584798 5.181082
94 V 4.787782 6.664529
95 V 4.963274 6.525232
96 V 5.045641 5.688977
97 V 5.166656 8.319162
98 V 5.312431 8.494799
99 V 5.417245 6.953827
100 V 5.609312 7.423042
101 V 6.237163 8.695138
102 V 6.535756 7.502912
103 V 6.535992 7.493492
104 V 6.828307 7.833389
105 V 6.856841 7.937606
106 V 7.081891 8.320964
107 V 7.111283 9.689333
108 V 7.131553 9.733544
109 V 7.257764 9.203458
110 V 7.322926 9.117420
111 V 7.489343 10.088340
112 V 7.611589 10.228719
113 V 7.651773 10.992571
114 V 14.426370 34.131371
115 V 14.928656 38.934597
Total kinetic energy from orbitals= 1.147271359612D+02
Isotropic Fermi Contact Couplings
Atom a.u. MegaHertz Gauss 10(-4) cm-1
1 C(13) 0.37807 425.02579 151.65976 141.77334
2 O(17) 0.02598 -15.74941 -5.61978 -5.25344
3 H(1) 0.05223 233.45995 83.30431 77.87386
--------------------------------------------------------
Center ---- Spin Dipole Couplings ----
3XX-RR 3YY-RR 3ZZ-RR
--------------------------------------------------------
1 Atom 0.488595 -0.118412 -0.370182
2 Atom 0.767369 -0.306948 -0.460422
3 Atom 0.026133 0.008950 -0.035083
--------------------------------------------------------
XY XZ YZ
--------------------------------------------------------
1 Atom 0.448987 0.000000 0.000000
2 Atom 0.337280 0.000000 0.000000
3 Atom -0.035549 0.000000 0.000000
--------------------------------------------------------
---------------------------------------------------------------------------------
Anisotropic Spin Dipole Couplings in Principal Axis System
---------------------------------------------------------------------------------
Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes
Baa -0.3702 -49.675 -17.725 -16.570 0.0000 0.0000 1.0000
1 C(13) Bbb -0.3569 -47.886 -17.087 -15.973 -0.4690 0.8832 0.0000
Bcc 0.7270 97.561 34.812 32.543 0.8832 0.4690 0.0000
Baa -0.4604 33.316 11.888 11.113 0.0000 0.0000 1.0000
2 O(17) Bbb -0.4041 29.237 10.433 9.753 -0.2767 0.9610 0.0000
Bcc 0.8645 -62.553 -22.321 -20.865 0.9610 0.2767 0.0000
Baa -0.0351 -18.718 -6.679 -6.244 0.0000 0.0000 1.0000
3 H(1) Bbb -0.0190 -10.154 -3.623 -3.387 0.6185 0.7858 0.0000
Bcc 0.0541 28.872 10.302 9.631 0.7858 -0.6185 0.0000
---------------------------------------------------------------------------------
No NMR shielding tensors so no spin-rotation constants.
Leave Link 601 at Fri Apr 5 07:32:05 2019, MaxMem= 13421772800 cpu: 27.5
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
1\1\GINC-COMPUTE-3-8\SP\ROCCSD(T)-FC\Aug-CC-pVTZ\C1H1O1(2)\LOOS\05-Apr
-2019\0\\#p ROCCSD(T) aug-cc-pVTZ pop=full gfprint\\G2\\0,2\C\O,1,1.17
621067\H,1,1.12859543,2,124.03532275\\Version=ES64L-G09RevD.01\State=2
-A'\HF=-113.2887169\MP2=-113.6700307\MP3=-113.6670391\PUHF=-113.288716
9\PMP2-0=-113.6700307\MP4SDQ=-113.6763265\CCSD=-113.6743553\CCSD(T)=-1
13.6924358\RMSD=3.925e-09\PG=CS [SG(C1H1O1)]\\@
UPON JULIA'S CLOTHES
WHENAS IN SILKS MY JULIA GOES,
THEN, THEN, METHINKS, HOW SWEETLY FLOWS
THAT LIQUEFACTION OF HER CLOTHES.
NEXT, WHEN I CAST MINE EYES, AND SEE
THAT BRAVE VIBRATION, EACH WAY FREE,
O, HOW THAT GLITTERING TAKETH ME!
-- ROBERT HERRICK, 1648
Job cpu time: 0 days 2 hours 29 minutes 40.5 seconds.
File lengths (MBytes): RWF= 407 Int= 0 D2E= 0 Chk= 2 Scr= 1
Normal termination of Gaussian 09 at Fri Apr 5 07:32:05 2019.
Reference in New Issue View Git Blame Copy Permalink