Entering Gaussian System, Link 0=g09
Initial command:
/g/software/lms/g09_B01/g09/l1.exe /scratch/rrl581a/tmp/ch4_hfg09/Gau-11015.inp -scrdir=/scratch/rrl581a/tmp/ch4_hfg09/
Default is to use a total of 8 processors:
8 via shared-memory
1 via Linda
Entering Link 1 = /g/software/lms/g09_B01/g09/l1.exe PID= 11016.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2010,
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 B.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, 2010.
******************************************
Gaussian 09: EM64L-G09RevB.01 12-Aug-2010
24-Dec-2014
******************************************
----------------------------------------------------------------------
#rhf/aug-cc-pvtz SCF=tight 6D 10F Freq=HPModes Gfinput IOP(6/7=3) PUNC
H=MO
----------------------------------------------------------------------
1/10=4,30=1,38=1/1,3;
2/12=2,17=6,18=5,40=1/2;
3/5=16,6=1,7=10,8=22,11=1,16=1,24=10,25=1,30=1,71=2,116=1/1,2,3;
4//1;
5/5=2,32=2,38=5,98=1/2;
8/6=4,10=90,11=11/1;
10/13=10,15=4/2;
11/6=3,8=1,9=11,15=111,16=1/1,2,10;
10/6=1/2;
6/7=3,8=2,9=2,10=2,18=1,28=1/1;
7/8=11,10=1,25=1/1,2,3,16;
1/10=4,30=1/3;
99/10=32/99;
-------------
CH4 - Methane
-------------
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
c
h 1 hc2
h 1 hc3 2 hch3
h 1 hc4 2 hch4 3 dih4 0
h 1 hc5 2 hch5 3 dih5 0
Variables:
hc2 1.089
hc3 1.089
hch3 109.471
hc4 1.089
hch4 109.471
dih4 120.
hc5 1.089
hch5 109.471
dih5 -120.
3 tetrahedral angles replaced.
3 tetrahedral angles replaced.
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Berny optimization.
Initialization pass.
----------------------------
! Initial Parameters !
! (Angstroms and Degrees) !
---------------------- ----------------------
! Name Value Derivative information (Atomic Units) !
------------------------------------------------------------------------
! hc2 1.089 calculate D2E/DX2 analytically !
! hc3 1.089 calculate D2E/DX2 analytically !
! hch3 109.4712 calculate D2E/DX2 analytically !
! hc4 1.089 calculate D2E/DX2 analytically !
! hch4 109.4712 calculate D2E/DX2 analytically !
! dih4 120.0 calculate D2E/DX2 analytically !
! hc5 1.089 calculate D2E/DX2 analytically !
! hch5 109.4712 calculate D2E/DX2 analytically !
! dih5 -120.0 calculate D2E/DX2 analytically !
------------------------------------------------------------------------
Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
Number of steps in this run= 2 maximum allowed number of steps= 2.
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.000000 0.000000 0.000000
2 1 0 0.000000 0.000000 1.089000
3 1 0 1.026719 0.000000 -0.363000
4 1 0 -0.513360 -0.889165 -0.363000
5 1 0 -0.513360 0.889165 -0.363000
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4 5
1 C 0.000000
2 H 1.089000 0.000000
3 H 1.089000 1.778330 0.000000
4 H 1.089000 1.778330 1.778330 0.000000
5 H 1.089000 1.778330 1.778330 1.778330 0.000000
Stoichiometry CH4
Framework group TD[O(C),4C3(H)]
Deg. of freedom 1
Full point group TD NOp 24
Largest Abelian subgroup D2 NOp 4
Largest concise Abelian subgroup D2 NOp 4
Standard orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 6 0 0.000000 0.000000 0.000000
2 1 0 0.628734 0.628734 0.628734
3 1 0 -0.628734 -0.628734 0.628734
4 1 0 -0.628734 0.628734 -0.628734
5 1 0 0.628734 -0.628734 -0.628734
---------------------------------------------------------------------
Rotational constants (GHZ): 158.5650837 158.5650837 158.5650837
Standard basis: Aug-CC-pVTZ (6D, 10F)
AO basis set in the form of general basis input (Overlap normalization):
1 0
S 7 1.00 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
S 6 1.00 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
S 1 1.00 0.000000000000
0.9059000000D+00 0.1000000000D+01
S 1 1.00 0.000000000000
0.1285000000D+00 0.1000000000D+01
S 1 1.00 0.000000000000
0.4402000000D-01 0.1000000000D+01
P 3 1.00 0.000000000000
0.1871000000D+02 0.3942638716D-01
0.4133000000D+01 0.2440889849D+00
0.1200000000D+01 0.8154920089D+00
P 1 1.00 0.000000000000
0.3827000000D+00 0.1000000000D+01
P 1 1.00 0.000000000000
0.1209000000D+00 0.1000000000D+01
P 1 1.00 0.000000000000
0.3569000000D-01 0.1000000000D+01
D 1 1.00 0.000000000000
0.1097000000D+01 0.1000000000D+01
D 1 1.00 0.000000000000
0.3180000000D+00 0.1000000000D+01
D 1 1.00 0.000000000000
0.1000000000D+00 0.1000000000D+01
F 1 1.00 0.000000000000
0.7610000000D+00 0.1000000000D+01
F 1 1.00 0.000000000000
0.2680000000D+00 0.1000000000D+01
****
2 0
S 3 1.00 0.000000000000
0.3387000000D+02 0.2549486323D-01
0.5095000000D+01 0.1903627659D+00
0.1159000000D+01 0.8521620222D+00
S 1 1.00 0.000000000000
0.3258000000D+00 0.1000000000D+01
S 1 1.00 0.000000000000
0.1027000000D+00 0.1000000000D+01
S 1 1.00 0.000000000000
0.2526000000D-01 0.1000000000D+01
P 1 1.00 0.000000000000
0.1407000000D+01 0.1000000000D+01
P 1 1.00 0.000000000000
0.3880000000D+00 0.1000000000D+01
P 1 1.00 0.000000000000
0.1020000000D+00 0.1000000000D+01
D 1 1.00 0.000000000000
0.1057000000D+01 0.1000000000D+01
D 1 1.00 0.000000000000
0.2470000000D+00 0.1000000000D+01
****
3 0
S 3 1.00 0.000000000000
0.3387000000D+02 0.2549486323D-01
0.5095000000D+01 0.1903627659D+00
0.1159000000D+01 0.8521620222D+00
S 1 1.00 0.000000000000
0.3258000000D+00 0.1000000000D+01
S 1 1.00 0.000000000000
0.1027000000D+00 0.1000000000D+01
S 1 1.00 0.000000000000
0.2526000000D-01 0.1000000000D+01
P 1 1.00 0.000000000000
0.1407000000D+01 0.1000000000D+01
P 1 1.00 0.000000000000
0.3880000000D+00 0.1000000000D+01
P 1 1.00 0.000000000000
0.1020000000D+00 0.1000000000D+01
D 1 1.00 0.000000000000
0.1057000000D+01 0.1000000000D+01
D 1 1.00 0.000000000000
0.2470000000D+00 0.1000000000D+01
****
4 0
S 3 1.00 0.000000000000
0.3387000000D+02 0.2549486323D-01
0.5095000000D+01 0.1903627659D+00
0.1159000000D+01 0.8521620222D+00
S 1 1.00 0.000000000000
0.3258000000D+00 0.1000000000D+01
S 1 1.00 0.000000000000
0.1027000000D+00 0.1000000000D+01
S 1 1.00 0.000000000000
0.2526000000D-01 0.1000000000D+01
P 1 1.00 0.000000000000
0.1407000000D+01 0.1000000000D+01
P 1 1.00 0.000000000000
0.3880000000D+00 0.1000000000D+01
P 1 1.00 0.000000000000
0.1020000000D+00 0.1000000000D+01
D 1 1.00 0.000000000000
0.1057000000D+01 0.1000000000D+01
D 1 1.00 0.000000000000
0.2470000000D+00 0.1000000000D+01
****
5 0
S 3 1.00 0.000000000000
0.3387000000D+02 0.2549486323D-01
0.5095000000D+01 0.1903627659D+00
0.1159000000D+01 0.8521620222D+00
S 1 1.00 0.000000000000
0.3258000000D+00 0.1000000000D+01
S 1 1.00 0.000000000000
0.1027000000D+00 0.1000000000D+01
S 1 1.00 0.000000000000
0.2526000000D-01 0.1000000000D+01
P 1 1.00 0.000000000000
0.1407000000D+01 0.1000000000D+01
P 1 1.00 0.000000000000
0.3880000000D+00 0.1000000000D+01
P 1 1.00 0.000000000000
0.1020000000D+00 0.1000000000D+01
D 1 1.00 0.000000000000
0.1057000000D+01 0.1000000000D+01
D 1 1.00 0.000000000000
0.2470000000D+00 0.1000000000D+01
****
There are 41 symmetry adapted basis functions of A symmetry.
There are 38 symmetry adapted basis functions of B1 symmetry.
There are 38 symmetry adapted basis functions of B2 symmetry.
There are 38 symmetry adapted basis functions of B3 symmetry.
Integral buffers will be 131072 words long.
Raffenetti 1 integral format.
Two-electron integral symmetry is turned on.
155 basis functions, 180 primitive gaussians, 155 cartesian basis functions
5 alpha electrons 5 beta electrons
nuclear repulsion energy 13.4477265592 Hartrees.
NAtoms= 5 NActive= 5 NUniq= 2 SFac= 4.00D+00 NAtFMM= 50 NAOKFM=F Big=F
One-electron integrals computed using PRISM.
NBasis= 155 RedAO= T NBF= 41 38 38 38
NBsUse= 155 1.00D-06 NBFU= 41 38 38 38
Harris functional with IExCor= 205 diagonalized for initial guess.
ExpMin= 2.53D-02 ExpMax= 8.24D+03 ExpMxC= 2.81D+02 IAcc=3 IRadAn= 0 AccDes= 0.00D+00
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 0 IDoV= 1
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
Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
I1Cent= 4 NGrid= 0.
Petite list used in FoFCou.
Initial guess orbital symmetries:
Occupied (A1) (A1) (T2) (T2) (T2)
Virtual (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (T2) (T2)
(T2) (E) (E) (A1) (T2) (T2) (T2) (A1) (T1) (T1)
(T1) (T2) (T2) (T2) (T2) (T2) (T2) (E) (E) (A1)
(T2) (T2) (T2) (T2) (T2) (T2) (A1) (T1) (T1) (T1)
(T2) (T2) (T2) (A1) (E) (E) (T2) (T2) (T2) (T1)
(T1) (T1) (E) (E) (T2) (T2) (T2) (A1) (E) (E)
(T2) (T2) (T2) (T2) (T2) (T2) (A1) (T1) (T1) (T1)
(T2) (T2) (T2) (A1) (T2) (T2) (T2) (T1) (T1) (T1)
(A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (A1)
(T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (T2) (T2)
(T2) (T2) (T2) (T2) (A1) (T1) (T1) (T1) (T2) (T2)
(T2) (E) (E) (A1) (T2) (T2) (T2) (E) (E) (T1)
(T1) (T1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (T1)
(T1) (T1) (E) (E) (T2) (T2) (T2) (A1) (T2) (T2)
(T2) (T2) (T2) (T2) (A1) (A1) (T2) (T2) (T2) (A1)
The electronic state of the initial guess is 1-A1.
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.
Initial convergence to 1.0D-05 achieved. Increase integral accuracy.
DSYEVD returned Info= 83 IAlg= 4 N= 41 NDim= 155 NE2= 215976 trying DSYEV.
DSYEVD returned Info= 83 IAlg= 4 N= 41 NDim= 155 NE2= 215976 trying DSYEV.
DSYEVD returned Info= 83 IAlg= 4 N= 41 NDim= 155 NE2= 215976 trying DSYEV.
SCF Done: E(RHF) = -40.2137422639 A.U. after 9 cycles
Convg = 0.1192D-08 -V/T = 2.0013
Range of M.O.s used for correlation: 1 155
NBasis= 155 NAE= 5 NBE= 5 NFC= 0 NFV= 0
NROrb= 155 NOA= 5 NOB= 5 NVA= 150 NVB= 150
**** Warning!!: The largest alpha MO coefficient is 0.19673410D+03
Differentiating once with respect to electric field.
with respect to dipole field.
Electric field/nuclear overlap derivatives assumed to be zero.
There are 3 degrees of freedom in the 1st order CPHF. IDoFFX=0.
3 vectors produced by pass 0 Test12= 2.50D-14 3.33D-08 XBig12= 3.83D+00 7.31D-01.
AX will form 3 AO Fock derivatives at one time.
3 vectors produced by pass 1 Test12= 2.50D-14 3.33D-08 XBig12= 1.16D-01 1.19D-01.
3 vectors produced by pass 2 Test12= 2.50D-14 3.33D-08 XBig12= 1.33D-03 1.16D-02.
3 vectors produced by pass 3 Test12= 2.50D-14 3.33D-08 XBig12= 1.62D-05 1.08D-03.
3 vectors produced by pass 4 Test12= 2.50D-14 3.33D-08 XBig12= 1.08D-07 8.86D-05.
3 vectors produced by pass 5 Test12= 2.50D-14 3.33D-08 XBig12= 1.46D-09 1.09D-05.
3 vectors produced by pass 6 Test12= 2.50D-14 3.33D-08 XBig12= 7.26D-12 8.24D-07.
3 vectors produced by pass 7 Test12= 2.50D-14 3.33D-08 XBig12= 4.00D-14 6.38D-08.
Inverted reduced A of dimension 24 with in-core refinement.
End of Minotr Frequency-dependent properties file 721 does not exist.
End of Minotr Frequency-dependent properties file 722 does not exist.
Symmetrizing basis deriv contribution to polar:
IMax=3 JMax=2 DiffMx= 0.00D+00
G2DrvN: will do 6 centers at a time, making 1 passes doing MaxLOS=3.
Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00.
FoFDir/FoFCou used for L=0 through L=3.
End of G2Drv Frequency-dependent properties file 721 does not exist.
End of G2Drv Frequency-dependent properties file 722 does not exist.
IDoAtm=11111
Differentiating once with respect to electric field.
with respect to dipole field.
Differentiating once with respect to nuclear coordinates.
There are 9 degrees of freedom in the 1st order CPHF. IDoFFX=4.
Will reuse 3 saved solutions.
6 vectors produced by pass 0 Test12= 8.33D-15 1.11D-08 XBig12= 3.80D-02 4.47D-02.
AX will form 6 AO Fock derivatives at one time.
6 vectors produced by pass 1 Test12= 8.33D-15 1.11D-08 XBig12= 4.91D-04 5.92D-03.
6 vectors produced by pass 2 Test12= 8.33D-15 1.11D-08 XBig12= 8.61D-06 5.94D-04.
6 vectors produced by pass 3 Test12= 8.33D-15 1.11D-08 XBig12= 9.89D-08 8.92D-05.
6 vectors produced by pass 4 Test12= 8.33D-15 1.11D-08 XBig12= 5.99D-10 7.26D-06.
6 vectors produced by pass 5 Test12= 8.33D-15 1.11D-08 XBig12= 4.27D-12 6.48D-07.
6 vectors produced by pass 6 Test12= 8.33D-15 1.11D-08 XBig12= 2.28D-14 3.54D-08.
Inverted reduced A of dimension 42 with in-core refinement.
Isotropic polarizability for W= 0.000000 16.05 Bohr**3.
End of Minotr Frequency-dependent properties file 721 does not exist.
End of Minotr Frequency-dependent properties file 722 does not exist.
**********************************************************************
Population analysis using the SCF density.
**********************************************************************
Orbital symmetries:
Occupied (A1) (A1) (T2) (T2) (T2)
Virtual (A1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (T2) (T2)
(T2) (E) (E) (A1) (T2) (T2) (T2) (T1) (T1) (T1)
(A1) (T2) (T2) (T2) (T2) (T2) (T2) (E) (E) (T2)
(T2) (T2) (A1) (T2) (T2) (T2) (A1) (T1) (T1) (T1)
(A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (T1)
(T1) (T1) (T2) (T2) (T2) (E) (E) (E) (E) (A1)
(T2) (T2) (T2) (T2) (T2) (T2) (A1) (T1) (T1) (T1)
(T2) (T2) (T2) (A1) (T2) (T2) (T2) (T1) (T1) (T1)
(A1) (T2) (T2) (T2) (E) (E) (T2) (T2) (T2) (A1)
(T2) (T2) (T2) (E) (E) (T1) (T1) (T1) (T2) (T2)
(T2) (T2) (T2) (T2) (A1) (T1) (T1) (T1) (E) (E)
(T2) (T2) (T2) (A1) (T2) (T2) (T2) (E) (E) (T1)
(T1) (T1) (T2) (T2) (T2) (T2) (T2) (T2) (A1) (T1)
(T1) (T1) (E) (E) (T2) (T2) (T2) (A1) (T2) (T2)
(T2) (T2) (T2) (T2) (A1) (A1) (T2) (T2) (T2) (A1)
The electronic state is 1-A1.
Alpha occ. eigenvalues -- -11.20629 -0.94273 -0.54479 -0.54479 -0.54479
Alpha virt. eigenvalues -- 0.02908 0.04987 0.04987 0.04987 0.12005
Alpha virt. eigenvalues -- 0.12005 0.12005 0.12956 0.21909 0.21909
Alpha virt. eigenvalues -- 0.21909 0.22298 0.22298 0.29222 0.32054
Alpha virt. eigenvalues -- 0.32054 0.32054 0.35395 0.35395 0.35395
Alpha virt. eigenvalues -- 0.35661 0.38809 0.38809 0.38809 0.44551
Alpha virt. eigenvalues -- 0.44551 0.44551 0.50040 0.50040 0.52058
Alpha virt. eigenvalues -- 0.52058 0.52058 0.54344 0.73482 0.73482
Alpha virt. eigenvalues -- 0.73482 0.73604 0.89292 0.89292 0.89292
Alpha virt. eigenvalues -- 0.92707 0.93344 0.93344 0.93344 0.96989
Alpha virt. eigenvalues -- 0.96989 1.04179 1.04179 1.04179 1.08621
Alpha virt. eigenvalues -- 1.08621 1.08621 1.10393 1.10393 1.10393
Alpha virt. eigenvalues -- 1.11889 1.11889 1.26446 1.26446 1.27220
Alpha virt. eigenvalues -- 1.27251 1.27251 1.27251 1.40979 1.40979
Alpha virt. eigenvalues -- 1.40979 1.46170 1.61911 1.61911 1.61911
Alpha virt. eigenvalues -- 1.74572 1.74572 1.74572 1.78596 1.88849
Alpha virt. eigenvalues -- 1.88849 1.88849 1.92795 1.92795 1.92795
Alpha virt. eigenvalues -- 2.04571 2.18543 2.18543 2.18543 2.24047
Alpha virt. eigenvalues -- 2.24047 2.32076 2.32076 2.32076 2.71908
Alpha virt. eigenvalues -- 3.42190 3.42190 3.42190 3.48897 3.48897
Alpha virt. eigenvalues -- 3.57638 3.57638 3.57638 3.70559 3.70559
Alpha virt. eigenvalues -- 3.70559 3.89927 3.89927 3.89927 3.93027
Alpha virt. eigenvalues -- 4.06828 4.06828 4.06828 4.11718 4.11718
Alpha virt. eigenvalues -- 4.12720 4.12720 4.12720 4.28074 4.60015
Alpha virt. eigenvalues -- 4.60015 4.60015 4.75846 4.75846 4.85681
Alpha virt. eigenvalues -- 4.85681 4.85681 4.94539 4.94539 4.94539
Alpha virt. eigenvalues -- 5.15556 5.15556 5.15556 5.23089 5.63617
Alpha virt. eigenvalues -- 5.63617 5.63617 5.81373 5.81373 5.83358
Alpha virt. eigenvalues -- 5.83358 5.83358 5.94629 6.69324 6.69324
Alpha virt. eigenvalues -- 6.69324 7.38463 7.38463 7.38463 7.58408
Alpha virt. eigenvalues -- 8.88241 10.44953 10.44953 10.44953 31.91718
Molecular Orbital Coefficients:
1 2 3 4 5
(A1)--O (A1)--O (T2)--O (T2)--O (T2)--O
Eigenvalues -- -11.20629 -0.94273 -0.54479 -0.54479 -0.54479
1 1 C 1S 0.97894 -0.17746 0.00000 0.00000 0.00000
2 2S -0.00648 0.43308 0.00000 0.00000 0.00000
3 3S 0.04930 0.10178 0.00000 0.00000 0.00000
4 4S -0.04710 0.33008 0.00000 0.00000 0.00000
5 5S -0.00261 -0.01704 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.00000 0.23961 0.00000
7 6PY 0.00000 0.00000 0.00000 0.00000 0.23961
8 6PZ 0.00000 0.00000 0.23961 0.00000 0.00000
9 7PX 0.00000 0.00000 0.00000 0.31069 0.00000
10 7PY 0.00000 0.00000 0.00000 0.00000 0.31069
11 7PZ 0.00000 0.00000 0.31069 0.00000 0.00000
12 8PX 0.00000 0.00000 0.00000 0.13624 0.00000
13 8PY 0.00000 0.00000 0.00000 0.00000 0.13624
14 8PZ 0.00000 0.00000 0.13624 0.00000 0.00000
15 9PX 0.00000 0.00000 0.00000 0.00960 0.00000
16 9PY 0.00000 0.00000 0.00000 0.00000 0.00960
17 9PZ 0.00000 0.00000 0.00960 0.00000 0.00000
18 10XX 0.00184 0.00327 0.00000 0.00000 0.00000
19 10YY 0.00184 0.00327 0.00000 0.00000 0.00000
20 10ZZ 0.00184 0.00327 0.00000 0.00000 0.00000
21 10XY 0.00000 0.00000 0.01856 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.00000 0.00000 0.01856
23 10YZ 0.00000 0.00000 0.00000 0.01856 0.00000
24 11XX 0.01066 0.01240 0.00000 0.00000 0.00000
25 11YY 0.01066 0.01240 0.00000 0.00000 0.00000
26 11ZZ 0.01066 0.01240 0.00000 0.00000 0.00000
27 11XY 0.00000 0.00000 0.05954 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 0.00000 0.05954
29 11YZ 0.00000 0.00000 0.00000 0.05954 0.00000
30 12XX -0.00201 0.02778 0.00000 0.00000 0.00000
31 12YY -0.00201 0.02778 0.00000 0.00000 0.00000
32 12ZZ -0.00201 0.02778 0.00000 0.00000 0.00000
33 12XY 0.00000 0.00000 0.01571 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.00000 0.00000 0.01571
35 12YZ 0.00000 0.00000 0.00000 0.01571 0.00000
36 13XXX 0.00000 0.00000 0.00000 0.01180 0.00000
37 13YYY 0.00000 0.00000 0.00000 0.00000 0.01180
38 13ZZZ 0.00000 0.00000 0.01180 0.00000 0.00000
39 13XYY 0.00000 0.00000 0.00000 0.00770 0.00000
40 13XXY 0.00000 0.00000 0.00000 0.00000 0.00770
41 13XXZ 0.00000 0.00000 0.00770 0.00000 0.00000
42 13XZZ 0.00000 0.00000 0.00000 0.00770 0.00000
43 13YZZ 0.00000 0.00000 0.00000 0.00000 0.00770
44 13YYZ 0.00000 0.00000 0.00770 0.00000 0.00000
45 13XYZ 0.00085 0.00646 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.00000 0.00000 0.01909 0.00000
47 14YYY 0.00000 0.00000 0.00000 0.00000 0.01909
48 14ZZZ 0.00000 0.00000 0.01909 0.00000 0.00000
49 14XYY 0.00000 0.00000 0.00000 0.02177 0.00000
50 14XXY 0.00000 0.00000 0.00000 0.00000 0.02177
51 14XXZ 0.00000 0.00000 0.02177 0.00000 0.00000
52 14XZZ 0.00000 0.00000 0.00000 0.02177 0.00000
53 14YZZ 0.00000 0.00000 0.00000 0.00000 0.02177
54 14YYZ 0.00000 0.00000 0.02177 0.00000 0.00000
55 14XYZ 0.00076 0.00537 0.00000 0.00000 0.00000
56 2 H 1S 0.00045 0.08411 0.10267 0.10267 0.10267
57 2S -0.00491 0.08541 0.11017 0.11017 0.11017
58 3S 0.01022 -0.04539 0.02176 0.02176 0.02176
59 4S 0.00020 0.00077 -0.00308 -0.00308 -0.00308
60 5PX 0.00004 -0.00523 -0.00607 -0.00124 -0.00607
61 5PY 0.00004 -0.00523 -0.00607 -0.00607 -0.00124
62 5PZ 0.00004 -0.00523 -0.00124 -0.00607 -0.00607
63 6PX 0.00102 -0.00018 -0.00093 0.01379 -0.00093
64 6PY 0.00102 -0.00018 -0.00093 -0.00093 0.01379
65 6PZ 0.00102 -0.00018 0.01379 -0.00093 -0.00093
66 7PX -0.00141 0.00920 0.00372 0.01005 0.00372
67 7PY -0.00141 0.00920 0.00372 0.00372 0.01005
68 7PZ -0.00141 0.00920 0.01005 0.00372 0.00372
69 8XX 0.00003 0.00132 0.00170 -0.00047 0.00170
70 8YY 0.00003 0.00132 0.00170 0.00170 -0.00047
71 8ZZ 0.00003 0.00132 -0.00047 0.00170 0.00170
72 8XY -0.00014 0.00099 0.00159 0.00042 0.00042
73 8XZ -0.00014 0.00099 0.00042 0.00042 0.00159
74 8YZ -0.00014 0.00099 0.00042 0.00159 0.00042
75 9XX -0.00004 0.00352 0.00455 0.00402 0.00455
76 9YY -0.00004 0.00352 0.00455 0.00455 0.00402
77 9ZZ -0.00004 0.00352 0.00402 0.00455 0.00455
78 9XY 0.00002 -0.00257 0.00010 -0.00213 -0.00213
79 9XZ 0.00002 -0.00257 -0.00213 -0.00213 0.00010
80 9YZ 0.00002 -0.00257 -0.00213 0.00010 -0.00213
81 3 H 1S 0.00045 0.08411 0.10267 -0.10267 -0.10267
82 2S -0.00491 0.08541 0.11017 -0.11017 -0.11017
83 3S 0.01022 -0.04539 0.02176 -0.02176 -0.02176
84 4S 0.00020 0.00077 -0.00308 0.00308 0.00308
85 5PX -0.00004 0.00523 0.00607 -0.00124 -0.00607
86 5PY -0.00004 0.00523 0.00607 -0.00607 -0.00124
87 5PZ 0.00004 -0.00523 -0.00124 0.00607 0.00607
88 6PX -0.00102 0.00018 0.00093 0.01379 -0.00093
89 6PY -0.00102 0.00018 0.00093 -0.00093 0.01379
90 6PZ 0.00102 -0.00018 0.01379 0.00093 0.00093
91 7PX 0.00141 -0.00920 -0.00372 0.01005 0.00372
92 7PY 0.00141 -0.00920 -0.00372 0.00372 0.01005
93 7PZ -0.00141 0.00920 0.01005 -0.00372 -0.00372
94 8XX 0.00003 0.00132 0.00170 0.00047 -0.00170
95 8YY 0.00003 0.00132 0.00170 -0.00170 0.00047
96 8ZZ 0.00003 0.00132 -0.00047 -0.00170 -0.00170
97 8XY -0.00014 0.00099 0.00159 -0.00042 -0.00042
98 8XZ 0.00014 -0.00099 -0.00042 0.00042 0.00159
99 8YZ 0.00014 -0.00099 -0.00042 0.00159 0.00042
100 9XX -0.00004 0.00352 0.00455 -0.00402 -0.00455
101 9YY -0.00004 0.00352 0.00455 -0.00455 -0.00402
102 9ZZ -0.00004 0.00352 0.00402 -0.00455 -0.00455
103 9XY 0.00002 -0.00257 0.00010 0.00213 0.00213
104 9XZ -0.00002 0.00257 0.00213 -0.00213 0.00010
105 9YZ -0.00002 0.00257 0.00213 0.00010 -0.00213
106 4 H 1S 0.00045 0.08411 -0.10267 -0.10267 0.10267
107 2S -0.00491 0.08541 -0.11017 -0.11017 0.11017
108 3S 0.01022 -0.04539 -0.02176 -0.02176 0.02176
109 4S 0.00020 0.00077 0.00308 0.00308 -0.00308
110 5PX -0.00004 0.00523 -0.00607 -0.00124 0.00607
111 5PY 0.00004 -0.00523 0.00607 0.00607 -0.00124
112 5PZ -0.00004 0.00523 -0.00124 -0.00607 0.00607
113 6PX -0.00102 0.00018 -0.00093 0.01379 0.00093
114 6PY 0.00102 -0.00018 0.00093 0.00093 0.01379
115 6PZ -0.00102 0.00018 0.01379 -0.00093 0.00093
116 7PX 0.00141 -0.00920 0.00372 0.01005 -0.00372
117 7PY -0.00141 0.00920 -0.00372 -0.00372 0.01005
118 7PZ 0.00141 -0.00920 0.01005 0.00372 -0.00372
119 8XX 0.00003 0.00132 -0.00170 0.00047 0.00170
120 8YY 0.00003 0.00132 -0.00170 -0.00170 -0.00047
121 8ZZ 0.00003 0.00132 0.00047 -0.00170 0.00170
122 8XY 0.00014 -0.00099 0.00159 0.00042 -0.00042
123 8XZ -0.00014 0.00099 -0.00042 -0.00042 0.00159
124 8YZ 0.00014 -0.00099 0.00042 0.00159 -0.00042
125 9XX -0.00004 0.00352 -0.00455 -0.00402 0.00455
126 9YY -0.00004 0.00352 -0.00455 -0.00455 0.00402
127 9ZZ -0.00004 0.00352 -0.00402 -0.00455 0.00455
128 9XY -0.00002 0.00257 0.00010 -0.00213 0.00213
129 9XZ 0.00002 -0.00257 0.00213 0.00213 0.00010
130 9YZ -0.00002 0.00257 -0.00213 0.00010 0.00213
131 5 H 1S 0.00045 0.08411 -0.10267 0.10267 -0.10267
132 2S -0.00491 0.08541 -0.11017 0.11017 -0.11017
133 3S 0.01022 -0.04539 -0.02176 0.02176 -0.02176
134 4S 0.00020 0.00077 0.00308 -0.00308 0.00308
135 5PX 0.00004 -0.00523 0.00607 -0.00124 0.00607
136 5PY -0.00004 0.00523 -0.00607 0.00607 -0.00124
137 5PZ -0.00004 0.00523 -0.00124 0.00607 -0.00607
138 6PX 0.00102 -0.00018 0.00093 0.01379 0.00093
139 6PY -0.00102 0.00018 -0.00093 0.00093 0.01379
140 6PZ -0.00102 0.00018 0.01379 0.00093 -0.00093
141 7PX -0.00141 0.00920 -0.00372 0.01005 -0.00372
142 7PY 0.00141 -0.00920 0.00372 -0.00372 0.01005
143 7PZ 0.00141 -0.00920 0.01005 -0.00372 0.00372
144 8XX 0.00003 0.00132 -0.00170 -0.00047 -0.00170
145 8YY 0.00003 0.00132 -0.00170 0.00170 0.00047
146 8ZZ 0.00003 0.00132 0.00047 0.00170 -0.00170
147 8XY 0.00014 -0.00099 0.00159 -0.00042 0.00042
148 8XZ 0.00014 -0.00099 0.00042 -0.00042 0.00159
149 8YZ -0.00014 0.00099 -0.00042 0.00159 -0.00042
150 9XX -0.00004 0.00352 -0.00455 0.00402 -0.00455
151 9YY -0.00004 0.00352 -0.00455 0.00455 -0.00402
152 9ZZ -0.00004 0.00352 -0.00402 0.00455 -0.00455
153 9XY -0.00002 0.00257 0.00010 0.00213 -0.00213
154 9XZ -0.00002 0.00257 -0.00213 0.00213 0.00010
155 9YZ 0.00002 -0.00257 0.00213 0.00010 0.00213
6 7 8 9 10
(A1)--V (T2)--V (T2)--V (T2)--V (T2)--V
Eigenvalues -- 0.02908 0.04987 0.04987 0.04987 0.12005
1 1 C 1S 0.02501 0.00000 0.00000 0.00000 0.00000
2 2S -0.06594 0.00000 0.00000 0.00000 0.00000
3 3S 0.02760 0.00000 0.00000 0.00000 0.00000
4 4S 10.52637 0.00000 0.00000 0.00000 0.00000
5 5S -6.62516 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 -0.02420 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 -0.02420 0.00000 -0.03693
8 6PZ 0.00000 0.00000 0.00000 -0.02420 0.00000
9 7PX 0.00000 0.27525 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.27525 0.00000 -1.10180
11 7PZ 0.00000 0.00000 0.00000 0.27525 0.00000
12 8PX 0.00000 -3.31454 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 -3.31454 0.00000 6.70324
14 8PZ 0.00000 0.00000 0.00000 -3.31454 0.00000
15 9PX 0.00000 -2.19302 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 -2.19302 0.00000 5.28635
17 9PZ 0.00000 0.00000 0.00000 -2.19302 0.00000
18 10XX 0.00548 0.00000 0.00000 0.00000 0.00000
19 10YY 0.00548 0.00000 0.00000 0.00000 0.00000
20 10ZZ 0.00548 0.00000 0.00000 0.00000 0.00000
21 10XY 0.00000 0.00000 0.00000 -0.00333 0.00000
22 10XZ 0.00000 0.00000 -0.00333 0.00000 -0.01213
23 10YZ 0.00000 -0.00333 0.00000 0.00000 0.00000
24 11XX 0.05006 0.00000 0.00000 0.00000 0.00000
25 11YY 0.05006 0.00000 0.00000 0.00000 0.00000
26 11ZZ 0.05006 0.00000 0.00000 0.00000 0.00000
27 11XY 0.00000 0.00000 0.00000 0.09783 0.00000
28 11XZ 0.00000 0.00000 0.09783 0.00000 -0.43522
29 11YZ 0.00000 0.09783 0.00000 0.00000 0.00000
30 12XX 2.57259 0.00000 0.00000 0.00000 0.00000
31 12YY 2.57259 0.00000 0.00000 0.00000 0.00000
32 12ZZ 2.57259 0.00000 0.00000 0.00000 0.00000
33 12XY 0.00000 0.00000 0.00000 -0.56754 0.00000
34 12XZ 0.00000 0.00000 -0.56754 0.00000 1.04774
35 12YZ 0.00000 -0.56754 0.00000 0.00000 0.00000
36 13XXX 0.00000 0.01012 0.00000 0.00000 0.00000
37 13YYY 0.00000 0.00000 0.01012 0.00000 -0.02504
38 13ZZZ 0.00000 0.00000 0.00000 0.01012 0.00000
39 13XYY 0.00000 0.00740 0.00000 0.00000 0.00000
40 13XXY 0.00000 0.00000 0.00740 0.00000 -0.02856
41 13XXZ 0.00000 0.00000 0.00000 0.00740 0.00000
42 13XZZ 0.00000 0.00740 0.00000 0.00000 0.00000
43 13YZZ 0.00000 0.00000 0.00740 0.00000 -0.02856
44 13YYZ 0.00000 0.00000 0.00000 0.00740 0.00000
45 13XYZ -0.00571 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.33033 0.00000 0.00000 0.00000
47 14YYY 0.00000 0.00000 0.33033 0.00000 -0.82066
48 14ZZZ 0.00000 0.00000 0.00000 0.33033 0.00000
49 14XYY 0.00000 0.20103 0.00000 0.00000 0.00000
50 14XXY 0.00000 0.00000 0.20103 0.00000 -0.51987
51 14XXZ 0.00000 0.00000 0.00000 0.20103 0.00000
52 14XZZ 0.00000 0.20103 0.00000 0.00000 0.00000
53 14YZZ 0.00000 0.00000 0.20103 0.00000 -0.51987
54 14YYZ 0.00000 0.00000 0.00000 0.20103 0.00000
55 14XYZ -0.01106 0.00000 0.00000 0.00000 0.00000
56 2 H 1S -0.00250 -0.00157 -0.00157 -0.00157 -0.00680
57 2S 0.23969 -0.09810 -0.09810 -0.09810 0.67140
58 3S -3.40084 2.71712 2.71712 2.71712 -5.65948
59 4S 1.00859 3.67200 3.67200 3.67200 -4.31031
60 5PX 0.00016 0.00063 0.00162 0.00162 0.00061
61 5PY 0.00016 0.00162 0.00063 0.00162 0.00282
62 5PZ 0.00016 0.00162 0.00162 0.00063 0.00061
63 6PX -0.00441 0.02907 0.01106 0.01106 -0.11293
64 6PY -0.00441 0.01106 0.02907 0.01106 -0.16671
65 6PZ -0.00441 0.01106 0.01106 0.02907 -0.11293
66 7PX 0.44633 -0.31919 -0.44944 -0.44944 0.64119
67 7PY 0.44633 -0.44944 -0.31919 -0.44944 0.07685
68 7PZ 0.44633 -0.44944 -0.44944 -0.31919 0.64119
69 8XX 0.00012 0.00170 0.00324 0.00324 0.00699
70 8YY 0.00012 0.00324 0.00170 0.00324 0.01093
71 8ZZ 0.00012 0.00324 0.00324 0.00170 0.00699
72 8XY 0.00139 -0.00051 -0.00051 -0.00030 0.00461
73 8XZ 0.00139 -0.00051 -0.00030 -0.00051 0.00487
74 8YZ 0.00139 -0.00030 -0.00051 -0.00051 0.00461
75 9XX 0.07116 0.04108 0.03431 0.03431 0.09235
76 9YY 0.07116 0.03431 0.04108 0.03431 0.10907
77 9ZZ 0.07116 0.03431 0.03431 0.04108 0.09235
78 9XY -0.01392 0.00118 0.00118 0.01588 0.05985
79 9XZ -0.01392 0.00118 0.01588 0.00118 -0.00165
80 9YZ -0.01392 0.01588 0.00118 0.00118 0.05985
81 3 H 1S -0.00250 0.00157 0.00157 -0.00157 0.00680
82 2S 0.23969 0.09810 0.09810 -0.09810 -0.67140
83 3S -3.40084 -2.71712 -2.71712 2.71712 5.65948
84 4S 1.00859 -3.67200 -3.67200 3.67200 4.31031
85 5PX -0.00016 0.00063 0.00162 -0.00162 0.00061
86 5PY -0.00016 0.00162 0.00063 -0.00162 0.00282
87 5PZ 0.00016 -0.00162 -0.00162 0.00063 -0.00061
88 6PX 0.00441 0.02907 0.01106 -0.01106 -0.11293
89 6PY 0.00441 0.01106 0.02907 -0.01106 -0.16671
90 6PZ -0.00441 -0.01106 -0.01106 0.02907 0.11293
91 7PX -0.44633 -0.31919 -0.44944 0.44944 0.64119
92 7PY -0.44633 -0.44944 -0.31919 0.44944 0.07685
93 7PZ 0.44633 0.44944 0.44944 -0.31919 -0.64119
94 8XX 0.00012 -0.00170 -0.00324 0.00324 -0.00699
95 8YY 0.00012 -0.00324 -0.00170 0.00324 -0.01093
96 8ZZ 0.00012 -0.00324 -0.00324 0.00170 -0.00699
97 8XY 0.00139 0.00051 0.00051 -0.00030 -0.00461
98 8XZ -0.00139 -0.00051 -0.00030 0.00051 0.00487
99 8YZ -0.00139 -0.00030 -0.00051 0.00051 0.00461
100 9XX 0.07116 -0.04108 -0.03431 0.03431 -0.09235
101 9YY 0.07116 -0.03431 -0.04108 0.03431 -0.10907
102 9ZZ 0.07116 -0.03431 -0.03431 0.04108 -0.09235
103 9XY -0.01392 -0.00118 -0.00118 0.01588 -0.05985
104 9XZ 0.01392 0.00118 0.01588 -0.00118 -0.00165
105 9YZ 0.01392 0.01588 0.00118 -0.00118 0.05985
106 4 H 1S -0.00250 0.00157 -0.00157 0.00157 -0.00680
107 2S 0.23969 0.09810 -0.09810 0.09810 0.67140
108 3S -3.40084 -2.71712 2.71712 -2.71712 -5.65948
109 4S 1.00859 -3.67200 3.67200 -3.67200 -4.31031
110 5PX -0.00016 0.00063 -0.00162 0.00162 -0.00061
111 5PY 0.00016 -0.00162 0.00063 -0.00162 0.00282
112 5PZ -0.00016 0.00162 -0.00162 0.00063 -0.00061
113 6PX 0.00441 0.02907 -0.01106 0.01106 0.11293
114 6PY -0.00441 -0.01106 0.02907 -0.01106 -0.16671
115 6PZ 0.00441 0.01106 -0.01106 0.02907 0.11293
116 7PX -0.44633 -0.31919 0.44944 -0.44944 -0.64119
117 7PY 0.44633 0.44944 -0.31919 0.44944 0.07685
118 7PZ -0.44633 -0.44944 0.44944 -0.31919 -0.64119
119 8XX 0.00012 -0.00170 0.00324 -0.00324 0.00699
120 8YY 0.00012 -0.00324 0.00170 -0.00324 0.01093
121 8ZZ 0.00012 -0.00324 0.00324 -0.00170 0.00699
122 8XY -0.00139 -0.00051 0.00051 -0.00030 -0.00461
123 8XZ 0.00139 0.00051 -0.00030 0.00051 0.00487
124 8YZ -0.00139 -0.00030 0.00051 -0.00051 -0.00461
125 9XX 0.07116 -0.04108 0.03431 -0.03431 0.09235
126 9YY 0.07116 -0.03431 0.04108 -0.03431 0.10907
127 9ZZ 0.07116 -0.03431 0.03431 -0.04108 0.09235
128 9XY 0.01392 0.00118 -0.00118 0.01588 -0.05985
129 9XZ -0.01392 -0.00118 0.01588 -0.00118 -0.00165
130 9YZ 0.01392 0.01588 -0.00118 0.00118 -0.05985
131 5 H 1S -0.00250 -0.00157 0.00157 0.00157 0.00680
132 2S 0.23969 -0.09810 0.09810 0.09810 -0.67140
133 3S -3.40084 2.71712 -2.71712 -2.71712 5.65948
134 4S 1.00859 3.67200 -3.67200 -3.67200 4.31031
135 5PX 0.00016 0.00063 -0.00162 -0.00162 -0.00061
136 5PY -0.00016 -0.00162 0.00063 0.00162 0.00282
137 5PZ -0.00016 -0.00162 0.00162 0.00063 0.00061
138 6PX -0.00441 0.02907 -0.01106 -0.01106 0.11293
139 6PY 0.00441 -0.01106 0.02907 0.01106 -0.16671
140 6PZ 0.00441 -0.01106 0.01106 0.02907 -0.11293
141 7PX 0.44633 -0.31919 0.44944 0.44944 -0.64119
142 7PY -0.44633 0.44944 -0.31919 -0.44944 0.07685
143 7PZ -0.44633 0.44944 -0.44944 -0.31919 0.64119
144 8XX 0.00012 0.00170 -0.00324 -0.00324 -0.00699
145 8YY 0.00012 0.00324 -0.00170 -0.00324 -0.01093
146 8ZZ 0.00012 0.00324 -0.00324 -0.00170 -0.00699
147 8XY -0.00139 0.00051 -0.00051 -0.00030 0.00461
148 8XZ -0.00139 0.00051 -0.00030 -0.00051 0.00487
149 8YZ 0.00139 -0.00030 0.00051 0.00051 -0.00461
150 9XX 0.07116 0.04108 -0.03431 -0.03431 -0.09235
151 9YY 0.07116 0.03431 -0.04108 -0.03431 -0.10907
152 9ZZ 0.07116 0.03431 -0.03431 -0.04108 -0.09235
153 9XY 0.01392 -0.00118 0.00118 0.01588 0.05985
154 9XZ 0.01392 -0.00118 0.01588 0.00118 -0.00165
155 9YZ -0.01392 0.01588 -0.00118 -0.00118 -0.05985
11 12 13 14 15
(T2)--V (T2)--V (A1)--V (T2)--V (T2)--V
Eigenvalues -- 0.12005 0.12005 0.12956 0.21909 0.21909
1 1 C 1S 0.00000 0.00000 -0.05079 0.00000 0.00000
2 2S 0.00000 0.00000 0.14284 0.00000 0.00000
3 3S 0.00000 0.00000 0.12567 0.00000 0.00000
4 4S 0.00000 0.00000 31.71930 0.00000 0.00000
5 5S 0.00000 0.00000 -16.11987 0.00000 0.00000
6 6PX -0.03693 0.00000 0.00000 0.00000 -0.11172
7 6PY 0.00000 0.00000 0.00000 -0.11172 0.00000
8 6PZ 0.00000 -0.03693 0.00000 0.00000 0.00000
9 7PX -1.10180 0.00000 0.00000 0.00000 -0.60371
10 7PY 0.00000 0.00000 0.00000 -0.60371 0.00000
11 7PZ 0.00000 -1.10180 0.00000 0.00000 0.00000
12 8PX 6.70324 0.00000 0.00000 0.00000 8.85629
13 8PY 0.00000 0.00000 0.00000 8.85629 0.00000
14 8PZ 0.00000 6.70324 0.00000 0.00000 0.00000
15 9PX 5.28635 0.00000 0.00000 0.00000 1.80797
16 9PY 0.00000 0.00000 0.00000 1.80797 0.00000
17 9PZ 0.00000 5.28635 0.00000 0.00000 0.00000
18 10XX 0.00000 0.00000 0.01277 0.00000 0.00000
19 10YY 0.00000 0.00000 0.01277 0.00000 0.00000
20 10ZZ 0.00000 0.00000 0.01277 0.00000 0.00000
21 10XY 0.00000 -0.01213 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.00000 0.02114 0.00000
23 10YZ -0.01213 0.00000 0.00000 0.00000 0.02114
24 11XX 0.00000 0.00000 0.10190 0.00000 0.00000
25 11YY 0.00000 0.00000 0.10190 0.00000 0.00000
26 11ZZ 0.00000 0.00000 0.10190 0.00000 0.00000
27 11XY 0.00000 -0.43522 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 -0.06868 0.00000
29 11YZ -0.43522 0.00000 0.00000 0.00000 -0.06868
30 12XX 0.00000 0.00000 7.36370 0.00000 0.00000
31 12YY 0.00000 0.00000 7.36370 0.00000 0.00000
32 12ZZ 0.00000 0.00000 7.36370 0.00000 0.00000
33 12XY 0.00000 1.04774 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.00000 1.64154 0.00000
35 12YZ 1.04774 0.00000 0.00000 0.00000 1.64154
36 13XXX -0.02504 0.00000 0.00000 0.00000 -0.03082
37 13YYY 0.00000 0.00000 0.00000 -0.03082 0.00000
38 13ZZZ 0.00000 -0.02504 0.00000 0.00000 0.00000
39 13XYY -0.02856 0.00000 0.00000 0.00000 -0.01303
40 13XXY 0.00000 0.00000 0.00000 -0.01303 0.00000
41 13XXZ 0.00000 -0.02856 0.00000 0.00000 0.00000
42 13XZZ -0.02856 0.00000 0.00000 0.00000 -0.01303
43 13YZZ 0.00000 0.00000 0.00000 -0.01303 0.00000
44 13YYZ 0.00000 -0.02856 0.00000 0.00000 0.00000
45 13XYZ 0.00000 0.00000 -0.01065 0.00000 0.00000
46 14XXX -0.82066 0.00000 0.00000 0.00000 -0.75511
47 14YYY 0.00000 0.00000 0.00000 -0.75511 0.00000
48 14ZZZ 0.00000 -0.82066 0.00000 0.00000 0.00000
49 14XYY -0.51987 0.00000 0.00000 0.00000 -0.44174
50 14XXY 0.00000 0.00000 0.00000 -0.44174 0.00000
51 14XXZ 0.00000 -0.51987 0.00000 0.00000 0.00000
52 14XZZ -0.51987 0.00000 0.00000 0.00000 -0.44174
53 14YZZ 0.00000 0.00000 0.00000 -0.44174 0.00000
54 14YYZ 0.00000 -0.51987 0.00000 0.00000 0.00000
55 14XYZ 0.00000 0.00000 -0.02071 0.00000 0.00000
56 2 H 1S -0.00680 -0.00680 0.00246 -0.01591 -0.01591
57 2S 0.67140 0.67140 0.60907 -0.21544 -0.21544
58 3S -5.65948 -5.65948 -9.99228 -7.37509 -7.37509
59 4S -4.31031 -4.31031 1.45385 -2.23506 -2.23506
60 5PX 0.00282 0.00061 -0.00462 0.00045 -0.00238
61 5PY 0.00061 0.00061 -0.00462 -0.00238 0.00045
62 5PZ 0.00061 0.00282 -0.00462 0.00045 0.00045
63 6PX -0.16671 -0.11293 -0.01418 0.05999 0.00906
64 6PY -0.11293 -0.11293 -0.01418 0.00906 0.05999
65 6PZ -0.11293 -0.16671 -0.01418 0.05999 0.05999
66 7PX 0.07685 0.64119 1.30549 1.61805 1.45627
67 7PY 0.64119 0.64119 1.30549 1.45627 1.61805
68 7PZ 0.64119 0.07685 1.30549 1.61805 1.61805
69 8XX 0.01093 0.00699 0.00049 -0.01893 -0.01306
70 8YY 0.00699 0.00699 0.00049 -0.01306 -0.01893
71 8ZZ 0.00699 0.01093 0.00049 -0.01893 -0.01893
72 8XY 0.00461 0.00487 0.00394 -0.00149 -0.00149
73 8XZ 0.00461 0.00461 0.00394 -0.00396 -0.00149
74 8YZ 0.00487 0.00461 0.00394 -0.00149 -0.00396
75 9XX 0.10907 0.09235 0.18847 -0.24090 -0.27032
76 9YY 0.09235 0.09235 0.18847 -0.27032 -0.24090
77 9ZZ 0.09235 0.10907 0.18847 -0.24090 -0.24090
78 9XY 0.05985 -0.00165 -0.04124 -0.05182 -0.05182
79 9XZ 0.05985 0.05985 -0.04124 -0.06392 -0.05182
80 9YZ -0.00165 0.05985 -0.04124 -0.05182 -0.06392
81 3 H 1S 0.00680 -0.00680 0.00246 0.01591 0.01591
82 2S -0.67140 0.67140 0.60907 0.21544 0.21544
83 3S 5.65948 -5.65948 -9.99228 7.37509 7.37509
84 4S 4.31031 -4.31031 1.45385 2.23506 2.23506
85 5PX 0.00282 -0.00061 0.00462 0.00045 -0.00238
86 5PY 0.00061 -0.00061 0.00462 -0.00238 0.00045
87 5PZ -0.00061 0.00282 -0.00462 -0.00045 -0.00045
88 6PX -0.16671 0.11293 0.01418 0.05999 0.00906
89 6PY -0.11293 0.11293 0.01418 0.00906 0.05999
90 6PZ 0.11293 -0.16671 -0.01418 -0.05999 -0.05999
91 7PX 0.07685 -0.64119 -1.30549 1.61805 1.45627
92 7PY 0.64119 -0.64119 -1.30549 1.45627 1.61805
93 7PZ -0.64119 0.07685 1.30549 -1.61805 -1.61805
94 8XX -0.01093 0.00699 0.00049 0.01893 0.01306
95 8YY -0.00699 0.00699 0.00049 0.01306 0.01893
96 8ZZ -0.00699 0.01093 0.00049 0.01893 0.01893
97 8XY -0.00461 0.00487 0.00394 0.00149 0.00149
98 8XZ 0.00461 -0.00461 -0.00394 -0.00396 -0.00149
99 8YZ 0.00487 -0.00461 -0.00394 -0.00149 -0.00396
100 9XX -0.10907 0.09235 0.18847 0.24090 0.27032
101 9YY -0.09235 0.09235 0.18847 0.27032 0.24090
102 9ZZ -0.09235 0.10907 0.18847 0.24090 0.24090
103 9XY -0.05985 -0.00165 -0.04124 0.05182 0.05182
104 9XZ 0.05985 -0.05985 0.04124 -0.06392 -0.05182
105 9YZ -0.00165 -0.05985 0.04124 -0.05182 -0.06392
106 4 H 1S 0.00680 0.00680 0.00246 -0.01591 0.01591
107 2S -0.67140 -0.67140 0.60907 -0.21544 0.21544
108 3S 5.65948 5.65948 -9.99228 -7.37509 7.37509
109 4S 4.31031 4.31031 1.45385 -2.23506 2.23506
110 5PX 0.00282 0.00061 0.00462 -0.00045 -0.00238
111 5PY -0.00061 -0.00061 -0.00462 -0.00238 -0.00045
112 5PZ 0.00061 0.00282 0.00462 -0.00045 0.00045
113 6PX -0.16671 -0.11293 0.01418 -0.05999 0.00906
114 6PY 0.11293 0.11293 -0.01418 0.00906 -0.05999
115 6PZ -0.11293 -0.16671 0.01418 -0.05999 0.05999
116 7PX 0.07685 0.64119 -1.30549 -1.61805 1.45627
117 7PY -0.64119 -0.64119 1.30549 1.45627 -1.61805
118 7PZ 0.64119 0.07685 -1.30549 -1.61805 1.61805
119 8XX -0.01093 -0.00699 0.00049 -0.01893 0.01306
120 8YY -0.00699 -0.00699 0.00049 -0.01306 0.01893
121 8ZZ -0.00699 -0.01093 0.00049 -0.01893 0.01893
122 8XY 0.00461 0.00487 -0.00394 0.00149 -0.00149
123 8XZ -0.00461 -0.00461 0.00394 -0.00396 0.00149
124 8YZ 0.00487 0.00461 -0.00394 0.00149 -0.00396
125 9XX -0.10907 -0.09235 0.18847 -0.24090 0.27032
126 9YY -0.09235 -0.09235 0.18847 -0.27032 0.24090
127 9ZZ -0.09235 -0.10907 0.18847 -0.24090 0.24090
128 9XY 0.05985 -0.00165 0.04124 0.05182 -0.05182
129 9XZ -0.05985 -0.05985 -0.04124 -0.06392 0.05182
130 9YZ -0.00165 0.05985 0.04124 0.05182 -0.06392
131 5 H 1S -0.00680 0.00680 0.00246 0.01591 -0.01591
132 2S 0.67140 -0.67140 0.60907 0.21544 -0.21544
133 3S -5.65948 5.65948 -9.99228 7.37509 -7.37509
134 4S -4.31031 4.31031 1.45385 2.23506 -2.23506
135 5PX 0.00282 -0.00061 -0.00462 -0.00045 -0.00238
136 5PY -0.00061 0.00061 0.00462 -0.00238 -0.00045
137 5PZ -0.00061 0.00282 0.00462 0.00045 -0.00045
138 6PX -0.16671 0.11293 -0.01418 -0.05999 0.00906
139 6PY 0.11293 -0.11293 0.01418 0.00906 -0.05999
140 6PZ 0.11293 -0.16671 0.01418 0.05999 -0.05999
141 7PX 0.07685 -0.64119 1.30549 -1.61805 1.45627
142 7PY -0.64119 0.64119 -1.30549 1.45627 -1.61805
143 7PZ -0.64119 0.07685 -1.30549 1.61805 -1.61805
144 8XX 0.01093 -0.00699 0.00049 0.01893 -0.01306
145 8YY 0.00699 -0.00699 0.00049 0.01306 -0.01893
146 8ZZ 0.00699 -0.01093 0.00049 0.01893 -0.01893
147 8XY -0.00461 0.00487 -0.00394 -0.00149 0.00149
148 8XZ -0.00461 0.00461 -0.00394 -0.00396 0.00149
149 8YZ 0.00487 -0.00461 0.00394 0.00149 -0.00396
150 9XX 0.10907 -0.09235 0.18847 0.24090 -0.27032
151 9YY 0.09235 -0.09235 0.18847 0.27032 -0.24090
152 9ZZ 0.09235 -0.10907 0.18847 0.24090 -0.24090
153 9XY -0.05985 -0.00165 0.04124 -0.05182 0.05182
154 9XZ -0.05985 0.05985 0.04124 -0.06392 0.05182
155 9YZ -0.00165 -0.05985 -0.04124 0.05182 -0.06392
16 17 18 19 20
(T2)--V (E)--V (E)--V (A1)--V (T2)--V
Eigenvalues -- 0.21909 0.22298 0.22298 0.29222 0.32054
1 1 C 1S 0.00000 0.00000 0.00000 0.05698 0.00000
2 2S 0.00000 0.00000 0.00000 -0.07317 0.00000
3 3S 0.00000 0.00000 0.00000 -0.36857 0.00000
4 4S 0.00000 0.00000 0.00000 66.27813 0.00000
5 5S 0.00000 0.00000 0.00000 -16.45024 0.00000
6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.00000 0.00000 0.05929
8 6PZ -0.11172 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 -2.14847
11 7PZ -0.60371 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 14.17956
14 8PZ 8.85629 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 4.87446
17 9PZ 1.80797 0.00000 0.00000 0.00000 0.00000
18 10XX 0.00000 0.01788 0.02036 -0.04755 0.00000
19 10YY 0.00000 0.00869 -0.02566 -0.04755 0.00000
20 10ZZ 0.00000 -0.02657 0.00530 -0.04755 0.00000
21 10XY 0.02114 0.00000 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.00000 0.00000 0.00057
23 10YZ 0.00000 0.00000 0.00000 0.00000 0.00000
24 11XX 0.00000 -0.28902 -0.32913 -0.40919 0.00000
25 11YY 0.00000 -0.14052 0.41486 -0.40919 0.00000
26 11ZZ 0.00000 0.42954 -0.08574 -0.40919 0.00000
27 11XY -0.06868 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 0.00000 -0.92430
29 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000
30 12XX 0.00000 -2.81575 -3.20648 10.38473 0.00000
31 12YY 0.00000 -1.36902 4.04176 10.38473 0.00000
32 12ZZ 0.00000 4.18477 -0.83527 10.38473 0.00000
33 12XY 1.64154 0.00000 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.00000 0.00000 2.24236
35 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000
36 13XXX 0.00000 0.00000 0.00000 0.00000 0.00000
37 13YYY 0.00000 0.00000 0.00000 0.00000 -0.05117
38 13ZZZ -0.03082 0.00000 0.00000 0.00000 0.00000
39 13XYY 0.00000 0.00000 0.00000 0.00000 0.00000
40 13XXY 0.00000 0.00000 0.00000 0.00000 -0.05740
41 13XXZ -0.01303 0.00000 0.00000 0.00000 0.00000
42 13XZZ 0.00000 0.00000 0.00000 0.00000 0.00000
43 13YZZ 0.00000 0.00000 0.00000 0.00000 -0.05740
44 13YYZ -0.01303 0.00000 0.00000 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.03647 0.00000
46 14XXX 0.00000 0.00000 0.00000 0.00000 0.00000
47 14YYY 0.00000 0.00000 0.00000 0.00000 -1.60543
48 14ZZZ -0.75511 0.00000 0.00000 0.00000 0.00000
49 14XYY 0.00000 0.00000 0.00000 0.00000 0.00000
50 14XXY 0.00000 0.00000 0.00000 0.00000 -1.08893
51 14XXZ -0.44174 0.00000 0.00000 0.00000 0.00000
52 14XZZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 14YZZ 0.00000 0.00000 0.00000 0.00000 -1.08893
54 14YYZ -0.44174 0.00000 0.00000 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.21338 0.00000
56 2 H 1S -0.01591 0.00000 0.00000 0.00714 0.04315
57 2S -0.21544 0.00000 0.00000 -0.82909 1.30289
58 3S -7.37509 0.00000 0.00000 -17.03116 -9.17313
59 4S -2.23506 0.00000 0.00000 0.88253 -2.83938
60 5PX 0.00045 -0.00216 -0.00246 0.00213 -0.00147
61 5PY 0.00045 -0.00105 0.00311 0.00213 0.00065
62 5PZ -0.00238 0.00321 -0.00064 0.00213 -0.00147
63 6PX 0.05999 0.09587 0.10917 0.21743 -0.23718
64 6PY 0.05999 0.04661 -0.13761 0.21743 -0.40997
65 6PZ 0.00906 -0.14248 0.02844 0.21743 -0.23718
66 7PX 1.61805 1.61901 1.84367 3.24465 1.06419
67 7PY 1.61805 0.78716 -2.32394 3.24465 -0.70517
68 7PZ 1.45627 -2.40617 0.48027 3.24465 1.06419
69 8XX -0.01893 -0.00258 -0.00294 -0.00966 0.00971
70 8YY -0.01893 -0.00126 0.00371 -0.00966 0.01710
71 8ZZ -0.01306 0.00384 -0.00077 -0.00966 0.00971
72 8XY -0.00396 -0.00298 0.00060 -0.00871 0.00978
73 8XZ -0.00149 0.00098 -0.00288 -0.00871 0.01225
74 8YZ -0.00149 0.00201 0.00228 -0.00871 0.00978
75 9XX -0.24090 -0.09442 -0.10753 -0.12428 0.05237
76 9YY -0.24090 -0.04591 0.13554 -0.12428 0.11499
77 9ZZ -0.27032 0.14033 -0.02801 -0.12428 0.05237
78 9XY -0.06392 -0.13783 0.02751 -0.10532 0.16911
79 9XZ -0.05182 0.04509 -0.13312 -0.10532 -0.00260
80 9YZ -0.05182 0.09274 0.10561 -0.10532 0.16911
81 3 H 1S -0.01591 0.00000 0.00000 0.00714 -0.04315
82 2S -0.21544 0.00000 0.00000 -0.82909 -1.30289
83 3S -7.37509 0.00000 0.00000 -17.03116 9.17313
84 4S -2.23506 0.00000 0.00000 0.88253 2.83938
85 5PX -0.00045 0.00216 0.00246 -0.00213 -0.00147
86 5PY -0.00045 0.00105 -0.00311 -0.00213 0.00065
87 5PZ -0.00238 0.00321 -0.00064 0.00213 0.00147
88 6PX -0.05999 -0.09587 -0.10917 -0.21743 -0.23718
89 6PY -0.05999 -0.04661 0.13761 -0.21743 -0.40997
90 6PZ 0.00906 -0.14248 0.02844 0.21743 0.23718
91 7PX -1.61805 -1.61901 -1.84367 -3.24465 1.06419
92 7PY -1.61805 -0.78716 2.32394 -3.24465 -0.70517
93 7PZ 1.45627 -2.40617 0.48027 3.24465 -1.06419
94 8XX -0.01893 -0.00258 -0.00294 -0.00966 -0.00971
95 8YY -0.01893 -0.00126 0.00371 -0.00966 -0.01710
96 8ZZ -0.01306 0.00384 -0.00077 -0.00966 -0.00971
97 8XY -0.00396 -0.00298 0.00060 -0.00871 -0.00978
98 8XZ 0.00149 -0.00098 0.00288 0.00871 0.01225
99 8YZ 0.00149 -0.00201 -0.00228 0.00871 0.00978
100 9XX -0.24090 -0.09442 -0.10753 -0.12428 -0.05237
101 9YY -0.24090 -0.04591 0.13554 -0.12428 -0.11499
102 9ZZ -0.27032 0.14033 -0.02801 -0.12428 -0.05237
103 9XY -0.06392 -0.13783 0.02751 -0.10532 -0.16911
104 9XZ 0.05182 -0.04509 0.13312 0.10532 -0.00260
105 9YZ 0.05182 -0.09274 -0.10561 0.10532 0.16911
106 4 H 1S 0.01591 0.00000 0.00000 0.00714 0.04315
107 2S 0.21544 0.00000 0.00000 -0.82909 1.30289
108 3S 7.37509 0.00000 0.00000 -17.03116 -9.17313
109 4S 2.23506 0.00000 0.00000 0.88253 -2.83938
110 5PX 0.00045 0.00216 0.00246 -0.00213 0.00147
111 5PY -0.00045 -0.00105 0.00311 0.00213 0.00065
112 5PZ -0.00238 -0.00321 0.00064 -0.00213 0.00147
113 6PX 0.05999 -0.09587 -0.10917 -0.21743 0.23718
114 6PY -0.05999 0.04661 -0.13761 0.21743 -0.40997
115 6PZ 0.00906 0.14248 -0.02844 -0.21743 0.23718
116 7PX 1.61805 -1.61901 -1.84367 -3.24465 -1.06419
117 7PY -1.61805 0.78716 -2.32394 3.24465 -0.70517
118 7PZ 1.45627 2.40617 -0.48027 -3.24465 -1.06419
119 8XX 0.01893 -0.00258 -0.00294 -0.00966 0.00971
120 8YY 0.01893 -0.00126 0.00371 -0.00966 0.01710
121 8ZZ 0.01306 0.00384 -0.00077 -0.00966 0.00971
122 8XY -0.00396 0.00298 -0.00060 0.00871 -0.00978
123 8XZ 0.00149 0.00098 -0.00288 -0.00871 0.01225
124 8YZ -0.00149 -0.00201 -0.00228 0.00871 -0.00978
125 9XX 0.24090 -0.09442 -0.10753 -0.12428 0.05237
126 9YY 0.24090 -0.04591 0.13554 -0.12428 0.11499
127 9ZZ 0.27032 0.14033 -0.02801 -0.12428 0.05237
128 9XY -0.06392 0.13783 -0.02751 0.10532 -0.16911
129 9XZ 0.05182 0.04509 -0.13312 -0.10532 -0.00260
130 9YZ -0.05182 -0.09274 -0.10561 0.10532 -0.16911
131 5 H 1S 0.01591 0.00000 0.00000 0.00714 -0.04315
132 2S 0.21544 0.00000 0.00000 -0.82909 -1.30289
133 3S 7.37509 0.00000 0.00000 -17.03116 9.17313
134 4S 2.23506 0.00000 0.00000 0.88253 2.83938
135 5PX -0.00045 -0.00216 -0.00246 0.00213 0.00147
136 5PY 0.00045 0.00105 -0.00311 -0.00213 0.00065
137 5PZ -0.00238 -0.00321 0.00064 -0.00213 -0.00147
138 6PX -0.05999 0.09587 0.10917 0.21743 0.23718
139 6PY 0.05999 -0.04661 0.13761 -0.21743 -0.40997
140 6PZ 0.00906 0.14248 -0.02844 -0.21743 -0.23718
141 7PX -1.61805 1.61901 1.84367 3.24465 -1.06419
142 7PY 1.61805 -0.78716 2.32394 -3.24465 -0.70517
143 7PZ 1.45627 2.40617 -0.48027 -3.24465 1.06419
144 8XX 0.01893 -0.00258 -0.00294 -0.00966 -0.00971
145 8YY 0.01893 -0.00126 0.00371 -0.00966 -0.01710
146 8ZZ 0.01306 0.00384 -0.00077 -0.00966 -0.00971
147 8XY -0.00396 0.00298 -0.00060 0.00871 0.00978
148 8XZ -0.00149 -0.00098 0.00288 0.00871 0.01225
149 8YZ 0.00149 0.00201 0.00228 -0.00871 -0.00978
150 9XX 0.24090 -0.09442 -0.10753 -0.12428 -0.05237
151 9YY 0.24090 -0.04591 0.13554 -0.12428 -0.11499
152 9ZZ 0.27032 0.14033 -0.02801 -0.12428 -0.05237
153 9XY -0.06392 0.13783 -0.02751 0.10532 0.16911
154 9XZ -0.05182 -0.04509 0.13312 0.10532 -0.00260
155 9YZ 0.05182 0.09274 0.10561 -0.10532 -0.16911
21 22 23 24 25
(T2)--V (T2)--V (T1)--V (T1)--V (T1)--V
Eigenvalues -- 0.32054 0.32054 0.35395 0.35395 0.35395
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.05929 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
8 6PZ 0.05929 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 -2.14847 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
11 7PZ -2.14847 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 14.17956 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
14 8PZ 14.17956 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 4.87446 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
17 9PZ 4.87446 0.00000 0.00000 0.00000 0.00000
18 10XX 0.00000 0.00000 0.00000 0.00000 0.00000
19 10YY 0.00000 0.00000 0.00000 0.00000 0.00000
20 10ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 10XY 0.00057 0.00000 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 10YZ 0.00000 0.00057 0.00000 0.00000 0.00000
24 11XX 0.00000 0.00000 0.00000 0.00000 0.00000
25 11YY 0.00000 0.00000 0.00000 0.00000 0.00000
26 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
27 11XY -0.92430 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000
29 11YZ 0.00000 -0.92430 0.00000 0.00000 0.00000
30 12XX 0.00000 0.00000 0.00000 0.00000 0.00000
31 12YY 0.00000 0.00000 0.00000 0.00000 0.00000
32 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
33 12XY 2.24236 0.00000 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000
35 12YZ 0.00000 2.24236 0.00000 0.00000 0.00000
36 13XXX 0.00000 -0.05117 0.00000 0.00000 0.00000
37 13YYY 0.00000 0.00000 0.00000 0.00000 0.00000
38 13ZZZ -0.05117 0.00000 0.00000 0.00000 0.00000
39 13XYY 0.00000 -0.05740 0.00000 0.00852 0.00000
40 13XXY 0.00000 0.00000 0.00000 0.00000 0.00852
41 13XXZ -0.05740 0.00000 0.00852 0.00000 0.00000
42 13XZZ 0.00000 -0.05740 0.00000 -0.00852 0.00000
43 13YZZ 0.00000 0.00000 0.00000 0.00000 -0.00852
44 13YYZ -0.05740 0.00000 -0.00852 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 -1.60543 0.00000 0.00000 0.00000
47 14YYY 0.00000 0.00000 0.00000 0.00000 0.00000
48 14ZZZ -1.60543 0.00000 0.00000 0.00000 0.00000
49 14XYY 0.00000 -1.08893 0.00000 -0.34235 0.00000
50 14XXY 0.00000 0.00000 0.00000 0.00000 -0.34235
51 14XXZ -1.08893 0.00000 -0.34235 0.00000 0.00000
52 14XZZ 0.00000 -1.08893 0.00000 0.34235 0.00000
53 14YZZ 0.00000 0.00000 0.00000 0.00000 0.34235
54 14YYZ -1.08893 0.00000 0.34235 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S 0.04315 0.04315 0.00000 0.00000 0.00000
57 2S 1.30289 1.30289 0.00000 0.00000 0.00000
58 3S -9.17313 -9.17313 0.00000 0.00000 0.00000
59 4S -2.83938 -2.83938 0.00000 0.00000 0.00000
60 5PX -0.00147 0.00065 -0.00803 0.00000 -0.00803
61 5PY -0.00147 -0.00147 0.00803 -0.00803 0.00000
62 5PZ 0.00065 -0.00147 0.00000 0.00803 0.00803
63 6PX -0.23718 -0.40997 0.16786 0.00000 0.16786
64 6PY -0.23718 -0.23718 -0.16786 0.16786 0.00000
65 6PZ -0.40997 -0.23718 0.00000 -0.16786 -0.16786
66 7PX 1.06419 -0.70517 1.52503 0.00000 1.52503
67 7PY 1.06419 1.06419 -1.52503 1.52503 0.00000
68 7PZ -0.70517 1.06419 0.00000 -1.52503 -1.52503
69 8XX 0.00971 0.01710 0.00157 0.00000 0.00157
70 8YY 0.00971 0.00971 -0.00157 0.00157 0.00000
71 8ZZ 0.01710 0.00971 0.00000 -0.00157 -0.00157
72 8XY 0.01225 0.00978 0.00000 0.00667 0.00667
73 8XZ 0.00978 0.00978 0.00667 -0.00667 0.00000
74 8YZ 0.00978 0.01225 -0.00667 0.00000 -0.00667
75 9XX 0.05237 0.11499 -0.24566 0.00000 -0.24566
76 9YY 0.05237 0.05237 0.24566 -0.24566 0.00000
77 9ZZ 0.11499 0.05237 0.00000 0.24566 0.24566
78 9XY -0.00260 0.16911 0.00000 -0.15280 -0.15280
79 9XZ 0.16911 0.16911 -0.15280 0.15280 0.00000
80 9YZ 0.16911 -0.00260 0.15280 0.00000 0.15280
81 3 H 1S 0.04315 -0.04315 0.00000 0.00000 0.00000
82 2S 1.30289 -1.30289 0.00000 0.00000 0.00000
83 3S -9.17313 9.17313 0.00000 0.00000 0.00000
84 4S -2.83938 2.83938 0.00000 0.00000 0.00000
85 5PX 0.00147 0.00065 0.00803 0.00000 -0.00803
86 5PY 0.00147 -0.00147 -0.00803 -0.00803 0.00000
87 5PZ 0.00065 0.00147 0.00000 -0.00803 -0.00803
88 6PX 0.23718 -0.40997 -0.16786 0.00000 0.16786
89 6PY 0.23718 -0.23718 0.16786 0.16786 0.00000
90 6PZ -0.40997 0.23718 0.00000 0.16786 0.16786
91 7PX -1.06419 -0.70517 -1.52503 0.00000 1.52503
92 7PY -1.06419 1.06419 1.52503 1.52503 0.00000
93 7PZ -0.70517 -1.06419 0.00000 1.52503 1.52503
94 8XX 0.00971 -0.01710 0.00157 0.00000 -0.00157
95 8YY 0.00971 -0.00971 -0.00157 -0.00157 0.00000
96 8ZZ 0.01710 -0.00971 0.00000 0.00157 0.00157
97 8XY 0.01225 -0.00978 0.00000 -0.00667 -0.00667
98 8XZ -0.00978 0.00978 -0.00667 -0.00667 0.00000
99 8YZ -0.00978 0.01225 0.00667 0.00000 -0.00667
100 9XX 0.05237 -0.11499 -0.24566 0.00000 0.24566
101 9YY 0.05237 -0.05237 0.24566 0.24566 0.00000
102 9ZZ 0.11499 -0.05237 0.00000 -0.24566 -0.24566
103 9XY -0.00260 -0.16911 0.00000 0.15280 0.15280
104 9XZ -0.16911 0.16911 0.15280 0.15280 0.00000
105 9YZ -0.16911 -0.00260 -0.15280 0.00000 0.15280
106 4 H 1S -0.04315 -0.04315 0.00000 0.00000 0.00000
107 2S -1.30289 -1.30289 0.00000 0.00000 0.00000
108 3S 9.17313 9.17313 0.00000 0.00000 0.00000
109 4S 2.83938 2.83938 0.00000 0.00000 0.00000
110 5PX -0.00147 0.00065 -0.00803 0.00000 0.00803
111 5PY 0.00147 0.00147 -0.00803 0.00803 0.00000
112 5PZ 0.00065 -0.00147 0.00000 0.00803 -0.00803
113 6PX -0.23718 -0.40997 0.16786 0.00000 -0.16786
114 6PY 0.23718 0.23718 0.16786 -0.16786 0.00000
115 6PZ -0.40997 -0.23718 0.00000 -0.16786 0.16786
116 7PX 1.06419 -0.70517 1.52503 0.00000 -1.52503
117 7PY -1.06419 -1.06419 1.52503 -1.52503 0.00000
118 7PZ -0.70517 1.06419 0.00000 -1.52503 1.52503
119 8XX -0.00971 -0.01710 -0.00157 0.00000 0.00157
120 8YY -0.00971 -0.00971 0.00157 -0.00157 0.00000
121 8ZZ -0.01710 -0.00971 0.00000 0.00157 -0.00157
122 8XY 0.01225 0.00978 0.00000 0.00667 -0.00667
123 8XZ -0.00978 -0.00978 -0.00667 0.00667 0.00000
124 8YZ 0.00978 0.01225 -0.00667 0.00000 0.00667
125 9XX -0.05237 -0.11499 0.24566 0.00000 -0.24566
126 9YY -0.05237 -0.05237 -0.24566 0.24566 0.00000
127 9ZZ -0.11499 -0.05237 0.00000 -0.24566 0.24566
128 9XY -0.00260 0.16911 0.00000 -0.15280 0.15280
129 9XZ -0.16911 -0.16911 0.15280 -0.15280 0.00000
130 9YZ 0.16911 -0.00260 0.15280 0.00000 -0.15280
131 5 H 1S -0.04315 0.04315 0.00000 0.00000 0.00000
132 2S -1.30289 1.30289 0.00000 0.00000 0.00000
133 3S 9.17313 -9.17313 0.00000 0.00000 0.00000
134 4S 2.83938 -2.83938 0.00000 0.00000 0.00000
135 5PX 0.00147 0.00065 0.00803 0.00000 0.00803
136 5PY -0.00147 0.00147 0.00803 0.00803 0.00000
137 5PZ 0.00065 0.00147 0.00000 -0.00803 0.00803
138 6PX 0.23718 -0.40997 -0.16786 0.00000 -0.16786
139 6PY -0.23718 0.23718 -0.16786 -0.16786 0.00000
140 6PZ -0.40997 0.23718 0.00000 0.16786 -0.16786
141 7PX -1.06419 -0.70517 -1.52503 0.00000 -1.52503
142 7PY 1.06419 -1.06419 -1.52503 -1.52503 0.00000
143 7PZ -0.70517 -1.06419 0.00000 1.52503 -1.52503
144 8XX -0.00971 0.01710 -0.00157 0.00000 -0.00157
145 8YY -0.00971 0.00971 0.00157 0.00157 0.00000
146 8ZZ -0.01710 0.00971 0.00000 -0.00157 0.00157
147 8XY 0.01225 -0.00978 0.00000 -0.00667 0.00667
148 8XZ 0.00978 -0.00978 0.00667 0.00667 0.00000
149 8YZ -0.00978 0.01225 0.00667 0.00000 0.00667
150 9XX -0.05237 0.11499 0.24566 0.00000 0.24566
151 9YY -0.05237 0.05237 -0.24566 -0.24566 0.00000
152 9ZZ -0.11499 0.05237 0.00000 0.24566 -0.24566
153 9XY -0.00260 -0.16911 0.00000 0.15280 -0.15280
154 9XZ 0.16911 -0.16911 -0.15280 -0.15280 0.00000
155 9YZ -0.16911 -0.00260 -0.15280 0.00000 -0.15280
26 27 28 29 30
(A1)--V (T2)--V (T2)--V (T2)--V (T2)--V
Eigenvalues -- 0.35661 0.38809 0.38809 0.38809 0.44551
1 1 C 1S 0.06145 0.00000 0.00000 0.00000 0.00000
2 2S -0.21212 0.00000 0.00000 0.00000 0.00000
3 3S 0.23801 0.00000 0.00000 0.00000 0.00000
4 4S 61.42757 0.00000 0.00000 0.00000 0.00000
5 5S -17.48210 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 -0.03733 0.00000 0.00000
7 6PY 0.00000 -0.03733 0.00000 0.00000 -0.10850
8 6PZ 0.00000 0.00000 0.00000 -0.03733 0.00000
9 7PX 0.00000 0.00000 0.65132 0.00000 0.00000
10 7PY 0.00000 0.65132 0.00000 0.00000 1.53245
11 7PZ 0.00000 0.00000 0.00000 0.65132 0.00000
12 8PX 0.00000 0.00000 -3.28527 0.00000 0.00000
13 8PY 0.00000 -3.28527 0.00000 0.00000 -23.76838
14 8PZ 0.00000 0.00000 0.00000 -3.28527 0.00000
15 9PX 0.00000 0.00000 -0.91607 0.00000 0.00000
16 9PY 0.00000 -0.91607 0.00000 0.00000 -1.47648
17 9PZ 0.00000 0.00000 0.00000 -0.91607 0.00000
18 10XX 0.03893 0.00000 0.00000 0.00000 0.00000
19 10YY 0.03893 0.00000 0.00000 0.00000 0.00000
20 10ZZ 0.03893 0.00000 0.00000 0.00000 0.00000
21 10XY 0.00000 0.00000 0.00000 -0.00704 0.00000
22 10XZ 0.00000 -0.00704 0.00000 0.00000 0.00994
23 10YZ 0.00000 0.00000 -0.00704 0.00000 0.00000
24 11XX 0.33342 0.00000 0.00000 0.00000 0.00000
25 11YY 0.33342 0.00000 0.00000 0.00000 0.00000
26 11ZZ 0.33342 0.00000 0.00000 0.00000 0.00000
27 11XY 0.00000 0.00000 0.00000 0.90623 0.00000
28 11XZ 0.00000 0.90623 0.00000 0.00000 -0.28401
29 11YZ 0.00000 0.00000 0.90623 0.00000 0.00000
30 12XX 16.49849 0.00000 0.00000 0.00000 0.00000
31 12YY 16.49849 0.00000 0.00000 0.00000 0.00000
32 12ZZ 16.49849 0.00000 0.00000 0.00000 0.00000
33 12XY 0.00000 0.00000 0.00000 4.61557 0.00000
34 12XZ 0.00000 4.61557 0.00000 0.00000 -6.18867
35 12YZ 0.00000 0.00000 4.61557 0.00000 0.00000
36 13XXX 0.00000 0.00000 0.01404 0.00000 0.00000
37 13YYY 0.00000 0.01404 0.00000 0.00000 0.04523
38 13ZZZ 0.00000 0.00000 0.00000 0.01404 0.00000
39 13XYY 0.00000 0.00000 0.03754 0.00000 0.00000
40 13XXY 0.00000 0.03754 0.00000 0.00000 0.01532
41 13XXZ 0.00000 0.00000 0.00000 0.03754 0.00000
42 13XZZ 0.00000 0.00000 0.03754 0.00000 0.00000
43 13YZZ 0.00000 0.03754 0.00000 0.00000 0.01532
44 13YYZ 0.00000 0.00000 0.00000 0.03754 0.00000
45 13XYZ -0.02707 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.00000 0.57244 0.00000 0.00000
47 14YYY 0.00000 0.57244 0.00000 0.00000 2.57563
48 14ZZZ 0.00000 0.00000 0.00000 0.57244 0.00000
49 14XYY 0.00000 0.00000 0.45365 0.00000 0.00000
50 14XXY 0.00000 0.45365 0.00000 0.00000 1.05492
51 14XXZ 0.00000 0.00000 0.00000 0.45365 0.00000
52 14XZZ 0.00000 0.00000 0.45365 0.00000 0.00000
53 14YZZ 0.00000 0.45365 0.00000 0.00000 1.05492
54 14YYZ 0.00000 0.00000 0.00000 0.45365 0.00000
55 14XYZ -0.16352 0.00000 0.00000 0.00000 0.00000
56 2 H 1S 0.01903 -0.01232 -0.01232 -0.01232 0.03856
57 2S 2.70291 -1.35576 -1.35576 -1.35576 -0.40112
58 3S -25.06700 -0.10198 -0.10198 -0.10198 29.20174
59 4S 1.09621 0.70040 0.70040 0.70040 1.61984
60 5PX 0.00119 0.00721 0.00536 0.00721 0.00143
61 5PY 0.00119 0.00536 0.00721 0.00721 0.00354
62 5PZ 0.00119 0.00721 0.00721 0.00536 0.00143
63 6PX -0.09367 0.09437 0.22209 0.09437 -0.00747
64 6PY -0.09367 0.22209 0.09437 0.09437 -0.18720
65 6PZ -0.09367 0.09437 0.09437 0.22209 -0.00747
66 7PX 2.39137 -1.62293 1.04368 -1.62293 -3.81940
67 7PY 2.39137 1.04368 -1.62293 -1.62293 -6.58928
68 7PZ 2.39137 -1.62293 -1.62293 1.04368 -3.81940
69 8XX 0.01662 -0.01302 -0.01131 -0.01302 0.00909
70 8YY 0.01662 -0.01131 -0.01302 -0.01302 0.00348
71 8ZZ 0.01662 -0.01302 -0.01302 -0.01131 0.00909
72 8XY 0.00815 -0.01138 -0.01138 0.00172 0.00260
73 8XZ 0.00815 0.00172 -0.01138 -0.01138 0.00142
74 8YZ 0.00815 -0.01138 0.00172 -0.01138 0.00260
75 9XX 0.89868 -0.09427 -0.42880 -0.09427 -0.24823
76 9YY 0.89868 -0.42880 -0.09427 -0.09427 0.09029
77 9ZZ 0.89868 -0.09427 -0.09427 -0.42880 -0.24823
78 9XY -0.06414 0.08478 0.08478 0.02779 0.17972
79 9XZ -0.06414 0.02779 0.08478 0.08478 0.03216
80 9YZ -0.06414 0.08478 0.02779 0.08478 0.17972
81 3 H 1S 0.01903 0.01232 0.01232 -0.01232 -0.03856
82 2S 2.70291 1.35576 1.35576 -1.35576 0.40112
83 3S -25.06700 0.10198 0.10198 -0.10198 -29.20174
84 4S 1.09621 -0.70040 -0.70040 0.70040 -1.61984
85 5PX -0.00119 0.00721 0.00536 -0.00721 0.00143
86 5PY -0.00119 0.00536 0.00721 -0.00721 0.00354
87 5PZ 0.00119 -0.00721 -0.00721 0.00536 -0.00143
88 6PX 0.09367 0.09437 0.22209 -0.09437 -0.00747
89 6PY 0.09367 0.22209 0.09437 -0.09437 -0.18720
90 6PZ -0.09367 -0.09437 -0.09437 0.22209 0.00747
91 7PX -2.39137 -1.62293 1.04368 1.62293 -3.81940
92 7PY -2.39137 1.04368 -1.62293 1.62293 -6.58928
93 7PZ 2.39137 1.62293 1.62293 1.04368 3.81940
94 8XX 0.01662 0.01302 0.01131 -0.01302 -0.00909
95 8YY 0.01662 0.01131 0.01302 -0.01302 -0.00348
96 8ZZ 0.01662 0.01302 0.01302 -0.01131 -0.00909
97 8XY 0.00815 0.01138 0.01138 0.00172 -0.00260
98 8XZ -0.00815 0.00172 -0.01138 0.01138 0.00142
99 8YZ -0.00815 -0.01138 0.00172 0.01138 0.00260
100 9XX 0.89868 0.09427 0.42880 -0.09427 0.24823
101 9YY 0.89868 0.42880 0.09427 -0.09427 -0.09029
102 9ZZ 0.89868 0.09427 0.09427 -0.42880 0.24823
103 9XY -0.06414 -0.08478 -0.08478 0.02779 -0.17972
104 9XZ 0.06414 0.02779 0.08478 -0.08478 0.03216
105 9YZ 0.06414 0.08478 0.02779 -0.08478 0.17972
106 4 H 1S 0.01903 -0.01232 0.01232 0.01232 0.03856
107 2S 2.70291 -1.35576 1.35576 1.35576 -0.40112
108 3S -25.06700 -0.10198 0.10198 0.10198 29.20174
109 4S 1.09621 0.70040 -0.70040 -0.70040 1.61984
110 5PX -0.00119 -0.00721 0.00536 0.00721 -0.00143
111 5PY 0.00119 0.00536 -0.00721 -0.00721 0.00354
112 5PZ -0.00119 -0.00721 0.00721 0.00536 -0.00143
113 6PX 0.09367 -0.09437 0.22209 0.09437 0.00747
114 6PY -0.09367 0.22209 -0.09437 -0.09437 -0.18720
115 6PZ 0.09367 -0.09437 0.09437 0.22209 0.00747
116 7PX -2.39137 1.62293 1.04368 -1.62293 3.81940
117 7PY 2.39137 1.04368 1.62293 1.62293 -6.58928
118 7PZ -2.39137 1.62293 -1.62293 1.04368 3.81940
119 8XX 0.01662 -0.01302 0.01131 0.01302 0.00909
120 8YY 0.01662 -0.01131 0.01302 0.01302 0.00348
121 8ZZ 0.01662 -0.01302 0.01302 0.01131 0.00909
122 8XY -0.00815 0.01138 -0.01138 0.00172 -0.00260
123 8XZ 0.00815 0.00172 0.01138 0.01138 0.00142
124 8YZ -0.00815 0.01138 0.00172 -0.01138 -0.00260
125 9XX 0.89868 -0.09427 0.42880 0.09427 -0.24823
126 9YY 0.89868 -0.42880 0.09427 0.09427 0.09029
127 9ZZ 0.89868 -0.09427 0.09427 0.42880 -0.24823
128 9XY 0.06414 -0.08478 0.08478 0.02779 -0.17972
129 9XZ -0.06414 0.02779 -0.08478 -0.08478 0.03216
130 9YZ 0.06414 -0.08478 0.02779 0.08478 -0.17972
131 5 H 1S 0.01903 0.01232 -0.01232 0.01232 -0.03856
132 2S 2.70291 1.35576 -1.35576 1.35576 0.40112
133 3S -25.06700 0.10198 -0.10198 0.10198 -29.20174
134 4S 1.09621 -0.70040 0.70040 -0.70040 -1.61984
135 5PX 0.00119 -0.00721 0.00536 -0.00721 -0.00143
136 5PY -0.00119 0.00536 -0.00721 0.00721 0.00354
137 5PZ -0.00119 0.00721 -0.00721 0.00536 0.00143
138 6PX -0.09367 -0.09437 0.22209 -0.09437 0.00747
139 6PY 0.09367 0.22209 -0.09437 0.09437 -0.18720
140 6PZ 0.09367 0.09437 -0.09437 0.22209 -0.00747
141 7PX 2.39137 1.62293 1.04368 1.62293 3.81940
142 7PY -2.39137 1.04368 1.62293 -1.62293 -6.58928
143 7PZ -2.39137 -1.62293 1.62293 1.04368 -3.81940
144 8XX 0.01662 0.01302 -0.01131 0.01302 -0.00909
145 8YY 0.01662 0.01131 -0.01302 0.01302 -0.00348
146 8ZZ 0.01662 0.01302 -0.01302 0.01131 -0.00909
147 8XY -0.00815 -0.01138 0.01138 0.00172 0.00260
148 8XZ -0.00815 0.00172 0.01138 -0.01138 0.00142
149 8YZ 0.00815 0.01138 0.00172 0.01138 -0.00260
150 9XX 0.89868 0.09427 -0.42880 0.09427 0.24823
151 9YY 0.89868 0.42880 -0.09427 0.09427 -0.09029
152 9ZZ 0.89868 0.09427 -0.09427 0.42880 0.24823
153 9XY 0.06414 0.08478 -0.08478 0.02779 0.17972
154 9XZ 0.06414 0.02779 -0.08478 0.08478 0.03216
155 9YZ -0.06414 -0.08478 0.02779 -0.08478 -0.17972
31 32 33 34 35
(T2)--V (T2)--V (E)--V (E)--V (T2)--V
Eigenvalues -- 0.44551 0.44551 0.50040 0.50040 0.52058
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 -0.10850 0.00000 0.00000 0.08868
7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
8 6PZ -0.10850 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 1.53245 0.00000 0.00000 -0.12995
10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
11 7PZ 1.53245 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 -23.76838 0.00000 0.00000 4.22434
13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
14 8PZ -23.76838 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 -1.47648 0.00000 0.00000 1.77832
16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
17 9PZ -1.47648 0.00000 0.00000 0.00000 0.00000
18 10XX 0.00000 0.00000 -0.00879 -0.01172 0.00000
19 10YY 0.00000 0.00000 -0.00576 0.01347 0.00000
20 10ZZ 0.00000 0.00000 0.01454 -0.00175 0.00000
21 10XY 0.00994 0.00000 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 10YZ 0.00000 0.00994 0.00000 0.00000 -0.00773
24 11XX 0.00000 0.00000 -0.36939 -0.49255 0.00000
25 11YY 0.00000 0.00000 -0.24187 0.56617 0.00000
26 11ZZ 0.00000 0.00000 0.61125 -0.07363 0.00000
27 11XY -0.28401 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000
29 11YZ 0.00000 -0.28401 0.00000 0.00000 -0.86984
30 12XX 0.00000 0.00000 -5.54585 -7.39493 0.00000
31 12YY 0.00000 0.00000 -3.63127 8.50031 0.00000
32 12ZZ 0.00000 0.00000 9.17712 -1.10538 0.00000
33 12XY -6.18867 0.00000 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000
35 12YZ 0.00000 -6.18867 0.00000 0.00000 -0.13952
36 13XXX 0.00000 0.04523 0.00000 0.00000 -0.01323
37 13YYY 0.00000 0.00000 0.00000 0.00000 0.00000
38 13ZZZ 0.04523 0.00000 0.00000 0.00000 0.00000
39 13XYY 0.00000 0.01532 0.00000 0.00000 -0.02572
40 13XXY 0.00000 0.00000 0.00000 0.00000 0.00000
41 13XXZ 0.01532 0.00000 0.00000 0.00000 0.00000
42 13XZZ 0.00000 0.01532 0.00000 0.00000 -0.02572
43 13YZZ 0.00000 0.00000 0.00000 0.00000 0.00000
44 13YYZ 0.01532 0.00000 0.00000 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 2.57563 0.00000 0.00000 0.33089
47 14YYY 0.00000 0.00000 0.00000 0.00000 0.00000
48 14ZZZ 2.57563 0.00000 0.00000 0.00000 0.00000
49 14XYY 0.00000 1.05492 0.00000 0.00000 -0.39752
50 14XXY 0.00000 0.00000 0.00000 0.00000 0.00000
51 14XXZ 1.05492 0.00000 0.00000 0.00000 0.00000
52 14XZZ 0.00000 1.05492 0.00000 0.00000 -0.39752
53 14YZZ 0.00000 0.00000 0.00000 0.00000 0.00000
54 14YYZ 1.05492 0.00000 0.00000 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S 0.03856 0.03856 0.00000 0.00000 -0.12308
57 2S -0.40112 -0.40112 0.00000 0.00000 -1.57814
58 3S 29.20174 29.20174 0.00000 0.00000 8.78568
59 4S 1.61984 1.61984 0.00000 0.00000 -1.15642
60 5PX 0.00143 0.00354 -0.01396 -0.01862 0.00681
61 5PY 0.00143 0.00143 -0.00914 0.02140 -0.01666
62 5PZ 0.00354 0.00143 0.02310 -0.00278 -0.01666
63 6PX -0.00747 -0.18720 0.12925 0.17234 -0.29816
64 6PY -0.00747 -0.00747 0.08463 -0.19810 0.00943
65 6PZ -0.18720 -0.00747 -0.21388 0.02576 0.00943
66 7PX -3.81940 -6.58928 2.48917 3.31909 -3.67496
67 7PY -3.81940 -3.81940 1.62984 -3.81523 -0.75788
68 7PZ -6.58928 -3.81940 -4.11900 0.49613 -0.75788
69 8XX 0.00909 0.00348 -0.00346 -0.00462 -0.03756
70 8YY 0.00909 0.00909 -0.00227 0.00531 -0.04312
71 8ZZ 0.00348 0.00909 0.00573 -0.00069 -0.04312
72 8XY 0.00142 0.00260 -0.00075 0.00009 -0.00053
73 8XZ 0.00260 0.00260 0.00030 -0.00070 -0.00053
74 8YZ 0.00260 0.00142 0.00045 0.00061 -0.00113
75 9XX -0.24823 0.09029 -0.10330 -0.13774 -0.95088
76 9YY -0.24823 -0.24823 -0.06764 0.15833 -1.13942
77 9ZZ 0.09029 -0.24823 0.17094 -0.02059 -1.13942
78 9XY 0.03216 0.17972 -0.20602 0.02482 0.17339
79 9XZ 0.17972 0.17972 0.08152 -0.19083 0.17339
80 9YZ 0.17972 0.03216 0.12450 0.16601 -0.13785
81 3 H 1S 0.03856 -0.03856 0.00000 0.00000 0.12308
82 2S -0.40112 0.40112 0.00000 0.00000 1.57814
83 3S 29.20174 -29.20174 0.00000 0.00000 -8.78568
84 4S 1.61984 -1.61984 0.00000 0.00000 1.15642
85 5PX -0.00143 0.00354 0.01396 0.01862 0.00681
86 5PY -0.00143 0.00143 0.00914 -0.02140 -0.01666
87 5PZ 0.00354 -0.00143 0.02310 -0.00278 0.01666
88 6PX 0.00747 -0.18720 -0.12925 -0.17234 -0.29816
89 6PY 0.00747 -0.00747 -0.08463 0.19810 0.00943
90 6PZ -0.18720 0.00747 -0.21388 0.02576 -0.00943
91 7PX 3.81940 -6.58928 -2.48917 -3.31909 -3.67496
92 7PY 3.81940 -3.81940 -1.62984 3.81523 -0.75788
93 7PZ -6.58928 3.81940 -4.11900 0.49613 0.75788
94 8XX 0.00909 -0.00348 -0.00346 -0.00462 0.03756
95 8YY 0.00909 -0.00909 -0.00227 0.00531 0.04312
96 8ZZ 0.00348 -0.00909 0.00573 -0.00069 0.04312
97 8XY 0.00142 -0.00260 -0.00075 0.00009 0.00053
98 8XZ -0.00260 0.00260 -0.00030 0.00070 -0.00053
99 8YZ -0.00260 0.00142 -0.00045 -0.00061 -0.00113
100 9XX -0.24823 -0.09029 -0.10330 -0.13774 0.95088
101 9YY -0.24823 0.24823 -0.06764 0.15833 1.13942
102 9ZZ 0.09029 0.24823 0.17094 -0.02059 1.13942
103 9XY 0.03216 -0.17972 -0.20602 0.02482 -0.17339
104 9XZ -0.17972 0.17972 -0.08152 0.19083 0.17339
105 9YZ -0.17972 0.03216 -0.12450 -0.16601 -0.13785
106 4 H 1S -0.03856 -0.03856 0.00000 0.00000 0.12308
107 2S 0.40112 0.40112 0.00000 0.00000 1.57814
108 3S -29.20174 -29.20174 0.00000 0.00000 -8.78568
109 4S -1.61984 -1.61984 0.00000 0.00000 1.15642
110 5PX 0.00143 0.00354 0.01396 0.01862 0.00681
111 5PY -0.00143 -0.00143 -0.00914 0.02140 0.01666
112 5PZ 0.00354 0.00143 -0.02310 0.00278 -0.01666
113 6PX -0.00747 -0.18720 -0.12925 -0.17234 -0.29816
114 6PY 0.00747 0.00747 0.08463 -0.19810 -0.00943
115 6PZ -0.18720 -0.00747 0.21388 -0.02576 0.00943
116 7PX -3.81940 -6.58928 -2.48917 -3.31909 -3.67496
117 7PY 3.81940 3.81940 1.62984 -3.81523 0.75788
118 7PZ -6.58928 -3.81940 4.11900 -0.49613 -0.75788
119 8XX -0.00909 -0.00348 -0.00346 -0.00462 0.03756
120 8YY -0.00909 -0.00909 -0.00227 0.00531 0.04312
121 8ZZ -0.00348 -0.00909 0.00573 -0.00069 0.04312
122 8XY 0.00142 0.00260 0.00075 -0.00009 -0.00053
123 8XZ -0.00260 -0.00260 0.00030 -0.00070 0.00053
124 8YZ 0.00260 0.00142 -0.00045 -0.00061 -0.00113
125 9XX 0.24823 -0.09029 -0.10330 -0.13774 0.95088
126 9YY 0.24823 0.24823 -0.06764 0.15833 1.13942
127 9ZZ -0.09029 0.24823 0.17094 -0.02059 1.13942
128 9XY 0.03216 0.17972 0.20602 -0.02482 0.17339
129 9XZ -0.17972 -0.17972 0.08152 -0.19083 -0.17339
130 9YZ 0.17972 0.03216 -0.12450 -0.16601 -0.13785
131 5 H 1S -0.03856 0.03856 0.00000 0.00000 -0.12308
132 2S 0.40112 -0.40112 0.00000 0.00000 -1.57814
133 3S -29.20174 29.20174 0.00000 0.00000 8.78568
134 4S -1.61984 1.61984 0.00000 0.00000 -1.15642
135 5PX -0.00143 0.00354 -0.01396 -0.01862 0.00681
136 5PY 0.00143 -0.00143 0.00914 -0.02140 0.01666
137 5PZ 0.00354 -0.00143 -0.02310 0.00278 0.01666
138 6PX 0.00747 -0.18720 0.12925 0.17234 -0.29816
139 6PY -0.00747 0.00747 -0.08463 0.19810 -0.00943
140 6PZ -0.18720 0.00747 0.21388 -0.02576 -0.00943
141 7PX 3.81940 -6.58928 2.48917 3.31909 -3.67496
142 7PY -3.81940 3.81940 -1.62984 3.81523 0.75788
143 7PZ -6.58928 3.81940 4.11900 -0.49613 0.75788
144 8XX -0.00909 0.00348 -0.00346 -0.00462 -0.03756
145 8YY -0.00909 0.00909 -0.00227 0.00531 -0.04312
146 8ZZ -0.00348 0.00909 0.00573 -0.00069 -0.04312
147 8XY 0.00142 -0.00260 0.00075 -0.00009 0.00053
148 8XZ 0.00260 -0.00260 -0.00030 0.00070 0.00053
149 8YZ -0.00260 0.00142 0.00045 0.00061 -0.00113
150 9XX 0.24823 0.09029 -0.10330 -0.13774 -0.95088
151 9YY 0.24823 -0.24823 -0.06764 0.15833 -1.13942
152 9ZZ -0.09029 -0.24823 0.17094 -0.02059 -1.13942
153 9XY 0.03216 -0.17972 0.20602 -0.02482 -0.17339
154 9XZ 0.17972 -0.17972 -0.08152 0.19083 -0.17339
155 9YZ -0.17972 0.03216 0.12450 0.16601 -0.13785
36 37 38 39 40
(T2)--V (T2)--V (A1)--V (T2)--V (T2)--V
Eigenvalues -- 0.52058 0.52058 0.54344 0.73482 0.73482
1 1 C 1S 0.00000 0.00000 -0.08034 0.00000 0.00000
2 2S 0.00000 0.00000 0.33630 0.00000 0.00000
3 3S 0.00000 0.00000 -1.01746 0.00000 0.00000
4 4S 0.00000 0.00000 196.73410 0.00000 0.00000
5 5S 0.00000 0.00000 -20.72810 0.00000 0.00000
6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
7 6PY 0.08868 0.00000 0.00000 -0.25532 0.00000
8 6PZ 0.00000 0.08868 0.00000 0.00000 -0.25532
9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
10 7PY -0.12995 0.00000 0.00000 -6.36504 0.00000
11 7PZ 0.00000 -0.12995 0.00000 0.00000 -6.36504
12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
13 8PY 4.22434 0.00000 0.00000 36.38755 0.00000
14 8PZ 0.00000 4.22434 0.00000 0.00000 36.38755
15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
16 9PY 1.77832 0.00000 0.00000 3.76693 0.00000
17 9PZ 0.00000 1.77832 0.00000 0.00000 3.76693
18 10XX 0.00000 0.00000 -0.13579 0.00000 0.00000
19 10YY 0.00000 0.00000 -0.13579 0.00000 0.00000
20 10ZZ 0.00000 0.00000 -0.13579 0.00000 0.00000
21 10XY 0.00000 -0.00773 0.00000 0.00000 -0.04151
22 10XZ -0.00773 0.00000 0.00000 -0.04151 0.00000
23 10YZ 0.00000 0.00000 0.00000 0.00000 0.00000
24 11XX 0.00000 0.00000 -1.31591 0.00000 0.00000
25 11YY 0.00000 0.00000 -1.31591 0.00000 0.00000
26 11ZZ 0.00000 0.00000 -1.31591 0.00000 0.00000
27 11XY 0.00000 -0.86984 0.00000 0.00000 -1.98341
28 11XZ -0.86984 0.00000 0.00000 -1.98341 0.00000
29 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000
30 12XX 0.00000 0.00000 33.21045 0.00000 0.00000
31 12YY 0.00000 0.00000 33.21045 0.00000 0.00000
32 12ZZ 0.00000 0.00000 33.21045 0.00000 0.00000
33 12XY 0.00000 -0.13952 0.00000 0.00000 5.13362
34 12XZ -0.13952 0.00000 0.00000 5.13362 0.00000
35 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000
36 13XXX 0.00000 0.00000 0.00000 0.00000 0.00000
37 13YYY -0.01323 0.00000 0.00000 -0.13063 0.00000
38 13ZZZ 0.00000 -0.01323 0.00000 0.00000 -0.13063
39 13XYY 0.00000 0.00000 0.00000 0.00000 0.00000
40 13XXY -0.02572 0.00000 0.00000 -0.13619 0.00000
41 13XXZ 0.00000 -0.02572 0.00000 0.00000 -0.13619
42 13XZZ 0.00000 0.00000 0.00000 0.00000 0.00000
43 13YZZ -0.02572 0.00000 0.00000 -0.13619 0.00000
44 13YYZ 0.00000 -0.02572 0.00000 0.00000 -0.13619
45 13XYZ 0.00000 0.00000 0.14687 0.00000 0.00000
46 14XXX 0.00000 0.00000 0.00000 0.00000 0.00000
47 14YYY 0.33089 0.00000 0.00000 -5.12892 0.00000
48 14ZZZ 0.00000 0.33089 0.00000 0.00000 -5.12892
49 14XYY 0.00000 0.00000 0.00000 0.00000 0.00000
50 14XXY -0.39752 0.00000 0.00000 -2.94991 0.00000
51 14XXZ 0.00000 -0.39752 0.00000 0.00000 -2.94991
52 14XZZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 14YZZ -0.39752 0.00000 0.00000 -2.94991 0.00000
54 14YYZ 0.00000 -0.39752 0.00000 0.00000 -2.94991
55 14XYZ 0.00000 0.00000 0.32835 0.00000 0.00000
56 2 H 1S -0.12308 -0.12308 0.03157 -0.00169 -0.00169
57 2S -1.57814 -1.57814 1.00082 3.16232 3.16232
58 3S 8.78568 8.78568 -65.17519 -26.89476 -26.89476
59 4S -1.15642 -1.15642 0.79133 -2.11609 -2.11609
60 5PX -0.01666 -0.01666 0.00819 0.00668 0.00668
61 5PY 0.00681 -0.01666 0.00819 0.01230 0.00668
62 5PZ -0.01666 0.00681 0.00819 0.00668 0.01230
63 6PX 0.00943 0.00943 0.49831 -0.54255 -0.54255
64 6PY -0.29816 0.00943 0.49831 -0.72764 -0.54255
65 6PZ 0.00943 -0.29816 0.49831 -0.54255 -0.72764
66 7PX -0.75788 -0.75788 8.50172 3.40191 3.40191
67 7PY -3.67496 -0.75788 8.50172 2.31694 3.40191
68 7PZ -0.75788 -3.67496 8.50172 3.40191 2.31694
69 8XX -0.04312 -0.04312 0.02262 0.01459 0.01459
70 8YY -0.03756 -0.04312 0.02262 0.03294 0.01459
71 8ZZ -0.04312 -0.03756 0.02262 0.01459 0.03294
72 8XY -0.00053 -0.00113 -0.03088 0.02126 0.01912
73 8XZ -0.00113 -0.00053 -0.03088 0.01912 0.02126
74 8YZ -0.00053 -0.00053 -0.03088 0.02126 0.02126
75 9XX -1.13942 -1.13942 1.09335 0.29482 0.29482
76 9YY -0.95088 -1.13942 1.09335 0.27966 0.29482
77 9ZZ -1.13942 -0.95088 1.09335 0.29482 0.27966
78 9XY 0.17339 -0.13785 -0.27304 0.22597 0.07445
79 9XZ -0.13785 0.17339 -0.27304 0.07445 0.22597
80 9YZ 0.17339 0.17339 -0.27304 0.22597 0.22597
81 3 H 1S 0.12308 -0.12308 0.03157 0.00169 -0.00169
82 2S 1.57814 -1.57814 1.00082 -3.16232 3.16232
83 3S -8.78568 8.78568 -65.17519 26.89476 -26.89476
84 4S 1.15642 -1.15642 0.79133 2.11609 -2.11609
85 5PX -0.01666 0.01666 -0.00819 0.00668 -0.00668
86 5PY 0.00681 0.01666 -0.00819 0.01230 -0.00668
87 5PZ 0.01666 0.00681 0.00819 -0.00668 0.01230
88 6PX 0.00943 -0.00943 -0.49831 -0.54255 0.54255
89 6PY -0.29816 -0.00943 -0.49831 -0.72764 0.54255
90 6PZ -0.00943 -0.29816 0.49831 0.54255 -0.72764
91 7PX -0.75788 0.75788 -8.50172 3.40191 -3.40191
92 7PY -3.67496 0.75788 -8.50172 2.31694 -3.40191
93 7PZ 0.75788 -3.67496 8.50172 -3.40191 2.31694
94 8XX 0.04312 -0.04312 0.02262 -0.01459 0.01459
95 8YY 0.03756 -0.04312 0.02262 -0.03294 0.01459
96 8ZZ 0.04312 -0.03756 0.02262 -0.01459 0.03294
97 8XY 0.00053 -0.00113 -0.03088 -0.02126 0.01912
98 8XZ -0.00113 0.00053 0.03088 0.01912 -0.02126
99 8YZ -0.00053 0.00053 0.03088 0.02126 -0.02126
100 9XX 1.13942 -1.13942 1.09335 -0.29482 0.29482
101 9YY 0.95088 -1.13942 1.09335 -0.27966 0.29482
102 9ZZ 1.13942 -0.95088 1.09335 -0.29482 0.27966
103 9XY -0.17339 -0.13785 -0.27304 -0.22597 0.07445
104 9XZ -0.13785 -0.17339 0.27304 0.07445 -0.22597
105 9YZ 0.17339 -0.17339 0.27304 0.22597 -0.22597
106 4 H 1S -0.12308 0.12308 0.03157 -0.00169 0.00169
107 2S -1.57814 1.57814 1.00082 3.16232 -3.16232
108 3S 8.78568 -8.78568 -65.17519 -26.89476 26.89476
109 4S -1.15642 1.15642 0.79133 -2.11609 2.11609
110 5PX 0.01666 -0.01666 -0.00819 -0.00668 0.00668
111 5PY 0.00681 0.01666 0.00819 0.01230 -0.00668
112 5PZ 0.01666 0.00681 -0.00819 -0.00668 0.01230
113 6PX -0.00943 0.00943 -0.49831 0.54255 -0.54255
114 6PY -0.29816 -0.00943 0.49831 -0.72764 0.54255
115 6PZ -0.00943 -0.29816 -0.49831 0.54255 -0.72764
116 7PX 0.75788 -0.75788 -8.50172 -3.40191 3.40191
117 7PY -3.67496 0.75788 8.50172 2.31694 -3.40191
118 7PZ 0.75788 -3.67496 -8.50172 -3.40191 2.31694
119 8XX -0.04312 0.04312 0.02262 0.01459 -0.01459
120 8YY -0.03756 0.04312 0.02262 0.03294 -0.01459
121 8ZZ -0.04312 0.03756 0.02262 0.01459 -0.03294
122 8XY 0.00053 -0.00113 0.03088 -0.02126 0.01912
123 8XZ -0.00113 0.00053 -0.03088 0.01912 -0.02126
124 8YZ 0.00053 -0.00053 0.03088 -0.02126 0.02126
125 9XX -1.13942 1.13942 1.09335 0.29482 -0.29482
126 9YY -0.95088 1.13942 1.09335 0.27966 -0.29482
127 9ZZ -1.13942 0.95088 1.09335 0.29482 -0.27966
128 9XY -0.17339 -0.13785 0.27304 -0.22597 0.07445
129 9XZ -0.13785 -0.17339 -0.27304 0.07445 -0.22597
130 9YZ -0.17339 0.17339 0.27304 -0.22597 0.22597
131 5 H 1S 0.12308 0.12308 0.03157 0.00169 0.00169
132 2S 1.57814 1.57814 1.00082 -3.16232 -3.16232
133 3S -8.78568 -8.78568 -65.17519 26.89476 26.89476
134 4S 1.15642 1.15642 0.79133 2.11609 2.11609
135 5PX 0.01666 0.01666 0.00819 -0.00668 -0.00668
136 5PY 0.00681 -0.01666 -0.00819 0.01230 0.00668
137 5PZ -0.01666 0.00681 -0.00819 0.00668 0.01230
138 6PX -0.00943 -0.00943 0.49831 0.54255 0.54255
139 6PY -0.29816 0.00943 -0.49831 -0.72764 -0.54255
140 6PZ 0.00943 -0.29816 -0.49831 -0.54255 -0.72764
141 7PX 0.75788 0.75788 8.50172 -3.40191 -3.40191
142 7PY -3.67496 -0.75788 -8.50172 2.31694 3.40191
143 7PZ -0.75788 -3.67496 -8.50172 3.40191 2.31694
144 8XX 0.04312 0.04312 0.02262 -0.01459 -0.01459
145 8YY 0.03756 0.04312 0.02262 -0.03294 -0.01459
146 8ZZ 0.04312 0.03756 0.02262 -0.01459 -0.03294
147 8XY -0.00053 -0.00113 0.03088 0.02126 0.01912
148 8XZ -0.00113 -0.00053 0.03088 0.01912 0.02126
149 8YZ 0.00053 0.00053 -0.03088 -0.02126 -0.02126
150 9XX 1.13942 1.13942 1.09335 -0.29482 -0.29482
151 9YY 0.95088 1.13942 1.09335 -0.27966 -0.29482
152 9ZZ 1.13942 0.95088 1.09335 -0.29482 -0.27966
153 9XY 0.17339 -0.13785 0.27304 0.22597 0.07445
154 9XZ -0.13785 0.17339 0.27304 0.07445 0.22597
155 9YZ -0.17339 -0.17339 -0.27304 -0.22597 -0.22597
41 42 43 44 45
(T2)--V (A1)--V (T1)--V (T1)--V (T1)--V
Eigenvalues -- 0.73482 0.73604 0.89292 0.89292 0.89292
1 1 C 1S 0.00000 0.02111 0.00000 0.00000 0.00000
2 2S 0.00000 -0.12848 0.00000 0.00000 0.00000
3 3S 0.00000 -0.46859 0.00000 0.00000 0.00000
4 4S 0.00000 118.84123 0.00000 0.00000 0.00000
5 5S 0.00000 -8.78668 0.00000 0.00000 0.00000
6 6PX -0.25532 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 -6.36504 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 36.38755 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 3.76693 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 10XX 0.00000 -0.04709 0.00000 0.00000 0.00000
19 10YY 0.00000 -0.04709 0.00000 0.00000 0.00000
20 10ZZ 0.00000 -0.04709 0.00000 0.00000 0.00000
21 10XY 0.00000 0.00000 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 10YZ -0.04151 0.00000 0.00000 0.00000 0.00000
24 11XX 0.00000 -0.54885 0.00000 0.00000 0.00000
25 11YY 0.00000 -0.54885 0.00000 0.00000 0.00000
26 11ZZ 0.00000 -0.54885 0.00000 0.00000 0.00000
27 11XY 0.00000 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000
29 11YZ -1.98341 0.00000 0.00000 0.00000 0.00000
30 12XX 0.00000 24.65128 0.00000 0.00000 0.00000
31 12YY 0.00000 24.65128 0.00000 0.00000 0.00000
32 12ZZ 0.00000 24.65128 0.00000 0.00000 0.00000
33 12XY 0.00000 0.00000 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000
35 12YZ 5.13362 0.00000 0.00000 0.00000 0.00000
36 13XXX -0.13063 0.00000 0.00000 0.00000 0.00000
37 13YYY 0.00000 0.00000 0.00000 0.00000 0.00000
38 13ZZZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 13XYY -0.13619 0.00000 0.00000 -0.00219 0.00000
40 13XXY 0.00000 0.00000 -0.00219 0.00000 0.00000
41 13XXZ 0.00000 0.00000 0.00000 0.00000 -0.00219
42 13XZZ -0.13619 0.00000 0.00000 0.00219 0.00000
43 13YZZ 0.00000 0.00000 0.00219 0.00000 0.00000
44 13YYZ 0.00000 0.00000 0.00000 0.00000 0.00219
45 13XYZ 0.00000 0.11170 0.00000 0.00000 0.00000
46 14XXX -5.12892 0.00000 0.00000 0.00000 0.00000
47 14YYY 0.00000 0.00000 0.00000 0.00000 0.00000
48 14ZZZ 0.00000 0.00000 0.00000 0.00000 0.00000
49 14XYY -2.94991 0.00000 0.00000 -0.93842 0.00000
50 14XXY 0.00000 0.00000 -0.93842 0.00000 0.00000
51 14XXZ 0.00000 0.00000 0.00000 0.00000 -0.93842
52 14XZZ -2.94991 0.00000 0.00000 0.93842 0.00000
53 14YZZ 0.00000 0.00000 0.93842 0.00000 0.00000
54 14YYZ 0.00000 0.00000 0.00000 0.00000 0.93842
55 14XYZ 0.00000 -0.15672 0.00000 0.00000 0.00000
56 2 H 1S -0.00169 0.17387 0.00000 0.00000 0.00000
57 2S 3.16232 5.45187 0.00000 0.00000 0.00000
58 3S -26.89476 -49.83775 0.00000 0.00000 0.00000
59 4S -2.11609 0.30255 0.00000 0.00000 0.00000
60 5PX 0.01230 0.02160 -0.03107 0.00000 -0.03107
61 5PY 0.00668 0.02160 0.00000 -0.03107 0.03107
62 5PZ 0.00668 0.02160 0.03107 0.03107 0.00000
63 6PX -0.72764 0.11985 0.40120 0.00000 0.40120
64 6PY -0.54255 0.11985 0.00000 0.40120 -0.40120
65 6PZ -0.54255 0.11985 -0.40120 -0.40120 0.00000
66 7PX 2.31694 5.21396 1.28179 0.00000 1.28179
67 7PY 3.40191 5.21396 0.00000 1.28179 -1.28179
68 7PZ 3.40191 5.21396 -1.28179 -1.28179 0.00000
69 8XX 0.03294 0.05789 0.00373 0.00000 0.00373
70 8YY 0.01459 0.05789 0.00000 0.00373 -0.00373
71 8ZZ 0.01459 0.05789 -0.00373 -0.00373 0.00000
72 8XY 0.02126 -0.01461 0.01112 0.01112 0.00000
73 8XZ 0.02126 -0.01461 0.00000 -0.01112 0.01112
74 8YZ 0.01912 -0.01461 -0.01112 0.00000 -0.01112
75 9XX 0.27966 2.30391 -0.74651 0.00000 -0.74651
76 9YY 0.29482 2.30391 0.00000 -0.74651 0.74651
77 9ZZ 0.29482 2.30391 0.74651 0.74651 0.00000
78 9XY 0.22597 -0.12423 -0.41587 -0.41587 0.00000
79 9XZ 0.22597 -0.12423 0.00000 0.41587 -0.41587
80 9YZ 0.07445 -0.12423 0.41587 0.00000 0.41587
81 3 H 1S 0.00169 0.17387 0.00000 0.00000 0.00000
82 2S -3.16232 5.45187 0.00000 0.00000 0.00000
83 3S 26.89476 -49.83775 0.00000 0.00000 0.00000
84 4S 2.11609 0.30255 0.00000 0.00000 0.00000
85 5PX 0.01230 -0.02160 -0.03107 0.00000 0.03107
86 5PY 0.00668 -0.02160 0.00000 -0.03107 -0.03107
87 5PZ -0.00668 0.02160 -0.03107 -0.03107 0.00000
88 6PX -0.72764 -0.11985 0.40120 0.00000 -0.40120
89 6PY -0.54255 -0.11985 0.00000 0.40120 0.40120
90 6PZ 0.54255 0.11985 0.40120 0.40120 0.00000
91 7PX 2.31694 -5.21396 1.28179 0.00000 -1.28179
92 7PY 3.40191 -5.21396 0.00000 1.28179 1.28179
93 7PZ -3.40191 5.21396 1.28179 1.28179 0.00000
94 8XX -0.03294 0.05789 -0.00373 0.00000 0.00373
95 8YY -0.01459 0.05789 0.00000 -0.00373 -0.00373
96 8ZZ -0.01459 0.05789 0.00373 0.00373 0.00000
97 8XY -0.02126 -0.01461 -0.01112 -0.01112 0.00000
98 8XZ 0.02126 0.01461 0.00000 -0.01112 -0.01112
99 8YZ 0.01912 0.01461 -0.01112 0.00000 0.01112
100 9XX -0.27966 2.30391 0.74651 0.00000 -0.74651
101 9YY -0.29482 2.30391 0.00000 0.74651 0.74651
102 9ZZ -0.29482 2.30391 -0.74651 -0.74651 0.00000
103 9XY -0.22597 -0.12423 0.41587 0.41587 0.00000
104 9XZ 0.22597 0.12423 0.00000 0.41587 0.41587
105 9YZ 0.07445 0.12423 0.41587 0.00000 -0.41587
106 4 H 1S 0.00169 0.17387 0.00000 0.00000 0.00000
107 2S -3.16232 5.45187 0.00000 0.00000 0.00000
108 3S 26.89476 -49.83775 0.00000 0.00000 0.00000
109 4S 2.11609 0.30255 0.00000 0.00000 0.00000
110 5PX 0.01230 -0.02160 0.03107 0.00000 -0.03107
111 5PY -0.00668 0.02160 0.00000 0.03107 -0.03107
112 5PZ 0.00668 -0.02160 -0.03107 0.03107 0.00000
113 6PX -0.72764 -0.11985 -0.40120 0.00000 0.40120
114 6PY 0.54255 0.11985 0.00000 -0.40120 0.40120
115 6PZ -0.54255 -0.11985 0.40120 -0.40120 0.00000
116 7PX 2.31694 -5.21396 -1.28179 0.00000 1.28179
117 7PY -3.40191 5.21396 0.00000 -1.28179 1.28179
118 7PZ 3.40191 -5.21396 1.28179 -1.28179 0.00000
119 8XX -0.03294 0.05789 0.00373 0.00000 -0.00373
120 8YY -0.01459 0.05789 0.00000 -0.00373 0.00373
121 8ZZ -0.01459 0.05789 -0.00373 0.00373 0.00000
122 8XY 0.02126 0.01461 -0.01112 0.01112 0.00000
123 8XZ -0.02126 -0.01461 0.00000 0.01112 -0.01112
124 8YZ 0.01912 0.01461 0.01112 0.00000 -0.01112
125 9XX -0.27966 2.30391 -0.74651 0.00000 0.74651
126 9YY -0.29482 2.30391 0.00000 0.74651 -0.74651
127 9ZZ -0.29482 2.30391 0.74651 -0.74651 0.00000
128 9XY 0.22597 0.12423 0.41587 -0.41587 0.00000
129 9XZ -0.22597 -0.12423 0.00000 -0.41587 0.41587
130 9YZ 0.07445 0.12423 -0.41587 0.00000 0.41587
131 5 H 1S -0.00169 0.17387 0.00000 0.00000 0.00000
132 2S 3.16232 5.45187 0.00000 0.00000 0.00000
133 3S -26.89476 -49.83775 0.00000 0.00000 0.00000
134 4S -2.11609 0.30255 0.00000 0.00000 0.00000
135 5PX 0.01230 0.02160 0.03107 0.00000 0.03107
136 5PY -0.00668 -0.02160 0.00000 0.03107 0.03107
137 5PZ -0.00668 -0.02160 0.03107 -0.03107 0.00000
138 6PX -0.72764 0.11985 -0.40120 0.00000 -0.40120
139 6PY 0.54255 -0.11985 0.00000 -0.40120 -0.40120
140 6PZ 0.54255 -0.11985 -0.40120 0.40120 0.00000
141 7PX 2.31694 5.21396 -1.28179 0.00000 -1.28179
142 7PY -3.40191 -5.21396 0.00000 -1.28179 -1.28179
143 7PZ -3.40191 -5.21396 -1.28179 1.28179 0.00000
144 8XX 0.03294 0.05789 -0.00373 0.00000 -0.00373
145 8YY 0.01459 0.05789 0.00000 0.00373 0.00373
146 8ZZ 0.01459 0.05789 0.00373 -0.00373 0.00000
147 8XY -0.02126 0.01461 0.01112 -0.01112 0.00000
148 8XZ -0.02126 0.01461 0.00000 0.01112 0.01112
149 8YZ 0.01912 -0.01461 0.01112 0.00000 0.01112
150 9XX 0.27966 2.30391 0.74651 0.00000 0.74651
151 9YY 0.29482 2.30391 0.00000 -0.74651 -0.74651
152 9ZZ 0.29482 2.30391 -0.74651 0.74651 0.00000
153 9XY -0.22597 0.12423 -0.41587 0.41587 0.00000
154 9XZ -0.22597 0.12423 0.00000 -0.41587 -0.41587
155 9YZ 0.07445 -0.12423 -0.41587 0.00000 -0.41587
46 47 48 49 50
(A1)--V (T2)--V (T2)--V (T2)--V (E)--V
Eigenvalues -- 0.92707 0.93344 0.93344 0.93344 0.96989
1 1 C 1S 0.13301 0.00000 0.00000 0.00000 0.00000
2 2S -0.23391 0.00000 0.00000 0.00000 0.00000
3 3S -2.27260 0.00000 0.00000 0.00000 0.00000
4 4S 121.61512 0.00000 0.00000 0.00000 0.00000
5 5S 0.41029 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.00000 -0.15832 0.00000
7 6PY 0.00000 -0.15832 0.00000 0.00000 0.00000
8 6PZ 0.00000 0.00000 -0.15832 0.00000 0.00000
9 7PX 0.00000 0.00000 0.00000 -1.97785 0.00000
10 7PY 0.00000 -1.97785 0.00000 0.00000 0.00000
11 7PZ 0.00000 0.00000 -1.97785 0.00000 0.00000
12 8PX 0.00000 0.00000 0.00000 17.55088 0.00000
13 8PY 0.00000 17.55088 0.00000 0.00000 0.00000
14 8PZ 0.00000 0.00000 17.55088 0.00000 0.00000
15 9PX 0.00000 0.00000 0.00000 0.58034 0.00000
16 9PY 0.00000 0.58034 0.00000 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.58034 0.00000 0.00000
18 10XX -0.27528 0.00000 0.00000 0.00000 -0.01800
19 10YY -0.27528 0.00000 0.00000 0.00000 -0.04822
20 10ZZ -0.27528 0.00000 0.00000 0.00000 0.06622
21 10XY 0.00000 0.00000 0.09218 0.00000 0.00000
22 10XZ 0.00000 0.09218 0.00000 0.00000 0.00000
23 10YZ 0.00000 0.00000 0.00000 0.09218 0.00000
24 11XX -2.61907 0.00000 0.00000 0.00000 0.49375
25 11YY -2.61907 0.00000 0.00000 0.00000 1.32284
26 11ZZ -2.61907 0.00000 0.00000 0.00000 -1.81659
27 11XY 0.00000 0.00000 -0.43445 0.00000 0.00000
28 11XZ 0.00000 -0.43445 0.00000 0.00000 0.00000
29 11YZ 0.00000 0.00000 0.00000 -0.43445 0.00000
30 12XX 12.22615 0.00000 0.00000 0.00000 -1.01945
31 12YY 12.22615 0.00000 0.00000 0.00000 -2.73126
32 12ZZ 12.22615 0.00000 0.00000 0.00000 3.75071
33 12XY 0.00000 0.00000 0.12362 0.00000 0.00000
34 12XZ 0.00000 0.12362 0.00000 0.00000 0.00000
35 12YZ 0.00000 0.00000 0.00000 0.12362 0.00000
36 13XXX 0.00000 0.00000 0.00000 -0.05599 0.00000
37 13YYY 0.00000 -0.05599 0.00000 0.00000 0.00000
38 13ZZZ 0.00000 0.00000 -0.05599 0.00000 0.00000
39 13XYY 0.00000 0.00000 0.00000 -0.05464 0.00000
40 13XXY 0.00000 -0.05464 0.00000 0.00000 0.00000
41 13XXZ 0.00000 0.00000 -0.05464 0.00000 0.00000
42 13XZZ 0.00000 0.00000 0.00000 -0.05464 0.00000
43 13YZZ 0.00000 -0.05464 0.00000 0.00000 0.00000
44 13YYZ 0.00000 0.00000 -0.05464 0.00000 0.00000
45 13XYZ 0.30002 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.00000 0.00000 -3.07216 0.00000
47 14YYY 0.00000 -3.07216 0.00000 0.00000 0.00000
48 14ZZZ 0.00000 0.00000 -3.07216 0.00000 0.00000
49 14XYY 0.00000 0.00000 0.00000 -1.34941 0.00000
50 14XXY 0.00000 -1.34941 0.00000 0.00000 0.00000
51 14XXZ 0.00000 0.00000 -1.34941 0.00000 0.00000
52 14XZZ 0.00000 0.00000 0.00000 -1.34941 0.00000
53 14YZZ 0.00000 -1.34941 0.00000 0.00000 0.00000
54 14YYZ 0.00000 0.00000 -1.34941 0.00000 0.00000
55 14XYZ 0.67794 0.00000 0.00000 0.00000 0.00000
56 2 H 1S 0.11185 -0.01578 -0.01578 -0.01578 0.00000
57 2S -2.65800 0.64624 0.64624 0.64624 0.00000
58 3S -34.18748 -12.20134 -12.20134 -12.20134 0.00000
59 4S -0.26252 -0.74221 -0.74221 -0.74221 0.00000
60 5PX 0.03242 -0.01011 -0.01011 -0.02435 -0.00200
61 5PY 0.03242 -0.02435 -0.01011 -0.01011 -0.00537
62 5PZ 0.03242 -0.01011 -0.02435 -0.01011 0.00737
63 6PX 0.93331 0.08636 0.08636 0.09595 -0.02141
64 6PY 0.93331 0.09595 0.08636 0.08636 -0.05735
65 6PZ 0.93331 0.08636 0.09595 0.08636 0.07876
66 7PX 4.74207 2.70770 2.70770 2.01123 0.29961
67 7PY 4.74207 2.01123 2.70770 2.70770 0.80269
68 7PZ 4.74207 2.70770 2.01123 2.70770 -1.10230
69 8XX 0.01529 -0.04822 -0.04822 -0.03938 0.00201
70 8YY 0.01529 -0.03938 -0.04822 -0.04822 0.00538
71 8ZZ 0.01529 -0.04822 -0.03938 -0.04822 -0.00739
72 8XY -0.07023 0.00438 -0.01808 0.00438 0.01277
73 8XZ -0.07023 -0.01808 0.00438 0.00438 -0.00930
74 8YZ -0.07023 0.00438 0.00438 -0.01808 -0.00347
75 9XX 0.21846 -0.55608 -0.55608 -0.35491 0.17152
76 9YY 0.21846 -0.35491 -0.55608 -0.55608 0.45954
77 9ZZ 0.21846 -0.55608 -0.35491 -0.55608 -0.63106
78 9XY -0.22437 -0.52217 -0.00356 -0.52217 0.36875
79 9XZ -0.22437 -0.00356 -0.52217 -0.52217 -0.26853
80 9YZ -0.22437 -0.52217 -0.52217 -0.00356 -0.10023
81 3 H 1S 0.11185 0.01578 -0.01578 0.01578 0.00000
82 2S -2.65800 -0.64624 0.64624 -0.64624 0.00000
83 3S -34.18748 12.20134 -12.20134 12.20134 0.00000
84 4S -0.26252 0.74221 -0.74221 0.74221 0.00000
85 5PX -0.03242 -0.01011 0.01011 -0.02435 0.00200
86 5PY -0.03242 -0.02435 0.01011 -0.01011 0.00537
87 5PZ 0.03242 0.01011 -0.02435 0.01011 0.00737
88 6PX -0.93331 0.08636 -0.08636 0.09595 0.02141
89 6PY -0.93331 0.09595 -0.08636 0.08636 0.05735
90 6PZ 0.93331 -0.08636 0.09595 -0.08636 0.07876
91 7PX -4.74207 2.70770 -2.70770 2.01123 -0.29961
92 7PY -4.74207 2.01123 -2.70770 2.70770 -0.80269
93 7PZ 4.74207 -2.70770 2.01123 -2.70770 -1.10230
94 8XX 0.01529 0.04822 -0.04822 0.03938 0.00201
95 8YY 0.01529 0.03938 -0.04822 0.04822 0.00538
96 8ZZ 0.01529 0.04822 -0.03938 0.04822 -0.00739
97 8XY -0.07023 -0.00438 -0.01808 -0.00438 0.01277
98 8XZ 0.07023 -0.01808 -0.00438 0.00438 0.00930
99 8YZ 0.07023 0.00438 -0.00438 -0.01808 0.00347
100 9XX 0.21846 0.55608 -0.55608 0.35491 0.17152
101 9YY 0.21846 0.35491 -0.55608 0.55608 0.45954
102 9ZZ 0.21846 0.55608 -0.35491 0.55608 -0.63106
103 9XY -0.22437 0.52217 -0.00356 0.52217 0.36875
104 9XZ 0.22437 -0.00356 0.52217 -0.52217 0.26853
105 9YZ 0.22437 -0.52217 0.52217 -0.00356 0.10023
106 4 H 1S 0.11185 -0.01578 0.01578 0.01578 0.00000
107 2S -2.65800 0.64624 -0.64624 -0.64624 0.00000
108 3S -34.18748 -12.20134 12.20134 12.20134 0.00000
109 4S -0.26252 -0.74221 0.74221 0.74221 0.00000
110 5PX -0.03242 0.01011 -0.01011 -0.02435 0.00200
111 5PY 0.03242 -0.02435 0.01011 0.01011 -0.00537
112 5PZ -0.03242 0.01011 -0.02435 -0.01011 -0.00737
113 6PX -0.93331 -0.08636 0.08636 0.09595 0.02141
114 6PY 0.93331 0.09595 -0.08636 -0.08636 -0.05735
115 6PZ -0.93331 -0.08636 0.09595 0.08636 -0.07876
116 7PX -4.74207 -2.70770 2.70770 2.01123 -0.29961
117 7PY 4.74207 2.01123 -2.70770 -2.70770 0.80269
118 7PZ -4.74207 -2.70770 2.01123 2.70770 1.10230
119 8XX 0.01529 -0.04822 0.04822 0.03938 0.00201
120 8YY 0.01529 -0.03938 0.04822 0.04822 0.00538
121 8ZZ 0.01529 -0.04822 0.03938 0.04822 -0.00739
122 8XY 0.07023 -0.00438 -0.01808 0.00438 -0.01277
123 8XZ -0.07023 -0.01808 -0.00438 -0.00438 -0.00930
124 8YZ 0.07023 -0.00438 0.00438 -0.01808 0.00347
125 9XX 0.21846 -0.55608 0.55608 0.35491 0.17152
126 9YY 0.21846 -0.35491 0.55608 0.55608 0.45954
127 9ZZ 0.21846 -0.55608 0.35491 0.55608 -0.63106
128 9XY 0.22437 0.52217 -0.00356 -0.52217 -0.36875
129 9XZ -0.22437 -0.00356 0.52217 0.52217 -0.26853
130 9YZ 0.22437 0.52217 -0.52217 -0.00356 0.10023
131 5 H 1S 0.11185 0.01578 0.01578 -0.01578 0.00000
132 2S -2.65800 -0.64624 -0.64624 0.64624 0.00000
133 3S -34.18748 12.20134 12.20134 -12.20134 0.00000
134 4S -0.26252 0.74221 0.74221 -0.74221 0.00000
135 5PX 0.03242 0.01011 0.01011 -0.02435 -0.00200
136 5PY -0.03242 -0.02435 -0.01011 0.01011 0.00537
137 5PZ -0.03242 -0.01011 -0.02435 0.01011 -0.00737
138 6PX 0.93331 -0.08636 -0.08636 0.09595 -0.02141
139 6PY -0.93331 0.09595 0.08636 -0.08636 0.05735
140 6PZ -0.93331 0.08636 0.09595 -0.08636 -0.07876
141 7PX 4.74207 -2.70770 -2.70770 2.01123 0.29961
142 7PY -4.74207 2.01123 2.70770 -2.70770 -0.80269
143 7PZ -4.74207 2.70770 2.01123 -2.70770 1.10230
144 8XX 0.01529 0.04822 0.04822 -0.03938 0.00201
145 8YY 0.01529 0.03938 0.04822 -0.04822 0.00538
146 8ZZ 0.01529 0.04822 0.03938 -0.04822 -0.00739
147 8XY 0.07023 0.00438 -0.01808 -0.00438 -0.01277
148 8XZ 0.07023 -0.01808 0.00438 -0.00438 0.00930
149 8YZ -0.07023 -0.00438 -0.00438 -0.01808 -0.00347
150 9XX 0.21846 0.55608 0.55608 -0.35491 0.17152
151 9YY 0.21846 0.35491 0.55608 -0.55608 0.45954
152 9ZZ 0.21846 0.55608 0.35491 -0.55608 -0.63106
153 9XY 0.22437 -0.52217 -0.00356 0.52217 -0.36875
154 9XZ 0.22437 -0.00356 -0.52217 0.52217 0.26853
155 9YZ -0.22437 0.52217 0.52217 -0.00356 -0.10023
51 52 53 54 55
(E)--V (T2)--V (T2)--V (T2)--V (T1)--V
Eigenvalues -- 0.96989 1.04179 1.04179 1.04179 1.08621
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.11405 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.11405 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.11405 0.00000
9 7PX 0.00000 0.34731 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.34731 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.34731 0.00000
12 8PX 0.00000 -13.18515 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 -13.18515 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 -13.18515 0.00000
15 9PX 0.00000 -0.16497 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 -0.16497 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 -0.16497 0.00000
18 10XX 0.06607 0.00000 0.00000 0.00000 0.00000
19 10YY -0.04862 0.00000 0.00000 0.00000 0.00000
20 10ZZ -0.01745 0.00000 0.00000 0.00000 0.00000
21 10XY 0.00000 0.00000 0.00000 -0.01856 0.00000
22 10XZ 0.00000 0.00000 -0.01856 0.00000 0.00000
23 10YZ 0.00000 -0.01856 0.00000 0.00000 0.00000
24 11XX -1.81255 0.00000 0.00000 0.00000 0.00000
25 11YY 1.33388 0.00000 0.00000 0.00000 0.00000
26 11ZZ 0.47867 0.00000 0.00000 0.00000 0.00000
27 11XY 0.00000 0.00000 0.00000 -2.33212 0.00000
28 11XZ 0.00000 0.00000 -2.33212 0.00000 0.00000
29 11YZ 0.00000 -2.33212 0.00000 0.00000 0.00000
30 12XX 3.74236 0.00000 0.00000 0.00000 0.00000
31 12YY -2.75405 0.00000 0.00000 0.00000 0.00000
32 12ZZ -0.98832 0.00000 0.00000 0.00000 0.00000
33 12XY 0.00000 0.00000 0.00000 -5.85487 0.00000
34 12XZ 0.00000 0.00000 -5.85487 0.00000 0.00000
35 12YZ 0.00000 -5.85487 0.00000 0.00000 0.00000
36 13XXX 0.00000 0.05644 0.00000 0.00000 0.00000
37 13YYY 0.00000 0.00000 0.05644 0.00000 0.00000
38 13ZZZ 0.00000 0.00000 0.00000 0.05644 0.00000
39 13XYY 0.00000 -0.09366 0.00000 0.00000 0.01056
40 13XXY 0.00000 0.00000 -0.09366 0.00000 0.00000
41 13XXZ 0.00000 0.00000 0.00000 -0.09366 0.00000
42 13XZZ 0.00000 -0.09366 0.00000 0.00000 -0.01056
43 13YZZ 0.00000 0.00000 -0.09366 0.00000 0.00000
44 13YYZ 0.00000 0.00000 0.00000 -0.09366 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 1.71614 0.00000 0.00000 0.00000
47 14YYY 0.00000 0.00000 1.71614 0.00000 0.00000
48 14ZZZ 0.00000 0.00000 0.00000 1.71614 0.00000
49 14XYY 0.00000 0.62776 0.00000 0.00000 0.48477
50 14XXY 0.00000 0.00000 0.62776 0.00000 0.00000
51 14XXZ 0.00000 0.00000 0.00000 0.62776 0.00000
52 14XZZ 0.00000 0.62776 0.00000 0.00000 -0.48477
53 14YZZ 0.00000 0.00000 0.62776 0.00000 0.00000
54 14YYZ 0.00000 0.00000 0.00000 0.62776 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S 0.00000 0.02653 0.02653 0.02653 0.00000
57 2S 0.00000 2.12388 2.12388 2.12388 0.00000
58 3S 0.00000 13.58953 13.58953 13.58953 0.00000
59 4S 0.00000 0.38566 0.38566 0.38566 0.00000
60 5PX 0.00736 0.00481 -0.01274 -0.01274 0.00000
61 5PY -0.00542 -0.01274 0.00481 -0.01274 0.00851
62 5PZ -0.00194 -0.01274 -0.01274 0.00481 -0.00851
63 6PX 0.07859 -0.76526 -0.42754 -0.42754 0.00000
64 6PY -0.05783 -0.42754 -0.76526 -0.42754 -0.24245
65 6PZ -0.02075 -0.42754 -0.42754 -0.76526 0.24245
66 7PX -1.09985 -3.45897 -0.97874 -0.97874 0.00000
67 7PY 0.80939 -0.97874 -3.45897 -0.97874 0.15988
68 7PZ 0.29046 -0.97874 -0.97874 -3.45897 -0.15988
69 8XX -0.00738 0.04213 0.05539 0.05539 0.00000
70 8YY 0.00543 0.05539 0.04213 0.05539 -0.01555
71 8ZZ 0.00195 0.05539 0.05539 0.04213 0.01555
72 8XY -0.00336 0.02888 0.02888 0.01311 0.02487
73 8XZ -0.00938 0.02888 0.01311 0.02888 -0.02487
74 8YZ 0.01274 0.01311 0.02888 0.02888 0.00000
75 9XX -0.62966 1.46918 0.02497 0.02497 0.00000
76 9YY 0.46337 0.02497 1.46918 0.02497 0.58718
77 9ZZ 0.16629 0.02497 0.02497 1.46918 -0.58718
78 9XY -0.09717 0.17262 0.17262 0.26843 -0.46076
79 9XZ -0.27077 0.17262 0.26843 0.17262 0.46076
80 9YZ 0.36793 0.26843 0.17262 0.17262 0.00000
81 3 H 1S 0.00000 -0.02653 -0.02653 0.02653 0.00000
82 2S 0.00000 -2.12388 -2.12388 2.12388 0.00000
83 3S 0.00000 -13.58953 -13.58953 13.58953 0.00000
84 4S 0.00000 -0.38566 -0.38566 0.38566 0.00000
85 5PX -0.00736 0.00481 -0.01274 0.01274 0.00000
86 5PY 0.00542 -0.01274 0.00481 0.01274 0.00851
87 5PZ -0.00194 0.01274 0.01274 0.00481 0.00851
88 6PX -0.07859 -0.76526 -0.42754 0.42754 0.00000
89 6PY 0.05783 -0.42754 -0.76526 0.42754 -0.24245
90 6PZ -0.02075 0.42754 0.42754 -0.76526 -0.24245
91 7PX 1.09985 -3.45897 -0.97874 0.97874 0.00000
92 7PY -0.80939 -0.97874 -3.45897 0.97874 0.15988
93 7PZ 0.29046 0.97874 0.97874 -3.45897 0.15988
94 8XX -0.00738 -0.04213 -0.05539 0.05539 0.00000
95 8YY 0.00543 -0.05539 -0.04213 0.05539 0.01555
96 8ZZ 0.00195 -0.05539 -0.05539 0.04213 -0.01555
97 8XY -0.00336 -0.02888 -0.02888 0.01311 -0.02487
98 8XZ 0.00938 0.02888 0.01311 -0.02888 -0.02487
99 8YZ -0.01274 0.01311 0.02888 -0.02888 0.00000
100 9XX -0.62966 -1.46918 -0.02497 0.02497 0.00000
101 9YY 0.46337 -0.02497 -1.46918 0.02497 -0.58718
102 9ZZ 0.16629 -0.02497 -0.02497 1.46918 0.58718
103 9XY -0.09717 -0.17262 -0.17262 0.26843 0.46076
104 9XZ 0.27077 0.17262 0.26843 -0.17262 0.46076
105 9YZ -0.36793 0.26843 0.17262 -0.17262 0.00000
106 4 H 1S 0.00000 -0.02653 0.02653 -0.02653 0.00000
107 2S 0.00000 -2.12388 2.12388 -2.12388 0.00000
108 3S 0.00000 -13.58953 13.58953 -13.58953 0.00000
109 4S 0.00000 -0.38566 0.38566 -0.38566 0.00000
110 5PX -0.00736 0.00481 0.01274 -0.01274 0.00000
111 5PY -0.00542 0.01274 0.00481 0.01274 -0.00851
112 5PZ 0.00194 -0.01274 0.01274 0.00481 -0.00851
113 6PX -0.07859 -0.76526 0.42754 -0.42754 0.00000
114 6PY -0.05783 0.42754 -0.76526 0.42754 0.24245
115 6PZ 0.02075 -0.42754 0.42754 -0.76526 0.24245
116 7PX 1.09985 -3.45897 0.97874 -0.97874 0.00000
117 7PY 0.80939 0.97874 -3.45897 0.97874 -0.15988
118 7PZ -0.29046 -0.97874 0.97874 -3.45897 -0.15988
119 8XX -0.00738 -0.04213 0.05539 -0.05539 0.00000
120 8YY 0.00543 -0.05539 0.04213 -0.05539 0.01555
121 8ZZ 0.00195 -0.05539 0.05539 -0.04213 -0.01555
122 8XY 0.00336 0.02888 -0.02888 0.01311 0.02487
123 8XZ -0.00938 -0.02888 0.01311 -0.02888 0.02487
124 8YZ -0.01274 0.01311 -0.02888 0.02888 0.00000
125 9XX -0.62966 -1.46918 0.02497 -0.02497 0.00000
126 9YY 0.46337 -0.02497 1.46918 -0.02497 -0.58718
127 9ZZ 0.16629 -0.02497 0.02497 -1.46918 0.58718
128 9XY 0.09717 0.17262 -0.17262 0.26843 -0.46076
129 9XZ -0.27077 -0.17262 0.26843 -0.17262 -0.46076
130 9YZ -0.36793 0.26843 -0.17262 0.17262 0.00000
131 5 H 1S 0.00000 0.02653 -0.02653 -0.02653 0.00000
132 2S 0.00000 2.12388 -2.12388 -2.12388 0.00000
133 3S 0.00000 13.58953 -13.58953 -13.58953 0.00000
134 4S 0.00000 0.38566 -0.38566 -0.38566 0.00000
135 5PX 0.00736 0.00481 0.01274 0.01274 0.00000
136 5PY 0.00542 0.01274 0.00481 -0.01274 -0.00851
137 5PZ 0.00194 0.01274 -0.01274 0.00481 0.00851
138 6PX 0.07859 -0.76526 0.42754 0.42754 0.00000
139 6PY 0.05783 0.42754 -0.76526 -0.42754 0.24245
140 6PZ 0.02075 0.42754 -0.42754 -0.76526 -0.24245
141 7PX -1.09985 -3.45897 0.97874 0.97874 0.00000
142 7PY -0.80939 0.97874 -3.45897 -0.97874 -0.15988
143 7PZ -0.29046 0.97874 -0.97874 -3.45897 0.15988
144 8XX -0.00738 0.04213 -0.05539 -0.05539 0.00000
145 8YY 0.00543 0.05539 -0.04213 -0.05539 -0.01555
146 8ZZ 0.00195 0.05539 -0.05539 -0.04213 0.01555
147 8XY 0.00336 -0.02888 0.02888 0.01311 -0.02487
148 8XZ 0.00938 -0.02888 0.01311 0.02888 0.02487
149 8YZ 0.01274 0.01311 -0.02888 -0.02888 0.00000
150 9XX -0.62966 1.46918 -0.02497 -0.02497 0.00000
151 9YY 0.46337 0.02497 -1.46918 -0.02497 0.58718
152 9ZZ 0.16629 0.02497 -0.02497 -1.46918 -0.58718
153 9XY 0.09717 -0.17262 0.17262 0.26843 0.46076
154 9XZ 0.27077 -0.17262 0.26843 0.17262 -0.46076
155 9YZ 0.36793 0.26843 -0.17262 -0.17262 0.00000
56 57 58 59 60
(T1)--V (T1)--V (T2)--V (T2)--V (T2)--V
Eigenvalues -- 1.08621 1.08621 1.10393 1.10393 1.10393
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.00000 0.00000 -0.09073
7 6PY 0.00000 0.00000 -0.09073 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 -0.09073 0.00000
9 7PX 0.00000 0.00000 0.00000 0.00000 3.08564
10 7PY 0.00000 0.00000 3.08564 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 3.08564 0.00000
12 8PX 0.00000 0.00000 0.00000 0.00000 -13.21314
13 8PY 0.00000 0.00000 -13.21314 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 -13.21314 0.00000
15 9PX 0.00000 0.00000 0.00000 0.00000 0.54594
16 9PY 0.00000 0.00000 0.54594 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 0.54594 0.00000
18 10XX 0.00000 0.00000 0.00000 0.00000 0.00000
19 10YY 0.00000 0.00000 0.00000 0.00000 0.00000
20 10ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 10XY 0.00000 0.00000 0.00000 0.08464 0.00000
22 10XZ 0.00000 0.00000 0.08464 0.00000 0.00000
23 10YZ 0.00000 0.00000 0.00000 0.00000 0.08464
24 11XX 0.00000 0.00000 0.00000 0.00000 0.00000
25 11YY 0.00000 0.00000 0.00000 0.00000 0.00000
26 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
27 11XY 0.00000 0.00000 0.00000 -1.65648 0.00000
28 11XZ 0.00000 0.00000 -1.65648 0.00000 0.00000
29 11YZ 0.00000 0.00000 0.00000 0.00000 -1.65648
30 12XX 0.00000 0.00000 0.00000 0.00000 0.00000
31 12YY 0.00000 0.00000 0.00000 0.00000 0.00000
32 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
33 12XY 0.00000 0.00000 0.00000 -2.05884 0.00000
34 12XZ 0.00000 0.00000 -2.05884 0.00000 0.00000
35 12YZ 0.00000 0.00000 0.00000 0.00000 -2.05884
36 13XXX 0.00000 0.00000 0.00000 0.00000 0.01393
37 13YYY 0.00000 0.00000 0.01393 0.00000 0.00000
38 13ZZZ 0.00000 0.00000 0.00000 0.01393 0.00000
39 13XYY 0.00000 0.00000 0.00000 0.00000 0.01268
40 13XXY 0.01056 0.00000 0.01268 0.00000 0.00000
41 13XXZ 0.00000 0.01056 0.00000 0.01268 0.00000
42 13XZZ 0.00000 0.00000 0.00000 0.00000 0.01268
43 13YZZ -0.01056 0.00000 0.01268 0.00000 0.00000
44 13YYZ 0.00000 -0.01056 0.00000 0.01268 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.00000 0.00000 0.00000 4.90446
47 14YYY 0.00000 0.00000 4.90446 0.00000 0.00000
48 14ZZZ 0.00000 0.00000 0.00000 4.90446 0.00000
49 14XYY 0.00000 0.00000 0.00000 0.00000 0.47806
50 14XXY 0.48477 0.00000 0.47806 0.00000 0.00000
51 14XXZ 0.00000 0.48477 0.00000 0.47806 0.00000
52 14XZZ 0.00000 0.00000 0.00000 0.00000 0.47806
53 14YZZ -0.48477 0.00000 0.47806 0.00000 0.00000
54 14YYZ 0.00000 -0.48477 0.00000 0.47806 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S 0.00000 0.00000 0.05822 0.05822 0.05822
57 2S 0.00000 0.00000 -0.53013 -0.53013 -0.53013
58 3S 0.00000 0.00000 17.67743 17.67743 17.67743
59 4S 0.00000 0.00000 -0.33607 -0.33607 -0.33607
60 5PX 0.00851 0.00851 -0.03165 -0.03165 0.01859
61 5PY 0.00000 -0.00851 0.01859 -0.03165 -0.03165
62 5PZ -0.00851 0.00000 -0.03165 0.01859 -0.03165
63 6PX -0.24245 -0.24245 0.32079 0.32079 -0.72415
64 6PY 0.00000 0.24245 -0.72415 0.32079 0.32079
65 6PZ 0.24245 0.00000 0.32079 -0.72415 0.32079
66 7PX 0.15988 0.15988 -1.93341 -1.93341 -4.18789
67 7PY 0.00000 -0.15988 -4.18789 -1.93341 -1.93341
68 7PZ -0.15988 0.00000 -1.93341 -4.18789 -1.93341
69 8XX -0.01555 -0.01555 -0.02209 -0.02209 -0.00294
70 8YY 0.00000 0.01555 -0.00294 -0.02209 -0.02209
71 8ZZ 0.01555 0.00000 -0.02209 -0.00294 -0.02209
72 8XY 0.02487 0.00000 -0.00475 -0.00396 -0.00475
73 8XZ 0.00000 0.02487 -0.00396 -0.00475 -0.00475
74 8YZ -0.02487 -0.02487 -0.00475 -0.00475 -0.00396
75 9XX 0.58718 0.58718 -1.19620 -1.19620 -0.29635
76 9YY 0.00000 -0.58718 -0.29635 -1.19620 -1.19620
77 9ZZ -0.58718 0.00000 -1.19620 -0.29635 -1.19620
78 9XY -0.46076 0.00000 0.55987 -0.98009 0.55987
79 9XZ 0.00000 -0.46076 -0.98009 0.55987 0.55987
80 9YZ 0.46076 0.46076 0.55987 0.55987 -0.98009
81 3 H 1S 0.00000 0.00000 -0.05822 0.05822 -0.05822
82 2S 0.00000 0.00000 0.53013 -0.53013 0.53013
83 3S 0.00000 0.00000 -17.67743 17.67743 -17.67743
84 4S 0.00000 0.00000 0.33607 -0.33607 0.33607
85 5PX 0.00851 -0.00851 -0.03165 0.03165 0.01859
86 5PY 0.00000 0.00851 0.01859 0.03165 -0.03165
87 5PZ 0.00851 0.00000 0.03165 0.01859 0.03165
88 6PX -0.24245 0.24245 0.32079 -0.32079 -0.72415
89 6PY 0.00000 -0.24245 -0.72415 -0.32079 0.32079
90 6PZ -0.24245 0.00000 -0.32079 -0.72415 -0.32079
91 7PX 0.15988 -0.15988 -1.93341 1.93341 -4.18789
92 7PY 0.00000 0.15988 -4.18789 1.93341 -1.93341
93 7PZ 0.15988 0.00000 1.93341 -4.18789 1.93341
94 8XX 0.01555 -0.01555 0.02209 -0.02209 0.00294
95 8YY 0.00000 0.01555 0.00294 -0.02209 0.02209
96 8ZZ -0.01555 0.00000 0.02209 -0.00294 0.02209
97 8XY -0.02487 0.00000 0.00475 -0.00396 0.00475
98 8XZ 0.00000 -0.02487 -0.00396 0.00475 -0.00475
99 8YZ -0.02487 0.02487 -0.00475 0.00475 -0.00396
100 9XX -0.58718 0.58718 1.19620 -1.19620 0.29635
101 9YY 0.00000 -0.58718 0.29635 -1.19620 1.19620
102 9ZZ 0.58718 0.00000 1.19620 -0.29635 1.19620
103 9XY 0.46076 0.00000 -0.55987 -0.98009 -0.55987
104 9XZ 0.00000 0.46076 -0.98009 -0.55987 0.55987
105 9YZ 0.46076 -0.46076 0.55987 -0.55987 -0.98009
106 4 H 1S 0.00000 0.00000 0.05822 -0.05822 -0.05822
107 2S 0.00000 0.00000 -0.53013 0.53013 0.53013
108 3S 0.00000 0.00000 17.67743 -17.67743 -17.67743
109 4S 0.00000 0.00000 -0.33607 0.33607 0.33607
110 5PX -0.00851 0.00851 0.03165 -0.03165 0.01859
111 5PY 0.00000 0.00851 0.01859 0.03165 0.03165
112 5PZ 0.00851 0.00000 0.03165 0.01859 -0.03165
113 6PX 0.24245 -0.24245 -0.32079 0.32079 -0.72415
114 6PY 0.00000 -0.24245 -0.72415 -0.32079 -0.32079
115 6PZ -0.24245 0.00000 -0.32079 -0.72415 0.32079
116 7PX -0.15988 0.15988 1.93341 -1.93341 -4.18789
117 7PY 0.00000 0.15988 -4.18789 1.93341 1.93341
118 7PZ 0.15988 0.00000 1.93341 -4.18789 -1.93341
119 8XX -0.01555 0.01555 -0.02209 0.02209 0.00294
120 8YY 0.00000 -0.01555 -0.00294 0.02209 0.02209
121 8ZZ 0.01555 0.00000 -0.02209 0.00294 0.02209
122 8XY -0.02487 0.00000 0.00475 -0.00396 -0.00475
123 8XZ 0.00000 -0.02487 -0.00396 0.00475 0.00475
124 8YZ 0.02487 -0.02487 0.00475 -0.00475 -0.00396
125 9XX 0.58718 -0.58718 -1.19620 1.19620 0.29635
126 9YY 0.00000 0.58718 -0.29635 1.19620 1.19620
127 9ZZ -0.58718 0.00000 -1.19620 0.29635 1.19620
128 9XY 0.46076 0.00000 -0.55987 -0.98009 0.55987
129 9XZ 0.00000 0.46076 -0.98009 -0.55987 -0.55987
130 9YZ -0.46076 0.46076 -0.55987 0.55987 -0.98009
131 5 H 1S 0.00000 0.00000 -0.05822 -0.05822 0.05822
132 2S 0.00000 0.00000 0.53013 0.53013 -0.53013
133 3S 0.00000 0.00000 -17.67743 -17.67743 17.67743
134 4S 0.00000 0.00000 0.33607 0.33607 -0.33607
135 5PX -0.00851 -0.00851 0.03165 0.03165 0.01859
136 5PY 0.00000 -0.00851 0.01859 -0.03165 0.03165
137 5PZ -0.00851 0.00000 -0.03165 0.01859 0.03165
138 6PX 0.24245 0.24245 -0.32079 -0.32079 -0.72415
139 6PY 0.00000 0.24245 -0.72415 0.32079 -0.32079
140 6PZ 0.24245 0.00000 0.32079 -0.72415 -0.32079
141 7PX -0.15988 -0.15988 1.93341 1.93341 -4.18789
142 7PY 0.00000 -0.15988 -4.18789 -1.93341 1.93341
143 7PZ -0.15988 0.00000 -1.93341 -4.18789 1.93341
144 8XX 0.01555 0.01555 0.02209 0.02209 -0.00294
145 8YY 0.00000 -0.01555 0.00294 0.02209 -0.02209
146 8ZZ -0.01555 0.00000 0.02209 0.00294 -0.02209
147 8XY 0.02487 0.00000 -0.00475 -0.00396 0.00475
148 8XZ 0.00000 0.02487 -0.00396 -0.00475 0.00475
149 8YZ 0.02487 0.02487 0.00475 0.00475 -0.00396
150 9XX -0.58718 -0.58718 1.19620 1.19620 -0.29635
151 9YY 0.00000 0.58718 0.29635 1.19620 -1.19620
152 9ZZ 0.58718 0.00000 1.19620 0.29635 -1.19620
153 9XY -0.46076 0.00000 0.55987 -0.98009 -0.55987
154 9XZ 0.00000 -0.46076 -0.98009 0.55987 -0.55987
155 9YZ -0.46076 -0.46076 -0.55987 -0.55987 -0.98009
61 62 63 64 65
(E)--V (E)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 1.11889 1.11889 1.26446 1.26446 1.27220
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 -0.06692
2 2S 0.00000 0.00000 0.00000 0.00000 -0.02109
3 3S 0.00000 0.00000 0.00000 0.00000 -1.02287
4 4S 0.00000 0.00000 0.00000 0.00000 33.11050
5 5S 0.00000 0.00000 0.00000 0.00000 4.15403
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
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17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
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19 10YY 0.05088 0.07495 0.04749 -0.00644 -0.08870
20 10ZZ -0.09035 0.00658 -0.02932 -0.03791 -0.08870
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24 11XX -0.55207 1.14040 0.24009 -0.58604 -1.19048
25 11YY -0.71158 -1.04831 -0.62757 0.08509 -1.19048
26 11ZZ 1.26366 -0.09209 0.38748 0.50094 -1.19048
27 11XY 0.00000 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000
29 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000
30 12XX -3.25602 6.72587 -1.09118 2.66347 5.59689
31 12YY -4.19677 -6.18273 2.85222 -0.38675 5.59689
32 12ZZ 7.45278 -0.54314 -1.76104 -2.27672 5.59689
33 12XY 0.00000 0.00000 0.00000 0.00000 0.00000
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52 14XZZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 14YZZ 0.00000 0.00000 0.00000 0.00000 0.00000
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55 14XYZ 0.00000 0.00000 0.00000 0.00000 -0.83837
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57 2S 0.00000 0.00000 0.00000 0.00000 2.08810
58 3S 0.00000 0.00000 0.00000 0.00000 -16.52560
59 4S 0.00000 0.00000 0.00000 0.00000 -0.26810
60 5PX -0.01150 0.02375 0.00480 -0.01171 0.03894
61 5PY -0.01482 -0.02183 -0.01254 0.00170 0.03894
62 5PZ 0.02632 -0.00192 0.00774 0.01001 0.03894
63 6PX 0.27745 -0.57312 -0.11631 0.28389 0.18761
64 6PY 0.35761 0.52684 0.30401 -0.04122 0.18761
65 6PZ -0.63506 0.04628 -0.18771 -0.24267 0.18761
66 7PX 1.41854 -2.93024 0.27395 -0.66869 1.28778
67 7PY 1.82840 2.69361 -0.71608 0.09710 1.28778
68 7PZ -3.24694 0.23663 0.44213 0.57159 1.28778
69 8XX -0.01094 0.02260 -0.01223 0.02984 0.07542
70 8YY -0.01410 -0.02078 0.03196 -0.00433 0.07542
71 8ZZ 0.02505 -0.00183 -0.01973 -0.02551 0.07542
72 8XY -0.00362 0.00026 -0.01506 -0.01946 -0.04947
73 8XZ 0.00204 0.00300 0.02438 -0.00331 -0.04947
74 8YZ 0.00158 -0.00327 -0.00933 0.02277 -0.04947
75 9XX -0.12407 0.25629 0.43988 -1.07371 1.63283
76 9YY -0.15992 -0.23559 -1.14980 0.15591 1.63283
77 9ZZ 0.28398 -0.02070 0.70992 0.91781 1.63283
78 9XY -0.70803 0.05160 0.08035 0.10388 0.11068
79 9XZ 0.39870 0.58737 -0.13014 0.01765 0.11068
80 9YZ 0.30933 -0.63897 0.04979 -0.12153 0.11068
81 3 H 1S 0.00000 0.00000 0.00000 0.00000 0.01745
82 2S 0.00000 0.00000 0.00000 0.00000 2.08810
83 3S 0.00000 0.00000 0.00000 0.00000 -16.52560
84 4S 0.00000 0.00000 0.00000 0.00000 -0.26810
85 5PX 0.01150 -0.02375 -0.00480 0.01171 -0.03894
86 5PY 0.01482 0.02183 0.01254 -0.00170 -0.03894
87 5PZ 0.02632 -0.00192 0.00774 0.01001 0.03894
88 6PX -0.27745 0.57312 0.11631 -0.28389 -0.18761
89 6PY -0.35761 -0.52684 -0.30401 0.04122 -0.18761
90 6PZ -0.63506 0.04628 -0.18771 -0.24267 0.18761
91 7PX -1.41854 2.93024 -0.27395 0.66869 -1.28778
92 7PY -1.82840 -2.69361 0.71608 -0.09710 -1.28778
93 7PZ -3.24694 0.23663 0.44213 0.57159 1.28778
94 8XX -0.01094 0.02260 -0.01223 0.02984 0.07542
95 8YY -0.01410 -0.02078 0.03196 -0.00433 0.07542
96 8ZZ 0.02505 -0.00183 -0.01973 -0.02551 0.07542
97 8XY -0.00362 0.00026 -0.01506 -0.01946 -0.04947
98 8XZ -0.00204 -0.00300 -0.02438 0.00331 0.04947
99 8YZ -0.00158 0.00327 0.00933 -0.02277 0.04947
100 9XX -0.12407 0.25629 0.43988 -1.07371 1.63283
101 9YY -0.15992 -0.23559 -1.14980 0.15591 1.63283
102 9ZZ 0.28398 -0.02070 0.70992 0.91781 1.63283
103 9XY -0.70803 0.05160 0.08035 0.10388 0.11068
104 9XZ -0.39870 -0.58737 0.13014 -0.01765 -0.11068
105 9YZ -0.30933 0.63897 -0.04979 0.12153 -0.11068
106 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.01745
107 2S 0.00000 0.00000 0.00000 0.00000 2.08810
108 3S 0.00000 0.00000 0.00000 0.00000 -16.52560
109 4S 0.00000 0.00000 0.00000 0.00000 -0.26810
110 5PX 0.01150 -0.02375 -0.00480 0.01171 -0.03894
111 5PY -0.01482 -0.02183 -0.01254 0.00170 0.03894
112 5PZ -0.02632 0.00192 -0.00774 -0.01001 -0.03894
113 6PX -0.27745 0.57312 0.11631 -0.28389 -0.18761
114 6PY 0.35761 0.52684 0.30401 -0.04122 0.18761
115 6PZ 0.63506 -0.04628 0.18771 0.24267 -0.18761
116 7PX -1.41854 2.93024 -0.27395 0.66869 -1.28778
117 7PY 1.82840 2.69361 -0.71608 0.09710 1.28778
118 7PZ 3.24694 -0.23663 -0.44213 -0.57159 -1.28778
119 8XX -0.01094 0.02260 -0.01223 0.02984 0.07542
120 8YY -0.01410 -0.02078 0.03196 -0.00433 0.07542
121 8ZZ 0.02505 -0.00183 -0.01973 -0.02551 0.07542
122 8XY 0.00362 -0.00026 0.01506 0.01946 0.04947
123 8XZ 0.00204 0.00300 0.02438 -0.00331 -0.04947
124 8YZ -0.00158 0.00327 0.00933 -0.02277 0.04947
125 9XX -0.12407 0.25629 0.43988 -1.07371 1.63283
126 9YY -0.15992 -0.23559 -1.14980 0.15591 1.63283
127 9ZZ 0.28398 -0.02070 0.70992 0.91781 1.63283
128 9XY 0.70803 -0.05160 -0.08035 -0.10388 -0.11068
129 9XZ 0.39870 0.58737 -0.13014 0.01765 0.11068
130 9YZ -0.30933 0.63897 -0.04979 0.12153 -0.11068
131 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.01745
132 2S 0.00000 0.00000 0.00000 0.00000 2.08810
133 3S 0.00000 0.00000 0.00000 0.00000 -16.52560
134 4S 0.00000 0.00000 0.00000 0.00000 -0.26810
135 5PX -0.01150 0.02375 0.00480 -0.01171 0.03894
136 5PY 0.01482 0.02183 0.01254 -0.00170 -0.03894
137 5PZ -0.02632 0.00192 -0.00774 -0.01001 -0.03894
138 6PX 0.27745 -0.57312 -0.11631 0.28389 0.18761
139 6PY -0.35761 -0.52684 -0.30401 0.04122 -0.18761
140 6PZ 0.63506 -0.04628 0.18771 0.24267 -0.18761
141 7PX 1.41854 -2.93024 0.27395 -0.66869 1.28778
142 7PY -1.82840 -2.69361 0.71608 -0.09710 -1.28778
143 7PZ 3.24694 -0.23663 -0.44213 -0.57159 -1.28778
144 8XX -0.01094 0.02260 -0.01223 0.02984 0.07542
145 8YY -0.01410 -0.02078 0.03196 -0.00433 0.07542
146 8ZZ 0.02505 -0.00183 -0.01973 -0.02551 0.07542
147 8XY 0.00362 -0.00026 0.01506 0.01946 0.04947
148 8XZ -0.00204 -0.00300 -0.02438 0.00331 0.04947
149 8YZ 0.00158 -0.00327 -0.00933 0.02277 -0.04947
150 9XX -0.12407 0.25629 0.43988 -1.07371 1.63283
151 9YY -0.15992 -0.23559 -1.14980 0.15591 1.63283
152 9ZZ 0.28398 -0.02070 0.70992 0.91781 1.63283
153 9XY 0.70803 -0.05160 -0.08035 -0.10388 -0.11068
154 9XZ -0.39870 -0.58737 0.13014 -0.01765 -0.11068
155 9YZ 0.30933 -0.63897 0.04979 -0.12153 0.11068
66 67 68 69 70
(T2)--V (T2)--V (T2)--V (T2)--V (T2)--V
Eigenvalues -- 1.27251 1.27251 1.27251 1.40979 1.40979
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.07556 0.00000 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.07556 0.00000 0.26349
8 6PZ 0.00000 0.07556 0.00000 0.26349 0.00000
9 7PX -4.94256 0.00000 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 -4.94256 0.00000 -8.73140
11 7PZ 0.00000 -4.94256 0.00000 -8.73140 0.00000
12 8PX 19.56953 0.00000 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 19.56953 0.00000 38.86983
14 8PZ 0.00000 19.56953 0.00000 38.86983 0.00000
15 9PX 1.04548 0.00000 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 1.04548 0.00000 2.65647
17 9PZ 0.00000 1.04548 0.00000 2.65647 0.00000
18 10XX 0.00000 0.00000 0.00000 0.00000 0.00000
19 10YY 0.00000 0.00000 0.00000 0.00000 0.00000
20 10ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 10XY 0.00000 -0.03033 0.00000 0.01968 0.00000
22 10XZ 0.00000 0.00000 -0.03033 0.00000 0.01968
23 10YZ -0.03033 0.00000 0.00000 0.00000 0.00000
24 11XX 0.00000 0.00000 0.00000 0.00000 0.00000
25 11YY 0.00000 0.00000 0.00000 0.00000 0.00000
26 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
27 11XY 0.00000 -1.40420 0.00000 -4.12186 0.00000
28 11XZ 0.00000 0.00000 -1.40420 0.00000 -4.12186
29 11YZ -1.40420 0.00000 0.00000 0.00000 0.00000
30 12XX 0.00000 0.00000 0.00000 0.00000 0.00000
31 12YY 0.00000 0.00000 0.00000 0.00000 0.00000
32 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
33 12XY 0.00000 2.01317 0.00000 5.56514 0.00000
34 12XZ 0.00000 0.00000 2.01317 0.00000 5.56514
35 12YZ 2.01317 0.00000 0.00000 0.00000 0.00000
36 13XXX -0.10561 0.00000 0.00000 0.00000 0.00000
37 13YYY 0.00000 0.00000 -0.10561 0.00000 -0.24159
38 13ZZZ 0.00000 -0.10561 0.00000 -0.24159 0.00000
39 13XYY -0.12469 0.00000 0.00000 0.00000 0.00000
40 13XXY 0.00000 0.00000 -0.12469 0.00000 -0.20609
41 13XXZ 0.00000 -0.12469 0.00000 -0.20609 0.00000
42 13XZZ -0.12469 0.00000 0.00000 0.00000 0.00000
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44 13YYZ 0.00000 -0.12469 0.00000 -0.20609 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX -3.58925 0.00000 0.00000 0.00000 0.00000
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48 14ZZZ 0.00000 -3.58925 0.00000 -7.42877 0.00000
49 14XYY -1.58669 0.00000 0.00000 0.00000 0.00000
50 14XXY 0.00000 0.00000 -1.58669 0.00000 -5.88079
51 14XXZ 0.00000 -1.58669 0.00000 -5.88079 0.00000
52 14XZZ -1.58669 0.00000 0.00000 0.00000 0.00000
53 14YZZ 0.00000 0.00000 -1.58669 0.00000 -5.88079
54 14YYZ 0.00000 -1.58669 0.00000 -5.88079 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S -0.12667 -0.12667 -0.12667 -0.00818 -0.00818
57 2S 1.10466 1.10466 1.10466 6.25355 6.25355
58 3S -5.16262 -5.16262 -5.16262 -26.14520 -26.14520
59 4S -0.51623 -0.51623 -0.51623 -1.51801 -1.51801
60 5PX 0.00546 -0.00061 -0.00061 -0.00781 -0.00781
61 5PY -0.00061 -0.00061 0.00546 -0.00781 -0.00851
62 5PZ -0.00061 0.00546 -0.00061 -0.00851 -0.00781
63 6PX -0.71257 -0.56713 -0.56713 -0.88947 -0.88947
64 6PY -0.56713 -0.56713 -0.71257 -0.88947 -1.61919
65 6PZ -0.56713 -0.71257 -0.56713 -1.61919 -0.88947
66 7PX -0.79426 0.57258 0.57258 3.19573 3.19573
67 7PY 0.57258 0.57258 -0.79426 3.19573 2.49708
68 7PZ 0.57258 -0.79426 0.57258 2.49708 3.19573
69 8XX -0.08631 -0.08463 -0.08463 0.02148 0.02148
70 8YY -0.08463 -0.08463 -0.08631 0.02148 0.07137
71 8ZZ -0.08463 -0.08631 -0.08463 0.07137 0.02148
72 8XY 0.01927 0.01118 0.01927 0.02855 0.03625
73 8XZ 0.01927 0.01927 0.01118 0.03625 0.02855
74 8YZ 0.01118 0.01927 0.01927 0.03625 0.03625
75 9XX -1.10286 -1.10690 -1.10690 0.41846 0.41846
76 9YY -1.10690 -1.10690 -1.10286 0.41846 -0.04014
77 9ZZ -1.10690 -1.10286 -1.10690 -0.04014 0.41846
78 9XY 0.50548 0.98978 0.50548 -0.58891 0.25343
79 9XZ 0.50548 0.50548 0.98978 0.25343 -0.58891
80 9YZ 0.98978 0.50548 0.50548 0.25343 0.25343
81 3 H 1S 0.12667 -0.12667 0.12667 -0.00818 0.00818
82 2S -1.10466 1.10466 -1.10466 6.25355 -6.25355
83 3S 5.16262 -5.16262 5.16262 -26.14520 26.14520
84 4S 0.51623 -0.51623 0.51623 -1.51801 1.51801
85 5PX 0.00546 0.00061 -0.00061 0.00781 -0.00781
86 5PY -0.00061 0.00061 0.00546 0.00781 -0.00851
87 5PZ 0.00061 0.00546 0.00061 -0.00851 0.00781
88 6PX -0.71257 0.56713 -0.56713 0.88947 -0.88947
89 6PY -0.56713 0.56713 -0.71257 0.88947 -1.61919
90 6PZ 0.56713 -0.71257 0.56713 -1.61919 0.88947
91 7PX -0.79426 -0.57258 0.57258 -3.19573 3.19573
92 7PY 0.57258 -0.57258 -0.79426 -3.19573 2.49708
93 7PZ -0.57258 -0.79426 -0.57258 2.49708 -3.19573
94 8XX 0.08631 -0.08463 0.08463 0.02148 -0.02148
95 8YY 0.08463 -0.08463 0.08631 0.02148 -0.07137
96 8ZZ 0.08463 -0.08631 0.08463 0.07137 -0.02148
97 8XY -0.01927 0.01118 -0.01927 0.02855 -0.03625
98 8XZ 0.01927 -0.01927 0.01118 -0.03625 0.02855
99 8YZ 0.01118 -0.01927 0.01927 -0.03625 0.03625
100 9XX 1.10286 -1.10690 1.10690 0.41846 -0.41846
101 9YY 1.10690 -1.10690 1.10286 0.41846 0.04014
102 9ZZ 1.10690 -1.10286 1.10690 -0.04014 -0.41846
103 9XY -0.50548 0.98978 -0.50548 -0.58891 -0.25343
104 9XZ 0.50548 -0.50548 0.98978 -0.25343 -0.58891
105 9YZ 0.98978 -0.50548 0.50548 -0.25343 0.25343
106 4 H 1S 0.12667 0.12667 -0.12667 0.00818 -0.00818
107 2S -1.10466 -1.10466 1.10466 -6.25355 6.25355
108 3S 5.16262 5.16262 -5.16262 26.14520 -26.14520
109 4S 0.51623 0.51623 -0.51623 1.51801 -1.51801
110 5PX 0.00546 -0.00061 0.00061 -0.00781 0.00781
111 5PY 0.00061 0.00061 0.00546 0.00781 -0.00851
112 5PZ -0.00061 0.00546 0.00061 -0.00851 0.00781
113 6PX -0.71257 -0.56713 0.56713 -0.88947 0.88947
114 6PY 0.56713 0.56713 -0.71257 0.88947 -1.61919
115 6PZ -0.56713 -0.71257 0.56713 -1.61919 0.88947
116 7PX -0.79426 0.57258 -0.57258 3.19573 -3.19573
117 7PY -0.57258 -0.57258 -0.79426 -3.19573 2.49708
118 7PZ 0.57258 -0.79426 -0.57258 2.49708 -3.19573
119 8XX 0.08631 0.08463 -0.08463 -0.02148 0.02148
120 8YY 0.08463 0.08463 -0.08631 -0.02148 0.07137
121 8ZZ 0.08463 0.08631 -0.08463 -0.07137 0.02148
122 8XY 0.01927 0.01118 -0.01927 0.02855 -0.03625
123 8XZ -0.01927 -0.01927 0.01118 -0.03625 0.02855
124 8YZ 0.01118 0.01927 -0.01927 0.03625 -0.03625
125 9XX 1.10286 1.10690 -1.10690 -0.41846 0.41846
126 9YY 1.10690 1.10690 -1.10286 -0.41846 -0.04014
127 9ZZ 1.10690 1.10286 -1.10690 0.04014 0.41846
128 9XY 0.50548 0.98978 -0.50548 -0.58891 -0.25343
129 9XZ -0.50548 -0.50548 0.98978 -0.25343 -0.58891
130 9YZ 0.98978 0.50548 -0.50548 0.25343 -0.25343
131 5 H 1S -0.12667 0.12667 0.12667 0.00818 0.00818
132 2S 1.10466 -1.10466 -1.10466 -6.25355 -6.25355
133 3S -5.16262 5.16262 5.16262 26.14520 26.14520
134 4S -0.51623 0.51623 0.51623 1.51801 1.51801
135 5PX 0.00546 0.00061 0.00061 0.00781 0.00781
136 5PY 0.00061 -0.00061 0.00546 -0.00781 -0.00851
137 5PZ 0.00061 0.00546 -0.00061 -0.00851 -0.00781
138 6PX -0.71257 0.56713 0.56713 0.88947 0.88947
139 6PY 0.56713 -0.56713 -0.71257 -0.88947 -1.61919
140 6PZ 0.56713 -0.71257 -0.56713 -1.61919 -0.88947
141 7PX -0.79426 -0.57258 -0.57258 -3.19573 -3.19573
142 7PY -0.57258 0.57258 -0.79426 3.19573 2.49708
143 7PZ -0.57258 -0.79426 0.57258 2.49708 3.19573
144 8XX -0.08631 0.08463 0.08463 -0.02148 -0.02148
145 8YY -0.08463 0.08463 0.08631 -0.02148 -0.07137
146 8ZZ -0.08463 0.08631 0.08463 -0.07137 -0.02148
147 8XY -0.01927 0.01118 0.01927 0.02855 0.03625
148 8XZ -0.01927 0.01927 0.01118 0.03625 0.02855
149 8YZ 0.01118 -0.01927 -0.01927 -0.03625 -0.03625
150 9XX -1.10286 1.10690 1.10690 -0.41846 -0.41846
151 9YY -1.10690 1.10690 1.10286 -0.41846 0.04014
152 9ZZ -1.10690 1.10286 1.10690 0.04014 -0.41846
153 9XY -0.50548 0.98978 0.50548 -0.58891 0.25343
154 9XZ -0.50548 0.50548 0.98978 0.25343 -0.58891
155 9YZ 0.98978 -0.50548 -0.50548 -0.25343 -0.25343
71 72 73 74 75
(T2)--V (A1)--V (T1)--V (T1)--V (T1)--V
Eigenvalues -- 1.40979 1.46170 1.61911 1.61911 1.61911
1 1 C 1S 0.00000 0.02583 0.00000 0.00000 0.00000
2 2S 0.00000 0.26746 0.00000 0.00000 0.00000
3 3S 0.00000 0.38709 0.00000 0.00000 0.00000
4 4S 0.00000 107.55701 0.00000 0.00000 0.00000
5 5S 0.00000 -10.46498 0.00000 0.00000 0.00000
6 6PX 0.26349 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 -8.73140 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 38.86983 0.00000 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
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26 11ZZ 0.00000 -0.04391 0.00000 0.00000 0.00000
27 11XY 0.00000 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000
29 11YZ -4.12186 0.00000 0.00000 0.00000 0.00000
30 12XX 0.00000 24.23726 0.00000 0.00000 0.00000
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32 12ZZ 0.00000 24.23726 0.00000 0.00000 0.00000
33 12XY 0.00000 0.00000 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000
35 12YZ 5.56514 0.00000 0.00000 0.00000 0.00000
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42 13XZZ -0.20609 0.00000 0.08297 0.00000 0.00000
43 13YZZ 0.00000 0.00000 0.00000 0.00000 0.08297
44 13YYZ 0.00000 0.00000 0.00000 0.08297 0.00000
45 13XYZ 0.00000 -0.24822 0.00000 0.00000 0.00000
46 14XXX -7.42877 0.00000 0.00000 0.00000 0.00000
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50 14XXY 0.00000 0.00000 0.00000 0.00000 1.65687
51 14XXZ 0.00000 0.00000 0.00000 1.65687 0.00000
52 14XZZ -5.88079 0.00000 -1.65687 0.00000 0.00000
53 14YZZ 0.00000 0.00000 0.00000 0.00000 -1.65687
54 14YYZ 0.00000 0.00000 0.00000 -1.65687 0.00000
55 14XYZ 0.00000 0.76475 0.00000 0.00000 0.00000
56 2 H 1S -0.00818 0.03896 0.00000 0.00000 0.00000
57 2S 6.25355 6.91703 0.00000 0.00000 0.00000
58 3S -26.14520 -48.77687 0.00000 0.00000 0.00000
59 4S -1.51801 0.41010 0.00000 0.00000 0.00000
60 5PX -0.00851 -0.01263 0.00000 -0.00163 -0.00163
61 5PY -0.00781 -0.01263 -0.00163 0.00163 0.00000
62 5PZ -0.00781 -0.01263 0.00163 0.00000 0.00163
63 6PX -1.61919 -0.47708 0.00000 -0.08839 -0.08839
64 6PY -0.88947 -0.47708 -0.08839 0.08839 0.00000
65 6PZ -0.88947 -0.47708 0.08839 0.00000 0.08839
66 7PX 2.49708 5.48195 0.00000 0.70444 0.70444
67 7PY 3.19573 5.48195 0.70444 -0.70444 0.00000
68 7PZ 3.19573 5.48195 -0.70444 0.00000 -0.70444
69 8XX 0.07137 0.07421 0.00000 0.01691 0.01691
70 8YY 0.02148 0.07421 0.01691 -0.01691 0.00000
71 8ZZ 0.02148 0.07421 -0.01691 0.00000 -0.01691
72 8XY 0.03625 0.05541 0.01915 0.00000 0.01915
73 8XZ 0.03625 0.05541 -0.01915 0.01915 0.00000
74 8YZ 0.02855 0.05541 0.00000 -0.01915 -0.01915
75 9XX -0.04014 3.05943 0.00000 -0.28479 -0.28479
76 9YY 0.41846 3.05943 -0.28479 0.28479 0.00000
77 9ZZ 0.41846 3.05943 0.28479 0.00000 0.28479
78 9XY 0.25343 -0.65630 -0.81247 0.00000 -0.81247
79 9XZ 0.25343 -0.65630 0.81247 -0.81247 0.00000
80 9YZ -0.58891 -0.65630 0.00000 0.81247 0.81247
81 3 H 1S 0.00818 0.03896 0.00000 0.00000 0.00000
82 2S -6.25355 6.91703 0.00000 0.00000 0.00000
83 3S 26.14520 -48.77687 0.00000 0.00000 0.00000
84 4S 1.51801 0.41010 0.00000 0.00000 0.00000
85 5PX -0.00851 0.01263 0.00000 0.00163 -0.00163
86 5PY -0.00781 0.01263 -0.00163 -0.00163 0.00000
87 5PZ 0.00781 -0.01263 -0.00163 0.00000 -0.00163
88 6PX -1.61919 0.47708 0.00000 0.08839 -0.08839
89 6PY -0.88947 0.47708 -0.08839 -0.08839 0.00000
90 6PZ 0.88947 -0.47708 -0.08839 0.00000 -0.08839
91 7PX 2.49708 -5.48195 0.00000 -0.70444 0.70444
92 7PY 3.19573 -5.48195 0.70444 0.70444 0.00000
93 7PZ -3.19573 5.48195 0.70444 0.00000 0.70444
94 8XX -0.07137 0.07421 0.00000 0.01691 -0.01691
95 8YY -0.02148 0.07421 -0.01691 -0.01691 0.00000
96 8ZZ -0.02148 0.07421 0.01691 0.00000 0.01691
97 8XY -0.03625 0.05541 -0.01915 0.00000 -0.01915
98 8XZ 0.03625 -0.05541 -0.01915 -0.01915 0.00000
99 8YZ 0.02855 -0.05541 0.00000 0.01915 -0.01915
100 9XX 0.04014 3.05943 0.00000 -0.28479 0.28479
101 9YY -0.41846 3.05943 0.28479 0.28479 0.00000
102 9ZZ -0.41846 3.05943 -0.28479 0.00000 -0.28479
103 9XY -0.25343 -0.65630 0.81247 0.00000 0.81247
104 9XZ 0.25343 0.65630 0.81247 0.81247 0.00000
105 9YZ -0.58891 0.65630 0.00000 -0.81247 0.81247
106 4 H 1S 0.00818 0.03896 0.00000 0.00000 0.00000
107 2S -6.25355 6.91703 0.00000 0.00000 0.00000
108 3S 26.14520 -48.77687 0.00000 0.00000 0.00000
109 4S 1.51801 0.41010 0.00000 0.00000 0.00000
110 5PX -0.00851 0.01263 0.00000 -0.00163 0.00163
111 5PY 0.00781 -0.01263 0.00163 -0.00163 0.00000
112 5PZ -0.00781 0.01263 0.00163 0.00000 -0.00163
113 6PX -1.61919 0.47708 0.00000 -0.08839 0.08839
114 6PY 0.88947 -0.47708 0.08839 -0.08839 0.00000
115 6PZ -0.88947 0.47708 0.08839 0.00000 -0.08839
116 7PX 2.49708 -5.48195 0.00000 0.70444 -0.70444
117 7PY -3.19573 5.48195 -0.70444 0.70444 0.00000
118 7PZ 3.19573 -5.48195 -0.70444 0.00000 0.70444
119 8XX -0.07137 0.07421 0.00000 -0.01691 0.01691
120 8YY -0.02148 0.07421 -0.01691 0.01691 0.00000
121 8ZZ -0.02148 0.07421 0.01691 0.00000 -0.01691
122 8XY 0.03625 -0.05541 0.01915 0.00000 -0.01915
123 8XZ -0.03625 0.05541 0.01915 -0.01915 0.00000
124 8YZ 0.02855 -0.05541 0.00000 -0.01915 0.01915
125 9XX 0.04014 3.05943 0.00000 0.28479 -0.28479
126 9YY -0.41846 3.05943 0.28479 -0.28479 0.00000
127 9ZZ -0.41846 3.05943 -0.28479 0.00000 0.28479
128 9XY 0.25343 0.65630 -0.81247 0.00000 0.81247
129 9XZ -0.25343 -0.65630 -0.81247 0.81247 0.00000
130 9YZ -0.58891 0.65630 0.00000 0.81247 -0.81247
131 5 H 1S -0.00818 0.03896 0.00000 0.00000 0.00000
132 2S 6.25355 6.91703 0.00000 0.00000 0.00000
133 3S -26.14520 -48.77687 0.00000 0.00000 0.00000
134 4S -1.51801 0.41010 0.00000 0.00000 0.00000
135 5PX -0.00851 -0.01263 0.00000 0.00163 0.00163
136 5PY 0.00781 0.01263 0.00163 0.00163 0.00000
137 5PZ 0.00781 0.01263 -0.00163 0.00000 0.00163
138 6PX -1.61919 -0.47708 0.00000 0.08839 0.08839
139 6PY 0.88947 0.47708 0.08839 0.08839 0.00000
140 6PZ 0.88947 0.47708 -0.08839 0.00000 0.08839
141 7PX 2.49708 5.48195 0.00000 -0.70444 -0.70444
142 7PY -3.19573 -5.48195 -0.70444 -0.70444 0.00000
143 7PZ -3.19573 -5.48195 0.70444 0.00000 -0.70444
144 8XX 0.07137 0.07421 0.00000 -0.01691 -0.01691
145 8YY 0.02148 0.07421 0.01691 0.01691 0.00000
146 8ZZ 0.02148 0.07421 -0.01691 0.00000 0.01691
147 8XY -0.03625 -0.05541 -0.01915 0.00000 0.01915
148 8XZ -0.03625 -0.05541 0.01915 0.01915 0.00000
149 8YZ 0.02855 0.05541 0.00000 0.01915 0.01915
150 9XX -0.04014 3.05943 0.00000 0.28479 0.28479
151 9YY 0.41846 3.05943 -0.28479 -0.28479 0.00000
152 9ZZ 0.41846 3.05943 0.28479 0.00000 -0.28479
153 9XY -0.25343 0.65630 0.81247 0.00000 -0.81247
154 9XZ -0.25343 0.65630 -0.81247 -0.81247 0.00000
155 9YZ -0.58891 -0.65630 0.00000 -0.81247 -0.81247
76 77 78 79 80
(T2)--V (T2)--V (T2)--V (A1)--V (T2)--V
Eigenvalues -- 1.74572 1.74572 1.74572 1.78596 1.88849
1 1 C 1S 0.00000 0.00000 0.00000 -0.12897 0.00000
2 2S 0.00000 0.00000 0.00000 0.65830 0.00000
3 3S 0.00000 0.00000 0.00000 -2.46277 0.00000
4 4S 0.00000 0.00000 0.00000 97.76687 0.00000
5 5S 0.00000 0.00000 0.00000 5.10541 0.00000
6 6PX 0.00000 -0.05870 0.00000 0.00000 0.00000
7 6PY -0.05870 0.00000 0.00000 0.00000 0.05427
8 6PZ 0.00000 0.00000 -0.05870 0.00000 0.00000
9 7PX 0.00000 -4.00197 0.00000 0.00000 0.00000
10 7PY -4.00197 0.00000 0.00000 0.00000 -5.10294
11 7PZ 0.00000 0.00000 -4.00197 0.00000 0.00000
12 8PX 0.00000 4.12851 0.00000 0.00000 0.00000
13 8PY 4.12851 0.00000 0.00000 0.00000 20.73119
14 8PZ 0.00000 0.00000 4.12851 0.00000 0.00000
15 9PX 0.00000 -0.11272 0.00000 0.00000 0.00000
16 9PY -0.11272 0.00000 0.00000 0.00000 0.33926
17 9PZ 0.00000 0.00000 -0.11272 0.00000 0.00000
18 10XX 0.00000 0.00000 0.00000 -0.31997 0.00000
19 10YY 0.00000 0.00000 0.00000 -0.31997 0.00000
20 10ZZ 0.00000 0.00000 0.00000 -0.31997 0.00000
21 10XY 0.00000 0.00000 0.01155 0.00000 0.00000
22 10XZ 0.01155 0.00000 0.00000 0.00000 0.02029
23 10YZ 0.00000 0.01155 0.00000 0.00000 0.00000
24 11XX 0.00000 0.00000 0.00000 -1.82143 0.00000
25 11YY 0.00000 0.00000 0.00000 -1.82143 0.00000
26 11ZZ 0.00000 0.00000 0.00000 -1.82143 0.00000
27 11XY 0.00000 0.00000 -0.73488 0.00000 0.00000
28 11XZ -0.73488 0.00000 0.00000 0.00000 -2.74631
29 11YZ 0.00000 -0.73488 0.00000 0.00000 0.00000
30 12XX 0.00000 0.00000 0.00000 0.91668 0.00000
31 12YY 0.00000 0.00000 0.00000 0.91668 0.00000
32 12ZZ 0.00000 0.00000 0.00000 0.91668 0.00000
33 12XY 0.00000 0.00000 3.08156 0.00000 0.00000
34 12XZ 3.08156 0.00000 0.00000 0.00000 2.45979
35 12YZ 0.00000 3.08156 0.00000 0.00000 0.00000
36 13XXX 0.00000 -0.13342 0.00000 0.00000 0.00000
37 13YYY -0.13342 0.00000 0.00000 0.00000 -0.16856
38 13ZZZ 0.00000 0.00000 -0.13342 0.00000 0.00000
39 13XYY 0.00000 0.08001 0.00000 0.00000 0.00000
40 13XXY 0.08001 0.00000 0.00000 0.00000 -0.06659
41 13XXZ 0.00000 0.00000 0.08001 0.00000 0.00000
42 13XZZ 0.00000 0.08001 0.00000 0.00000 0.00000
43 13YZZ 0.08001 0.00000 0.00000 0.00000 -0.06659
44 13YYZ 0.00000 0.00000 0.08001 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.32088 0.00000
46 14XXX 0.00000 1.63042 0.00000 0.00000 0.00000
47 14YYY 1.63042 0.00000 0.00000 0.00000 -5.93621
48 14ZZZ 0.00000 0.00000 1.63042 0.00000 0.00000
49 14XYY 0.00000 -3.24575 0.00000 0.00000 0.00000
50 14XXY -3.24575 0.00000 0.00000 0.00000 -4.37694
51 14XXZ 0.00000 0.00000 -3.24575 0.00000 0.00000
52 14XZZ 0.00000 -3.24575 0.00000 0.00000 0.00000
53 14YZZ -3.24575 0.00000 0.00000 0.00000 -4.37694
54 14YYZ 0.00000 0.00000 -3.24575 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 5.04539 0.00000
56 2 H 1S -0.00035 -0.00035 -0.00035 0.08395 -0.14938
57 2S 2.24800 2.24800 2.24800 -14.82983 4.14867
58 3S -1.98411 -1.98411 -1.98411 -13.83158 -14.19734
59 4S 0.13742 0.13742 0.13742 -0.35221 -0.45088
60 5PX 0.00423 0.00410 0.00423 0.01793 -0.01260
61 5PY 0.00410 0.00423 0.00423 0.01793 -0.04713
62 5PZ 0.00423 0.00423 0.00410 0.01793 -0.01260
63 6PX -0.34751 -0.66600 -0.34751 1.86194 -0.04100
64 6PY -0.66600 -0.34751 -0.34751 1.86194 0.58555
65 6PZ -0.34751 -0.34751 -0.66600 1.86194 -0.04100
66 7PX -0.58665 0.51720 -0.58665 2.13589 2.15677
67 7PY 0.51720 -0.58665 -0.58665 2.13589 2.54314
68 7PZ -0.58665 -0.58665 0.51720 2.13589 2.15677
69 8XX 0.00014 0.02821 0.00014 0.02139 -0.08382
70 8YY 0.02821 0.00014 0.00014 0.02139 -0.05390
71 8ZZ 0.00014 0.00014 0.02821 0.02139 -0.08382
72 8XY 0.00541 0.00541 -0.00539 -0.08479 0.01148
73 8XZ -0.00539 0.00541 0.00541 -0.08479 -0.02153
74 8YZ 0.00541 -0.00539 0.00541 -0.08479 0.01148
75 9XX 0.17611 -1.60046 0.17611 -1.18819 -0.27357
76 9YY -1.60046 0.17611 0.17611 -1.18819 -1.17379
77 9ZZ 0.17611 0.17611 -1.60046 -1.18819 -0.27357
78 9XY 0.57372 0.57372 -0.27289 0.44110 -0.49935
79 9XZ -0.27289 0.57372 0.57372 0.44110 -0.35238
80 9YZ 0.57372 -0.27289 0.57372 0.44110 -0.49935
81 3 H 1S 0.00035 0.00035 -0.00035 0.08395 0.14938
82 2S -2.24800 -2.24800 2.24800 -14.82983 -4.14867
83 3S 1.98411 1.98411 -1.98411 -13.83158 14.19734
84 4S -0.13742 -0.13742 0.13742 -0.35221 0.45088
85 5PX 0.00423 0.00410 -0.00423 -0.01793 -0.01260
86 5PY 0.00410 0.00423 -0.00423 -0.01793 -0.04713
87 5PZ -0.00423 -0.00423 0.00410 0.01793 0.01260
88 6PX -0.34751 -0.66600 0.34751 -1.86194 -0.04100
89 6PY -0.66600 -0.34751 0.34751 -1.86194 0.58555
90 6PZ 0.34751 0.34751 -0.66600 1.86194 0.04100
91 7PX -0.58665 0.51720 0.58665 -2.13589 2.15677
92 7PY 0.51720 -0.58665 0.58665 -2.13589 2.54314
93 7PZ 0.58665 0.58665 0.51720 2.13589 -2.15677
94 8XX -0.00014 -0.02821 0.00014 0.02139 0.08382
95 8YY -0.02821 -0.00014 0.00014 0.02139 0.05390
96 8ZZ -0.00014 -0.00014 0.02821 0.02139 0.08382
97 8XY -0.00541 -0.00541 -0.00539 -0.08479 -0.01148
98 8XZ -0.00539 0.00541 -0.00541 0.08479 -0.02153
99 8YZ 0.00541 -0.00539 -0.00541 0.08479 0.01148
100 9XX -0.17611 1.60046 0.17611 -1.18819 0.27357
101 9YY 1.60046 -0.17611 0.17611 -1.18819 1.17379
102 9ZZ -0.17611 -0.17611 -1.60046 -1.18819 0.27357
103 9XY -0.57372 -0.57372 -0.27289 0.44110 0.49935
104 9XZ -0.27289 0.57372 -0.57372 -0.44110 -0.35238
105 9YZ 0.57372 -0.27289 -0.57372 -0.44110 -0.49935
106 4 H 1S -0.00035 0.00035 0.00035 0.08395 -0.14938
107 2S 2.24800 -2.24800 -2.24800 -14.82983 4.14867
108 3S -1.98411 1.98411 1.98411 -13.83158 -14.19734
109 4S 0.13742 -0.13742 -0.13742 -0.35221 -0.45088
110 5PX -0.00423 0.00410 0.00423 -0.01793 0.01260
111 5PY 0.00410 -0.00423 -0.00423 0.01793 -0.04713
112 5PZ -0.00423 0.00423 0.00410 -0.01793 0.01260
113 6PX 0.34751 -0.66600 -0.34751 -1.86194 0.04100
114 6PY -0.66600 0.34751 0.34751 1.86194 0.58555
115 6PZ 0.34751 -0.34751 -0.66600 -1.86194 0.04100
116 7PX 0.58665 0.51720 -0.58665 -2.13589 -2.15677
117 7PY 0.51720 0.58665 0.58665 2.13589 2.54314
118 7PZ 0.58665 -0.58665 0.51720 -2.13589 -2.15677
119 8XX 0.00014 -0.02821 -0.00014 0.02139 -0.08382
120 8YY 0.02821 -0.00014 -0.00014 0.02139 -0.05390
121 8ZZ 0.00014 -0.00014 -0.02821 0.02139 -0.08382
122 8XY -0.00541 0.00541 -0.00539 0.08479 -0.01148
123 8XZ -0.00539 -0.00541 -0.00541 -0.08479 -0.02153
124 8YZ -0.00541 -0.00539 0.00541 0.08479 -0.01148
125 9XX 0.17611 1.60046 -0.17611 -1.18819 -0.27357
126 9YY -1.60046 -0.17611 -0.17611 -1.18819 -1.17379
127 9ZZ 0.17611 -0.17611 1.60046 -1.18819 -0.27357
128 9XY -0.57372 0.57372 -0.27289 -0.44110 0.49935
129 9XZ -0.27289 -0.57372 -0.57372 0.44110 -0.35238
130 9YZ -0.57372 -0.27289 0.57372 -0.44110 0.49935
131 5 H 1S 0.00035 -0.00035 0.00035 0.08395 0.14938
132 2S -2.24800 2.24800 -2.24800 -14.82983 -4.14867
133 3S 1.98411 -1.98411 1.98411 -13.83158 14.19734
134 4S -0.13742 0.13742 -0.13742 -0.35221 0.45088
135 5PX -0.00423 0.00410 -0.00423 0.01793 0.01260
136 5PY 0.00410 -0.00423 0.00423 -0.01793 -0.04713
137 5PZ 0.00423 -0.00423 0.00410 -0.01793 -0.01260
138 6PX 0.34751 -0.66600 0.34751 1.86194 0.04100
139 6PY -0.66600 0.34751 -0.34751 -1.86194 0.58555
140 6PZ -0.34751 0.34751 -0.66600 -1.86194 -0.04100
141 7PX 0.58665 0.51720 0.58665 2.13589 -2.15677
142 7PY 0.51720 0.58665 -0.58665 -2.13589 2.54314
143 7PZ -0.58665 0.58665 0.51720 -2.13589 2.15677
144 8XX -0.00014 0.02821 -0.00014 0.02139 0.08382
145 8YY -0.02821 0.00014 -0.00014 0.02139 0.05390
146 8ZZ -0.00014 0.00014 -0.02821 0.02139 0.08382
147 8XY 0.00541 -0.00541 -0.00539 0.08479 0.01148
148 8XZ -0.00539 -0.00541 0.00541 0.08479 -0.02153
149 8YZ -0.00541 -0.00539 -0.00541 -0.08479 -0.01148
150 9XX -0.17611 -1.60046 -0.17611 -1.18819 0.27357
151 9YY 1.60046 0.17611 -0.17611 -1.18819 1.17379
152 9ZZ -0.17611 0.17611 1.60046 -1.18819 0.27357
153 9XY 0.57372 -0.57372 -0.27289 -0.44110 -0.49935
154 9XZ -0.27289 -0.57372 0.57372 -0.44110 -0.35238
155 9YZ -0.57372 -0.27289 -0.57372 0.44110 0.49935
81 82 83 84 85
(T2)--V (T2)--V (T1)--V (T1)--V (T1)--V
Eigenvalues -- 1.88849 1.88849 1.92795 1.92795 1.92795
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.05427 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
8 6PZ 0.05427 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 -5.10294 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
11 7PZ -5.10294 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 20.73119 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
14 8PZ 20.73119 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 0.33926 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
17 9PZ 0.33926 0.00000 0.00000 0.00000 0.00000
18 10XX 0.00000 0.00000 0.00000 0.00000 0.00000
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20 10ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
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33 12XY 2.45979 0.00000 0.00000 0.00000 0.00000
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38 13ZZZ -0.16856 0.00000 0.00000 0.00000 0.00000
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40 13XXY 0.00000 0.00000 0.00000 -0.03910 0.00000
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42 13XZZ 0.00000 -0.06659 0.03910 0.00000 0.00000
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44 13YYZ -0.06659 0.00000 0.00000 0.00000 0.03910
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 -5.93621 0.00000 0.00000 0.00000
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48 14ZZZ -5.93621 0.00000 0.00000 0.00000 0.00000
49 14XYY 0.00000 -4.37694 3.31557 0.00000 0.00000
50 14XXY 0.00000 0.00000 0.00000 3.31557 0.00000
51 14XXZ -4.37694 0.00000 0.00000 0.00000 3.31557
52 14XZZ 0.00000 -4.37694 -3.31557 0.00000 0.00000
53 14YZZ 0.00000 0.00000 0.00000 -3.31557 0.00000
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55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S -0.14938 -0.14938 0.00000 0.00000 0.00000
57 2S 4.14867 4.14867 0.00000 0.00000 0.00000
58 3S -14.19734 -14.19734 0.00000 0.00000 0.00000
59 4S -0.45088 -0.45088 0.00000 0.00000 0.00000
60 5PX -0.01260 -0.04713 0.00000 0.05146 0.05146
61 5PY -0.01260 -0.01260 0.05146 0.00000 -0.05146
62 5PZ -0.04713 -0.01260 -0.05146 -0.05146 0.00000
63 6PX -0.04100 0.58555 0.00000 -1.91759 -1.91759
64 6PY -0.04100 -0.04100 -1.91759 0.00000 1.91759
65 6PZ 0.58555 -0.04100 1.91759 1.91759 0.00000
66 7PX 2.15677 2.54314 0.00000 -0.62263 -0.62263
67 7PY 2.15677 2.15677 -0.62263 0.00000 0.62263
68 7PZ 2.54314 2.15677 0.62263 0.62263 0.00000
69 8XX -0.08382 -0.05390 0.00000 0.02543 0.02543
70 8YY -0.08382 -0.08382 0.02543 0.00000 -0.02543
71 8ZZ -0.05390 -0.08382 -0.02543 -0.02543 0.00000
72 8XY -0.02153 0.01148 0.00227 0.00227 0.00000
73 8XZ 0.01148 0.01148 -0.00227 0.00000 0.00227
74 8YZ 0.01148 -0.02153 0.00000 -0.00227 -0.00227
75 9XX -0.27357 -1.17379 0.00000 0.85163 0.85163
76 9YY -0.27357 -0.27357 0.85163 0.00000 -0.85163
77 9ZZ -1.17379 -0.27357 -0.85163 -0.85163 0.00000
78 9XY -0.35238 -0.49935 -0.01774 -0.01774 0.00000
79 9XZ -0.49935 -0.49935 0.01774 0.00000 -0.01774
80 9YZ -0.49935 -0.35238 0.00000 0.01774 0.01774
81 3 H 1S -0.14938 0.14938 0.00000 0.00000 0.00000
82 2S 4.14867 -4.14867 0.00000 0.00000 0.00000
83 3S -14.19734 14.19734 0.00000 0.00000 0.00000
84 4S -0.45088 0.45088 0.00000 0.00000 0.00000
85 5PX 0.01260 -0.04713 0.00000 0.05146 -0.05146
86 5PY 0.01260 -0.01260 0.05146 0.00000 0.05146
87 5PZ -0.04713 0.01260 0.05146 0.05146 0.00000
88 6PX 0.04100 0.58555 0.00000 -1.91759 1.91759
89 6PY 0.04100 -0.04100 -1.91759 0.00000 -1.91759
90 6PZ 0.58555 0.04100 -1.91759 -1.91759 0.00000
91 7PX -2.15677 2.54314 0.00000 -0.62263 0.62263
92 7PY -2.15677 2.15677 -0.62263 0.00000 -0.62263
93 7PZ 2.54314 -2.15677 -0.62263 -0.62263 0.00000
94 8XX -0.08382 0.05390 0.00000 -0.02543 0.02543
95 8YY -0.08382 0.08382 -0.02543 0.00000 -0.02543
96 8ZZ -0.05390 0.08382 0.02543 0.02543 0.00000
97 8XY -0.02153 -0.01148 -0.00227 -0.00227 0.00000
98 8XZ -0.01148 0.01148 -0.00227 0.00000 -0.00227
99 8YZ -0.01148 -0.02153 0.00000 -0.00227 0.00227
100 9XX -0.27357 1.17379 0.00000 -0.85163 0.85163
101 9YY -0.27357 0.27357 -0.85163 0.00000 -0.85163
102 9ZZ -1.17379 0.27357 0.85163 0.85163 0.00000
103 9XY -0.35238 0.49935 0.01774 0.01774 0.00000
104 9XZ 0.49935 -0.49935 0.01774 0.00000 0.01774
105 9YZ 0.49935 -0.35238 0.00000 0.01774 -0.01774
106 4 H 1S 0.14938 0.14938 0.00000 0.00000 0.00000
107 2S -4.14867 -4.14867 0.00000 0.00000 0.00000
108 3S 14.19734 14.19734 0.00000 0.00000 0.00000
109 4S 0.45088 0.45088 0.00000 0.00000 0.00000
110 5PX -0.01260 -0.04713 0.00000 -0.05146 0.05146
111 5PY 0.01260 0.01260 -0.05146 0.00000 0.05146
112 5PZ -0.04713 -0.01260 -0.05146 0.05146 0.00000
113 6PX -0.04100 0.58555 0.00000 1.91759 -1.91759
114 6PY 0.04100 0.04100 1.91759 0.00000 -1.91759
115 6PZ 0.58555 -0.04100 1.91759 -1.91759 0.00000
116 7PX 2.15677 2.54314 0.00000 0.62263 -0.62263
117 7PY -2.15677 -2.15677 0.62263 0.00000 -0.62263
118 7PZ 2.54314 2.15677 0.62263 -0.62263 0.00000
119 8XX 0.08382 0.05390 0.00000 0.02543 -0.02543
120 8YY 0.08382 0.08382 -0.02543 0.00000 0.02543
121 8ZZ 0.05390 0.08382 0.02543 -0.02543 0.00000
122 8XY -0.02153 0.01148 0.00227 -0.00227 0.00000
123 8XZ -0.01148 -0.01148 0.00227 0.00000 -0.00227
124 8YZ 0.01148 -0.02153 0.00000 0.00227 -0.00227
125 9XX 0.27357 1.17379 0.00000 0.85163 -0.85163
126 9YY 0.27357 0.27357 -0.85163 0.00000 0.85163
127 9ZZ 1.17379 0.27357 0.85163 -0.85163 0.00000
128 9XY -0.35238 -0.49935 -0.01774 0.01774 0.00000
129 9XZ 0.49935 0.49935 -0.01774 0.00000 0.01774
130 9YZ -0.49935 -0.35238 0.00000 -0.01774 0.01774
131 5 H 1S 0.14938 -0.14938 0.00000 0.00000 0.00000
132 2S -4.14867 4.14867 0.00000 0.00000 0.00000
133 3S 14.19734 -14.19734 0.00000 0.00000 0.00000
134 4S 0.45088 -0.45088 0.00000 0.00000 0.00000
135 5PX 0.01260 -0.04713 0.00000 -0.05146 -0.05146
136 5PY -0.01260 0.01260 -0.05146 0.00000 -0.05146
137 5PZ -0.04713 0.01260 0.05146 -0.05146 0.00000
138 6PX 0.04100 0.58555 0.00000 1.91759 1.91759
139 6PY -0.04100 0.04100 1.91759 0.00000 1.91759
140 6PZ 0.58555 0.04100 -1.91759 1.91759 0.00000
141 7PX -2.15677 2.54314 0.00000 0.62263 0.62263
142 7PY 2.15677 -2.15677 0.62263 0.00000 0.62263
143 7PZ 2.54314 -2.15677 -0.62263 0.62263 0.00000
144 8XX 0.08382 -0.05390 0.00000 -0.02543 -0.02543
145 8YY 0.08382 -0.08382 0.02543 0.00000 0.02543
146 8ZZ 0.05390 -0.08382 -0.02543 0.02543 0.00000
147 8XY -0.02153 -0.01148 -0.00227 0.00227 0.00000
148 8XZ 0.01148 -0.01148 0.00227 0.00000 0.00227
149 8YZ -0.01148 -0.02153 0.00000 0.00227 0.00227
150 9XX 0.27357 -1.17379 0.00000 -0.85163 -0.85163
151 9YY 0.27357 -0.27357 0.85163 0.00000 0.85163
152 9ZZ 1.17379 -0.27357 -0.85163 0.85163 0.00000
153 9XY -0.35238 0.49935 0.01774 -0.01774 0.00000
154 9XZ -0.49935 0.49935 -0.01774 0.00000 -0.01774
155 9YZ 0.49935 -0.35238 0.00000 -0.01774 -0.01774
86 87 88 89 90
(A1)--V (T2)--V (T2)--V (T2)--V (E)--V
Eigenvalues -- 2.04571 2.18543 2.18543 2.18543 2.24047
1 1 C 1S -0.06874 0.00000 0.00000 0.00000 0.00000
2 2S 1.12747 0.00000 0.00000 0.00000 0.00000
3 3S -2.67251 0.00000 0.00000 0.00000 0.00000
4 4S 11.86677 0.00000 0.00000 0.00000 0.00000
5 5S -3.62754 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.11213 0.00000 0.00000
7 6PY 0.00000 0.11213 0.00000 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.11213 0.00000
9 7PX 0.00000 0.00000 6.12395 0.00000 0.00000
10 7PY 0.00000 6.12395 0.00000 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 6.12395 0.00000
12 8PX 0.00000 0.00000 -12.29096 0.00000 0.00000
13 8PY 0.00000 -12.29096 0.00000 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 -12.29096 0.00000
15 9PX 0.00000 0.00000 0.06096 0.00000 0.00000
16 9PY 0.00000 0.06096 0.00000 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 0.06096 0.00000
18 10XX -0.50235 0.00000 0.00000 0.00000 -0.00013
19 10YY -0.50235 0.00000 0.00000 0.00000 0.00385
20 10ZZ -0.50235 0.00000 0.00000 0.00000 -0.00372
21 10XY 0.00000 0.00000 0.00000 0.05218 0.00000
22 10XZ 0.00000 0.05218 0.00000 0.00000 0.00000
23 10YZ 0.00000 0.00000 0.05218 0.00000 0.00000
24 11XX -7.98976 0.00000 0.00000 0.00000 -0.16622
25 11YY -7.98976 0.00000 0.00000 0.00000 4.80173
26 11ZZ -7.98976 0.00000 0.00000 0.00000 -4.63551
27 11XY 0.00000 0.00000 0.00000 -2.29917 0.00000
28 11XZ 0.00000 -2.29917 0.00000 0.00000 0.00000
29 11YZ 0.00000 0.00000 -2.29917 0.00000 0.00000
30 12XX 9.58769 0.00000 0.00000 0.00000 -0.10281
31 12YY 9.58769 0.00000 0.00000 0.00000 2.97003
32 12ZZ 9.58769 0.00000 0.00000 0.00000 -2.86722
33 12XY 0.00000 0.00000 0.00000 -1.93306 0.00000
34 12XZ 0.00000 -1.93306 0.00000 0.00000 0.00000
35 12YZ 0.00000 0.00000 -1.93306 0.00000 0.00000
36 13XXX 0.00000 0.00000 0.03672 0.00000 0.00000
37 13YYY 0.00000 0.03672 0.00000 0.00000 0.00000
38 13ZZZ 0.00000 0.00000 0.00000 0.03672 0.00000
39 13XYY 0.00000 0.00000 0.05074 0.00000 0.00000
40 13XXY 0.00000 0.05074 0.00000 0.00000 0.00000
41 13XXZ 0.00000 0.00000 0.00000 0.05074 0.00000
42 13XZZ 0.00000 0.00000 0.05074 0.00000 0.00000
43 13YZZ 0.00000 0.05074 0.00000 0.00000 0.00000
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45 13XYZ -0.08352 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.00000 8.18328 0.00000 0.00000
47 14YYY 0.00000 8.18328 0.00000 0.00000 0.00000
48 14ZZZ 0.00000 0.00000 0.00000 8.18328 0.00000
49 14XYY 0.00000 0.00000 0.63148 0.00000 0.00000
50 14XXY 0.00000 0.63148 0.00000 0.00000 0.00000
51 14XXZ 0.00000 0.00000 0.00000 0.63148 0.00000
52 14XZZ 0.00000 0.00000 0.63148 0.00000 0.00000
53 14YZZ 0.00000 0.63148 0.00000 0.00000 0.00000
54 14YYZ 0.00000 0.00000 0.00000 0.63148 0.00000
55 14XYZ -6.10157 0.00000 0.00000 0.00000 0.00000
56 2 H 1S -0.09588 -0.16691 -0.16691 -0.16691 0.00000
57 2S 19.05651 -1.64545 -1.64545 -1.64545 0.00000
58 3S -18.07219 14.07980 14.07980 14.07980 0.00000
59 4S 0.09449 -0.09485 -0.09485 -0.09485 0.00000
60 5PX 0.02525 -0.06086 0.03971 -0.06086 -0.00224
61 5PY 0.02525 0.03971 -0.06086 -0.06086 0.06464
62 5PZ 0.02525 -0.06086 -0.06086 0.03971 -0.06241
63 6PX -1.60480 1.58609 -1.50244 1.58609 0.06112
64 6PY -1.60480 -1.50244 1.58609 1.58609 -1.76569
65 6PZ -1.60480 1.58609 1.58609 -1.50244 1.70457
66 7PX 2.21151 -1.41406 -2.88722 -1.41406 0.05088
67 7PY 2.21151 -2.88722 -1.41406 -1.41406 -1.46976
68 7PZ 2.21151 -1.41406 -1.41406 -2.88722 1.41888
69 8XX -0.02463 -0.07040 -0.05091 -0.07040 -0.00111
70 8YY -0.02463 -0.05091 -0.07040 -0.07040 0.03208
71 8ZZ -0.02463 -0.07040 -0.07040 -0.05091 -0.03097
72 8XY 0.02564 -0.01417 -0.01417 -0.04186 0.01034
73 8XZ 0.02564 -0.04186 -0.01417 -0.01417 -0.01071
74 8YZ 0.02564 -0.01417 -0.04186 -0.01417 0.00037
75 9XX 2.01017 -1.35384 -0.54468 -1.35384 -0.02346
76 9YY 2.01017 -0.54468 -1.35384 -1.35384 0.67763
77 9ZZ 2.01017 -1.35384 -1.35384 -0.54468 -0.65417
78 9XY -1.05574 0.57424 0.57424 -0.76017 0.59307
79 9XZ -1.05574 -0.76017 0.57424 0.57424 -0.61433
80 9YZ -1.05574 0.57424 -0.76017 0.57424 0.02127
81 3 H 1S -0.09588 0.16691 0.16691 -0.16691 0.00000
82 2S 19.05651 1.64545 1.64545 -1.64545 0.00000
83 3S -18.07219 -14.07980 -14.07980 14.07980 0.00000
84 4S 0.09449 0.09485 0.09485 -0.09485 0.00000
85 5PX -0.02525 -0.06086 0.03971 0.06086 0.00224
86 5PY -0.02525 0.03971 -0.06086 0.06086 -0.06464
87 5PZ 0.02525 0.06086 0.06086 0.03971 -0.06241
88 6PX 1.60480 1.58609 -1.50244 -1.58609 -0.06112
89 6PY 1.60480 -1.50244 1.58609 -1.58609 1.76569
90 6PZ -1.60480 -1.58609 -1.58609 -1.50244 1.70457
91 7PX -2.21151 -1.41406 -2.88722 1.41406 -0.05088
92 7PY -2.21151 -2.88722 -1.41406 1.41406 1.46976
93 7PZ 2.21151 1.41406 1.41406 -2.88722 1.41888
94 8XX -0.02463 0.07040 0.05091 -0.07040 -0.00111
95 8YY -0.02463 0.05091 0.07040 -0.07040 0.03208
96 8ZZ -0.02463 0.07040 0.07040 -0.05091 -0.03097
97 8XY 0.02564 0.01417 0.01417 -0.04186 0.01034
98 8XZ -0.02564 -0.04186 -0.01417 0.01417 0.01071
99 8YZ -0.02564 -0.01417 -0.04186 0.01417 -0.00037
100 9XX 2.01017 1.35384 0.54468 -1.35384 -0.02346
101 9YY 2.01017 0.54468 1.35384 -1.35384 0.67763
102 9ZZ 2.01017 1.35384 1.35384 -0.54468 -0.65417
103 9XY -1.05574 -0.57424 -0.57424 -0.76017 0.59307
104 9XZ 1.05574 -0.76017 0.57424 -0.57424 0.61433
105 9YZ 1.05574 0.57424 -0.76017 -0.57424 -0.02127
106 4 H 1S -0.09588 -0.16691 0.16691 0.16691 0.00000
107 2S 19.05651 -1.64545 1.64545 1.64545 0.00000
108 3S -18.07219 14.07980 -14.07980 -14.07980 0.00000
109 4S 0.09449 -0.09485 0.09485 0.09485 0.00000
110 5PX -0.02525 0.06086 0.03971 -0.06086 0.00224
111 5PY 0.02525 0.03971 0.06086 0.06086 0.06464
112 5PZ -0.02525 0.06086 -0.06086 0.03971 0.06241
113 6PX 1.60480 -1.58609 -1.50244 1.58609 -0.06112
114 6PY -1.60480 -1.50244 -1.58609 -1.58609 -1.76569
115 6PZ 1.60480 -1.58609 1.58609 -1.50244 -1.70457
116 7PX -2.21151 1.41406 -2.88722 -1.41406 -0.05088
117 7PY 2.21151 -2.88722 1.41406 1.41406 -1.46976
118 7PZ -2.21151 1.41406 -1.41406 -2.88722 -1.41888
119 8XX -0.02463 -0.07040 0.05091 0.07040 -0.00111
120 8YY -0.02463 -0.05091 0.07040 0.07040 0.03208
121 8ZZ -0.02463 -0.07040 0.07040 0.05091 -0.03097
122 8XY -0.02564 0.01417 -0.01417 -0.04186 -0.01034
123 8XZ 0.02564 -0.04186 0.01417 0.01417 -0.01071
124 8YZ -0.02564 0.01417 -0.04186 -0.01417 -0.00037
125 9XX 2.01017 -1.35384 0.54468 1.35384 -0.02346
126 9YY 2.01017 -0.54468 1.35384 1.35384 0.67763
127 9ZZ 2.01017 -1.35384 1.35384 0.54468 -0.65417
128 9XY 1.05574 -0.57424 0.57424 -0.76017 -0.59307
129 9XZ -1.05574 -0.76017 -0.57424 -0.57424 -0.61433
130 9YZ 1.05574 -0.57424 -0.76017 0.57424 -0.02127
131 5 H 1S -0.09588 0.16691 -0.16691 0.16691 0.00000
132 2S 19.05651 1.64545 -1.64545 1.64545 0.00000
133 3S -18.07219 -14.07980 14.07980 -14.07980 0.00000
134 4S 0.09449 0.09485 -0.09485 0.09485 0.00000
135 5PX 0.02525 0.06086 0.03971 0.06086 -0.00224
136 5PY -0.02525 0.03971 0.06086 -0.06086 -0.06464
137 5PZ -0.02525 -0.06086 0.06086 0.03971 0.06241
138 6PX -1.60480 -1.58609 -1.50244 -1.58609 0.06112
139 6PY 1.60480 -1.50244 -1.58609 1.58609 1.76569
140 6PZ 1.60480 1.58609 -1.58609 -1.50244 -1.70457
141 7PX 2.21151 1.41406 -2.88722 1.41406 0.05088
142 7PY -2.21151 -2.88722 1.41406 -1.41406 1.46976
143 7PZ -2.21151 -1.41406 1.41406 -2.88722 -1.41888
144 8XX -0.02463 0.07040 -0.05091 0.07040 -0.00111
145 8YY -0.02463 0.05091 -0.07040 0.07040 0.03208
146 8ZZ -0.02463 0.07040 -0.07040 0.05091 -0.03097
147 8XY -0.02564 -0.01417 0.01417 -0.04186 -0.01034
148 8XZ -0.02564 -0.04186 0.01417 -0.01417 0.01071
149 8YZ 0.02564 0.01417 -0.04186 0.01417 0.00037
150 9XX 2.01017 1.35384 -0.54468 1.35384 -0.02346
151 9YY 2.01017 0.54468 -1.35384 1.35384 0.67763
152 9ZZ 2.01017 1.35384 -1.35384 0.54468 -0.65417
153 9XY 1.05574 0.57424 -0.57424 -0.76017 -0.59307
154 9XZ 1.05574 -0.76017 -0.57424 0.57424 0.61433
155 9YZ -1.05574 -0.57424 -0.76017 -0.57424 0.02127
91 92 93 94 95
(E)--V (T2)--V (T2)--V (T2)--V (A1)--V
Eigenvalues -- 2.24047 2.32076 2.32076 2.32076 2.71908
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.05530
2 2S 0.00000 0.00000 0.00000 0.00000 -0.45444
3 3S 0.00000 0.00000 0.00000 0.00000 -3.51171
4 4S 0.00000 0.00000 0.00000 0.00000 55.16230
5 5S 0.00000 0.00000 0.00000 0.00000 3.52639
6 6PX 0.00000 0.00000 0.00000 -0.39435 0.00000
7 6PY 0.00000 -0.39435 0.00000 0.00000 0.00000
8 6PZ 0.00000 0.00000 -0.39435 0.00000 0.00000
9 7PX 0.00000 0.00000 0.00000 -17.70109 0.00000
10 7PY 0.00000 -17.70109 0.00000 0.00000 0.00000
11 7PZ 0.00000 0.00000 -17.70109 0.00000 0.00000
12 8PX 0.00000 0.00000 0.00000 27.18167 0.00000
13 8PY 0.00000 27.18167 0.00000 0.00000 0.00000
14 8PZ 0.00000 0.00000 27.18167 0.00000 0.00000
15 9PX 0.00000 0.00000 0.00000 1.59625 0.00000
16 9PY 0.00000 1.59625 0.00000 0.00000 0.00000
17 9PZ 0.00000 0.00000 1.59625 0.00000 0.00000
18 10XX 0.00437 0.00000 0.00000 0.00000 -0.39832
19 10YY -0.00207 0.00000 0.00000 0.00000 -0.39832
20 10ZZ -0.00230 0.00000 0.00000 0.00000 -0.39832
21 10XY 0.00000 0.00000 -0.08414 0.00000 0.00000
22 10XZ 0.00000 -0.08414 0.00000 0.00000 0.00000
23 10YZ 0.00000 0.00000 0.00000 -0.08414 0.00000
24 11XX 5.44859 0.00000 0.00000 0.00000 -3.73626
25 11YY -2.58035 0.00000 0.00000 0.00000 -3.73626
26 11ZZ -2.86824 0.00000 0.00000 0.00000 -3.73626
27 11XY 0.00000 0.00000 -13.87912 0.00000 0.00000
28 11XZ 0.00000 -13.87912 0.00000 0.00000 0.00000
29 11YZ 0.00000 0.00000 0.00000 -13.87912 0.00000
30 12XX 3.37014 0.00000 0.00000 0.00000 6.15141
31 12YY -1.59603 0.00000 0.00000 0.00000 6.15141
32 12ZZ -1.77411 0.00000 0.00000 0.00000 6.15141
33 12XY 0.00000 0.00000 1.94057 0.00000 0.00000
34 12XZ 0.00000 1.94057 0.00000 0.00000 0.00000
35 12YZ 0.00000 0.00000 0.00000 1.94057 0.00000
36 13XXX 0.00000 0.00000 0.00000 -0.32121 0.00000
37 13YYY 0.00000 -0.32121 0.00000 0.00000 0.00000
38 13ZZZ 0.00000 0.00000 -0.32121 0.00000 0.00000
39 13XYY 0.00000 0.00000 0.00000 -0.45767 0.00000
40 13XXY 0.00000 -0.45767 0.00000 0.00000 0.00000
41 13XXZ 0.00000 0.00000 -0.45767 0.00000 0.00000
42 13XZZ 0.00000 0.00000 0.00000 -0.45767 0.00000
43 13YZZ 0.00000 -0.45767 0.00000 0.00000 0.00000
44 13YYZ 0.00000 0.00000 -0.45767 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.84314
46 14XXX 0.00000 0.00000 0.00000 -7.08493 0.00000
47 14YYY 0.00000 -7.08493 0.00000 0.00000 0.00000
48 14ZZZ 0.00000 0.00000 -7.08493 0.00000 0.00000
49 14XYY 0.00000 0.00000 0.00000 -7.92715 0.00000
50 14XXY 0.00000 -7.92715 0.00000 0.00000 0.00000
51 14XXZ 0.00000 0.00000 -7.92715 0.00000 0.00000
52 14XZZ 0.00000 0.00000 0.00000 -7.92715 0.00000
53 14YZZ 0.00000 -7.92715 0.00000 0.00000 0.00000
54 14YYZ 0.00000 0.00000 -7.92715 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.11280
56 2 H 1S 0.00000 0.09251 0.09251 0.09251 0.63077
57 2S 0.00000 16.24079 16.24079 16.24079 0.00008
58 3S 0.00000 -12.39262 -12.39262 -12.39262 -19.59618
59 4S 0.00000 -0.77965 -0.77965 -0.77965 -0.24097
60 5PX 0.07335 -0.01856 -0.01856 -0.00729 0.11270
61 5PY -0.03474 -0.00729 -0.01856 -0.01856 0.11270
62 5PZ -0.03861 -0.01856 -0.00729 -0.01856 0.11270
63 6PX -2.00356 -2.81968 -2.81968 -4.71908 -0.06812
64 6PY 0.94885 -4.71908 -2.81968 -2.81968 -0.06812
65 6PZ 1.05471 -2.81968 -4.71908 -2.81968 -0.06812
66 7PX -1.66776 1.70215 1.70215 -0.01147 1.86698
67 7PY 0.78982 -0.01147 1.70215 1.70215 1.86698
68 7PZ 0.87794 1.70215 -0.01147 1.70215 1.86698
69 8XX 0.03640 0.05567 0.05567 0.11062 0.19167
70 8YY -0.01724 0.11062 0.05567 0.05567 0.19167
71 8ZZ -0.01916 0.05567 0.11062 0.05567 0.19167
72 8XY 0.00640 0.11709 0.06213 0.11709 -0.12992
73 8XZ 0.00576 0.06213 0.11709 0.11709 -0.12992
74 8YZ -0.01216 0.11709 0.11709 0.06213 -0.12992
75 9XX 0.76892 -0.19663 -0.19663 -0.09920 1.62817
76 9YY -0.36414 -0.09920 -0.19663 -0.19663 1.62817
77 9ZZ -0.40477 -0.19663 -0.09920 -0.19663 1.62817
78 9XY 0.36696 0.60257 -0.10109 0.60257 0.13362
79 9XZ 0.33013 -0.10109 0.60257 0.60257 0.13362
80 9YZ -0.69709 0.60257 0.60257 -0.10109 0.13362
81 3 H 1S 0.00000 -0.09251 0.09251 -0.09251 0.63077
82 2S 0.00000 -16.24079 16.24079 -16.24079 0.00008
83 3S 0.00000 12.39262 -12.39262 12.39262 -19.59618
84 4S 0.00000 0.77965 -0.77965 0.77965 -0.24097
85 5PX -0.07335 -0.01856 0.01856 -0.00729 -0.11270
86 5PY 0.03474 -0.00729 0.01856 -0.01856 -0.11270
87 5PZ -0.03861 0.01856 -0.00729 0.01856 0.11270
88 6PX 2.00356 -2.81968 2.81968 -4.71908 0.06812
89 6PY -0.94885 -4.71908 2.81968 -2.81968 0.06812
90 6PZ 1.05471 2.81968 -4.71908 2.81968 -0.06812
91 7PX 1.66776 1.70215 -1.70215 -0.01147 -1.86698
92 7PY -0.78982 -0.01147 -1.70215 1.70215 -1.86698
93 7PZ 0.87794 -1.70215 -0.01147 -1.70215 1.86698
94 8XX 0.03640 -0.05567 0.05567 -0.11062 0.19167
95 8YY -0.01724 -0.11062 0.05567 -0.05567 0.19167
96 8ZZ -0.01916 -0.05567 0.11062 -0.05567 0.19167
97 8XY 0.00640 -0.11709 0.06213 -0.11709 -0.12992
98 8XZ -0.00576 0.06213 -0.11709 0.11709 0.12992
99 8YZ 0.01216 0.11709 -0.11709 0.06213 0.12992
100 9XX 0.76892 0.19663 -0.19663 0.09920 1.62817
101 9YY -0.36414 0.09920 -0.19663 0.19663 1.62817
102 9ZZ -0.40477 0.19663 -0.09920 0.19663 1.62817
103 9XY 0.36696 -0.60257 -0.10109 -0.60257 0.13362
104 9XZ -0.33013 -0.10109 -0.60257 0.60257 -0.13362
105 9YZ 0.69709 0.60257 -0.60257 -0.10109 -0.13362
106 4 H 1S 0.00000 0.09251 -0.09251 -0.09251 0.63077
107 2S 0.00000 16.24079 -16.24079 -16.24079 0.00008
108 3S 0.00000 -12.39262 12.39262 12.39262 -19.59618
109 4S 0.00000 -0.77965 0.77965 0.77965 -0.24097
110 5PX -0.07335 0.01856 -0.01856 -0.00729 -0.11270
111 5PY -0.03474 -0.00729 0.01856 0.01856 0.11270
112 5PZ 0.03861 0.01856 -0.00729 -0.01856 -0.11270
113 6PX 2.00356 2.81968 -2.81968 -4.71908 0.06812
114 6PY 0.94885 -4.71908 2.81968 2.81968 -0.06812
115 6PZ -1.05471 2.81968 -4.71908 -2.81968 0.06812
116 7PX 1.66776 -1.70215 1.70215 -0.01147 -1.86698
117 7PY 0.78982 -0.01147 -1.70215 -1.70215 1.86698
118 7PZ -0.87794 -1.70215 -0.01147 1.70215 -1.86698
119 8XX 0.03640 0.05567 -0.05567 -0.11062 0.19167
120 8YY -0.01724 0.11062 -0.05567 -0.05567 0.19167
121 8ZZ -0.01916 0.05567 -0.11062 -0.05567 0.19167
122 8XY -0.00640 -0.11709 0.06213 0.11709 0.12992
123 8XZ 0.00576 0.06213 -0.11709 -0.11709 -0.12992
124 8YZ 0.01216 -0.11709 0.11709 0.06213 0.12992
125 9XX 0.76892 -0.19663 0.19663 0.09920 1.62817
126 9YY -0.36414 -0.09920 0.19663 0.19663 1.62817
127 9ZZ -0.40477 -0.19663 0.09920 0.19663 1.62817
128 9XY -0.36696 -0.60257 -0.10109 0.60257 -0.13362
129 9XZ 0.33013 -0.10109 -0.60257 -0.60257 0.13362
130 9YZ 0.69709 -0.60257 0.60257 -0.10109 -0.13362
131 5 H 1S 0.00000 -0.09251 -0.09251 0.09251 0.63077
132 2S 0.00000 -16.24079 -16.24079 16.24079 0.00008
133 3S 0.00000 12.39262 12.39262 -12.39262 -19.59618
134 4S 0.00000 0.77965 0.77965 -0.77965 -0.24097
135 5PX 0.07335 0.01856 0.01856 -0.00729 0.11270
136 5PY 0.03474 -0.00729 -0.01856 0.01856 -0.11270
137 5PZ 0.03861 -0.01856 -0.00729 0.01856 -0.11270
138 6PX -2.00356 2.81968 2.81968 -4.71908 -0.06812
139 6PY -0.94885 -4.71908 -2.81968 2.81968 0.06812
140 6PZ -1.05471 -2.81968 -4.71908 2.81968 0.06812
141 7PX -1.66776 -1.70215 -1.70215 -0.01147 1.86698
142 7PY -0.78982 -0.01147 1.70215 -1.70215 -1.86698
143 7PZ -0.87794 1.70215 -0.01147 -1.70215 -1.86698
144 8XX 0.03640 -0.05567 -0.05567 0.11062 0.19167
145 8YY -0.01724 -0.11062 -0.05567 0.05567 0.19167
146 8ZZ -0.01916 -0.05567 -0.11062 0.05567 0.19167
147 8XY -0.00640 0.11709 0.06213 -0.11709 0.12992
148 8XZ -0.00576 0.06213 0.11709 -0.11709 0.12992
149 8YZ -0.01216 -0.11709 -0.11709 0.06213 -0.12992
150 9XX 0.76892 0.19663 0.19663 -0.09920 1.62817
151 9YY -0.36414 0.09920 0.19663 -0.19663 1.62817
152 9ZZ -0.40477 0.19663 0.09920 -0.19663 1.62817
153 9XY -0.36696 0.60257 -0.10109 -0.60257 -0.13362
154 9XZ -0.33013 -0.10109 0.60257 -0.60257 -0.13362
155 9YZ -0.69709 -0.60257 -0.60257 -0.10109 0.13362
96 97 98 99 100
(T2)--V (T2)--V (T2)--V (E)--V (E)--V
Eigenvalues -- 3.42190 3.42190 3.42190 3.48897 3.48897
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 -0.53084 0.00000 0.00000
7 6PY 0.00000 -0.53084 0.00000 0.00000 0.00000
8 6PZ -0.53084 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 -3.41401 0.00000 0.00000
10 7PY 0.00000 -3.41401 0.00000 0.00000 0.00000
11 7PZ -3.41401 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 15.99037 0.00000 0.00000
13 8PY 0.00000 15.99037 0.00000 0.00000 0.00000
14 8PZ 15.99037 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 0.75737 0.00000 0.00000
16 9PY 0.00000 0.75737 0.00000 0.00000 0.00000
17 9PZ 0.75737 0.00000 0.00000 0.00000 0.00000
18 10XX 0.00000 0.00000 0.00000 0.44455 -0.88425
19 10YY 0.00000 0.00000 0.00000 -0.98806 0.05714
20 10ZZ 0.00000 0.00000 0.00000 0.54351 0.82712
21 10XY 0.01113 0.00000 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.01113 0.00000 0.00000 0.00000
23 10YZ 0.00000 0.00000 0.01113 0.00000 0.00000
24 11XX 0.00000 0.00000 0.00000 -1.30848 2.60271
25 11YY 0.00000 0.00000 0.00000 2.90825 -0.16818
26 11ZZ 0.00000 0.00000 0.00000 -1.59977 -2.43453
27 11XY -1.04045 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 -1.04045 0.00000 0.00000 0.00000
29 11YZ 0.00000 0.00000 -1.04045 0.00000 0.00000
30 12XX 0.00000 0.00000 0.00000 0.25812 -0.51344
31 12YY 0.00000 0.00000 0.00000 -0.57371 0.03318
32 12ZZ 0.00000 0.00000 0.00000 0.31559 0.48026
33 12XY 1.67198 0.00000 0.00000 0.00000 0.00000
34 12XZ 0.00000 1.67198 0.00000 0.00000 0.00000
35 12YZ 0.00000 0.00000 1.67198 0.00000 0.00000
36 13XXX 0.00000 0.00000 0.66283 0.00000 0.00000
37 13YYY 0.00000 0.66283 0.00000 0.00000 0.00000
38 13ZZZ 0.66283 0.00000 0.00000 0.00000 0.00000
39 13XYY 0.00000 0.00000 -0.52014 0.00000 0.00000
40 13XXY 0.00000 -0.52014 0.00000 0.00000 0.00000
41 13XXZ -0.52014 0.00000 0.00000 0.00000 0.00000
42 13XZZ 0.00000 0.00000 -0.52014 0.00000 0.00000
43 13YZZ 0.00000 -0.52014 0.00000 0.00000 0.00000
44 13YYZ -0.52014 0.00000 0.00000 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.00000 -5.41594 0.00000 0.00000
47 14YYY 0.00000 -5.41594 0.00000 0.00000 0.00000
48 14ZZZ -5.41594 0.00000 0.00000 0.00000 0.00000
49 14XYY 0.00000 0.00000 -0.87685 0.00000 0.00000
50 14XXY 0.00000 -0.87685 0.00000 0.00000 0.00000
51 14XXZ -0.87685 0.00000 0.00000 0.00000 0.00000
52 14XZZ 0.00000 0.00000 -0.87685 0.00000 0.00000
53 14YZZ 0.00000 -0.87685 0.00000 0.00000 0.00000
54 14YYZ -0.87685 0.00000 0.00000 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S -0.91114 -0.91114 -0.91114 0.00000 0.00000
57 2S 2.86740 2.86740 2.86740 0.00000 0.00000
58 3S -6.99954 -6.99954 -6.99954 0.00000 0.00000
59 4S -0.54184 -0.54184 -0.54184 0.00000 0.00000
60 5PX -0.06701 -0.06701 0.02799 0.08904 -0.17711
61 5PY -0.06701 0.02799 -0.06701 -0.19790 0.01144
62 5PZ 0.02799 -0.06701 -0.06701 0.10886 0.16566
63 6PX -0.64791 -0.64791 -0.24982 0.28297 -0.56286
64 6PY -0.64791 -0.24982 -0.64791 -0.62893 0.03637
65 6PZ -0.24982 -0.64791 -0.64791 0.34596 0.52649
66 7PX 1.07934 1.07934 0.41985 -0.07379 0.14678
67 7PY 1.07934 0.41985 1.07934 0.16401 -0.00948
68 7PZ 0.41985 1.07934 1.07934 -0.09022 -0.13729
69 8XX -0.36000 -0.36000 -0.26192 -0.10263 0.20415
70 8YY -0.36000 -0.26192 -0.36000 0.22812 -0.01319
71 8ZZ -0.26192 -0.36000 -0.36000 -0.12548 -0.19096
72 8XY -0.01786 -0.06805 -0.06805 0.00432 0.00658
73 8XZ -0.06805 -0.01786 -0.06805 -0.00786 0.00045
74 8YZ -0.06805 -0.06805 -0.01786 0.00354 -0.00703
75 9XX -0.92630 -0.92630 -0.62719 -0.02021 0.04020
76 9YY -0.92630 -0.62719 -0.92630 0.04492 -0.00260
77 9ZZ -0.62719 -0.92630 -0.92630 -0.02471 -0.03760
78 9XY 0.39388 -0.01547 -0.01547 0.14052 0.21384
79 9XZ -0.01547 0.39388 -0.01547 -0.25546 0.01477
80 9YZ -0.01547 -0.01547 0.39388 0.11493 -0.22862
81 3 H 1S -0.91114 0.91114 0.91114 0.00000 0.00000
82 2S 2.86740 -2.86740 -2.86740 0.00000 0.00000
83 3S -6.99954 6.99954 6.99954 0.00000 0.00000
84 4S -0.54184 0.54184 0.54184 0.00000 0.00000
85 5PX 0.06701 -0.06701 0.02799 -0.08904 0.17711
86 5PY 0.06701 0.02799 -0.06701 0.19790 -0.01144
87 5PZ 0.02799 0.06701 0.06701 0.10886 0.16566
88 6PX 0.64791 -0.64791 -0.24982 -0.28297 0.56286
89 6PY 0.64791 -0.24982 -0.64791 0.62893 -0.03637
90 6PZ -0.24982 0.64791 0.64791 0.34596 0.52649
91 7PX -1.07934 1.07934 0.41985 0.07379 -0.14678
92 7PY -1.07934 0.41985 1.07934 -0.16401 0.00948
93 7PZ 0.41985 -1.07934 -1.07934 -0.09022 -0.13729
94 8XX -0.36000 0.36000 0.26192 -0.10263 0.20415
95 8YY -0.36000 0.26192 0.36000 0.22812 -0.01319
96 8ZZ -0.26192 0.36000 0.36000 -0.12548 -0.19096
97 8XY -0.01786 0.06805 0.06805 0.00432 0.00658
98 8XZ 0.06805 -0.01786 -0.06805 0.00786 -0.00045
99 8YZ 0.06805 -0.06805 -0.01786 -0.00354 0.00703
100 9XX -0.92630 0.92630 0.62719 -0.02021 0.04020
101 9YY -0.92630 0.62719 0.92630 0.04492 -0.00260
102 9ZZ -0.62719 0.92630 0.92630 -0.02471 -0.03760
103 9XY 0.39388 0.01547 0.01547 0.14052 0.21384
104 9XZ 0.01547 0.39388 -0.01547 0.25546 -0.01477
105 9YZ 0.01547 -0.01547 0.39388 -0.11493 0.22862
106 4 H 1S 0.91114 -0.91114 0.91114 0.00000 0.00000
107 2S -2.86740 2.86740 -2.86740 0.00000 0.00000
108 3S 6.99954 -6.99954 6.99954 0.00000 0.00000
109 4S 0.54184 -0.54184 0.54184 0.00000 0.00000
110 5PX -0.06701 0.06701 0.02799 -0.08904 0.17711
111 5PY 0.06701 0.02799 0.06701 -0.19790 0.01144
112 5PZ 0.02799 0.06701 -0.06701 -0.10886 -0.16566
113 6PX -0.64791 0.64791 -0.24982 -0.28297 0.56286
114 6PY 0.64791 -0.24982 0.64791 -0.62893 0.03637
115 6PZ -0.24982 0.64791 -0.64791 -0.34596 -0.52649
116 7PX 1.07934 -1.07934 0.41985 0.07379 -0.14678
117 7PY -1.07934 0.41985 -1.07934 0.16401 -0.00948
118 7PZ 0.41985 -1.07934 1.07934 0.09022 0.13729
119 8XX 0.36000 -0.36000 0.26192 -0.10263 0.20415
120 8YY 0.36000 -0.26192 0.36000 0.22812 -0.01319
121 8ZZ 0.26192 -0.36000 0.36000 -0.12548 -0.19096
122 8XY -0.01786 0.06805 -0.06805 -0.00432 -0.00658
123 8XZ 0.06805 -0.01786 0.06805 -0.00786 0.00045
124 8YZ -0.06805 0.06805 -0.01786 -0.00354 0.00703
125 9XX 0.92630 -0.92630 0.62719 -0.02021 0.04020
126 9YY 0.92630 -0.62719 0.92630 0.04492 -0.00260
127 9ZZ 0.62719 -0.92630 0.92630 -0.02471 -0.03760
128 9XY 0.39388 0.01547 -0.01547 -0.14052 -0.21384
129 9XZ 0.01547 0.39388 0.01547 -0.25546 0.01477
130 9YZ -0.01547 0.01547 0.39388 -0.11493 0.22862
131 5 H 1S 0.91114 0.91114 -0.91114 0.00000 0.00000
132 2S -2.86740 -2.86740 2.86740 0.00000 0.00000
133 3S 6.99954 6.99954 -6.99954 0.00000 0.00000
134 4S 0.54184 0.54184 -0.54184 0.00000 0.00000
135 5PX 0.06701 0.06701 0.02799 0.08904 -0.17711
136 5PY -0.06701 0.02799 0.06701 0.19790 -0.01144
137 5PZ 0.02799 -0.06701 0.06701 -0.10886 -0.16566
138 6PX 0.64791 0.64791 -0.24982 0.28297 -0.56286
139 6PY -0.64791 -0.24982 0.64791 0.62893 -0.03637
140 6PZ -0.24982 -0.64791 0.64791 -0.34596 -0.52649
141 7PX -1.07934 -1.07934 0.41985 -0.07379 0.14678
142 7PY 1.07934 0.41985 -1.07934 -0.16401 0.00948
143 7PZ 0.41985 1.07934 -1.07934 0.09022 0.13729
144 8XX 0.36000 0.36000 -0.26192 -0.10263 0.20415
145 8YY 0.36000 0.26192 -0.36000 0.22812 -0.01319
146 8ZZ 0.26192 0.36000 -0.36000 -0.12548 -0.19096
147 8XY -0.01786 -0.06805 0.06805 -0.00432 -0.00658
148 8XZ -0.06805 -0.01786 0.06805 0.00786 -0.00045
149 8YZ 0.06805 0.06805 -0.01786 0.00354 -0.00703
150 9XX 0.92630 0.92630 -0.62719 -0.02021 0.04020
151 9YY 0.92630 0.62719 -0.92630 0.04492 -0.00260
152 9ZZ 0.62719 0.92630 -0.92630 -0.02471 -0.03760
153 9XY 0.39388 -0.01547 0.01547 -0.14052 -0.21384
154 9XZ -0.01547 0.39388 0.01547 0.25546 -0.01477
155 9YZ 0.01547 0.01547 0.39388 0.11493 -0.22862
101 102 103 104 105
(T1)--V (T1)--V (T1)--V (T2)--V (T2)--V
Eigenvalues -- 3.57638 3.57638 3.57638 3.70559 3.70559
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.00000 0.00000 -0.50059
7 6PY 0.00000 0.00000 0.00000 -0.50059 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 0.00000 0.00000 10.26001
10 7PY 0.00000 0.00000 0.00000 10.26001 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 0.00000 0.00000 -9.93911
13 8PY 0.00000 0.00000 0.00000 -9.93911 0.00000
14 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 0.00000 0.00000 -0.04956
16 9PY 0.00000 0.00000 0.00000 -0.04956 0.00000
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
18 10XX 0.00000 0.00000 0.00000 0.00000 0.00000
19 10YY 0.00000 0.00000 0.00000 0.00000 0.00000
20 10ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 10XY 0.00000 0.00000 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.00000 -0.36070 0.00000
23 10YZ 0.00000 0.00000 0.00000 0.00000 -0.36070
24 11XX 0.00000 0.00000 0.00000 0.00000 0.00000
25 11YY 0.00000 0.00000 0.00000 0.00000 0.00000
26 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
27 11XY 0.00000 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 7.05999 0.00000
29 11YZ 0.00000 0.00000 0.00000 0.00000 7.05999
30 12XX 0.00000 0.00000 0.00000 0.00000 0.00000
31 12YY 0.00000 0.00000 0.00000 0.00000 0.00000
32 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
33 12XY 0.00000 0.00000 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.00000 -0.52061 0.00000
35 12YZ 0.00000 0.00000 0.00000 0.00000 -0.52061
36 13XXX 0.00000 0.00000 0.00000 0.00000 0.97371
37 13YYY 0.00000 0.00000 0.00000 0.97371 0.00000
38 13ZZZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 13XYY 0.00000 0.84464 0.00000 0.00000 0.41193
40 13XXY 0.84464 0.00000 0.00000 0.41193 0.00000
41 13XXZ 0.00000 0.00000 0.84464 0.00000 0.00000
42 13XZZ 0.00000 -0.84464 0.00000 0.00000 0.41193
43 13YZZ -0.84464 0.00000 0.00000 0.41193 0.00000
44 13YYZ 0.00000 0.00000 -0.84464 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.00000 0.00000 0.00000 3.40967
47 14YYY 0.00000 0.00000 0.00000 3.40967 0.00000
48 14ZZZ 0.00000 0.00000 0.00000 0.00000 0.00000
49 14XYY 0.00000 -0.30618 0.00000 0.00000 3.97599
50 14XXY -0.30618 0.00000 0.00000 3.97599 0.00000
51 14XXZ 0.00000 0.00000 -0.30618 0.00000 0.00000
52 14XZZ 0.00000 0.30618 0.00000 0.00000 3.97599
53 14YZZ 0.30618 0.00000 0.00000 3.97599 0.00000
54 14YYZ 0.00000 0.00000 0.30618 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S 0.00000 0.00000 0.00000 0.76927 0.76927
57 2S 0.00000 0.00000 0.00000 -9.73193 -9.73193
58 3S 0.00000 0.00000 0.00000 1.89844 1.89844
59 4S 0.00000 0.00000 0.00000 0.05945 0.05945
60 5PX 0.12188 0.00000 0.12188 0.08460 0.20946
61 5PY 0.00000 0.12188 -0.12188 0.20946 0.08460
62 5PZ -0.12188 -0.12188 0.00000 0.08460 0.08460
63 6PX -0.40564 0.00000 -0.40564 1.65188 1.83995
64 6PY 0.00000 -0.40564 0.40564 1.83995 1.65188
65 6PZ 0.40564 0.40564 0.00000 1.65188 1.65188
66 7PX -0.25270 0.00000 -0.25270 -0.39142 0.14583
67 7PY 0.00000 -0.25270 0.25270 0.14583 -0.39142
68 7PZ 0.25270 0.25270 0.00000 -0.39142 -0.39142
69 8XX -0.14119 0.00000 -0.14119 0.20034 0.20109
70 8YY 0.00000 -0.14119 0.14119 0.20109 0.20034
71 8ZZ 0.14119 0.14119 0.00000 0.20034 0.20034
72 8XY 0.09259 0.09259 0.00000 -0.11766 -0.11766
73 8XZ 0.00000 -0.09259 0.09259 0.15354 -0.11766
74 8YZ -0.09259 0.00000 -0.09259 -0.11766 0.15354
75 9XX 0.35995 0.00000 0.35995 0.81987 1.21216
76 9YY 0.00000 0.35995 -0.35995 1.21216 0.81987
77 9ZZ -0.35995 -0.35995 0.00000 0.81987 0.81987
78 9XY 0.23000 0.23000 0.00000 -0.19955 -0.19955
79 9XZ 0.00000 -0.23000 0.23000 -0.26999 -0.19955
80 9YZ -0.23000 0.00000 -0.23000 -0.19955 -0.26999
81 3 H 1S 0.00000 0.00000 0.00000 -0.76927 -0.76927
82 2S 0.00000 0.00000 0.00000 9.73193 9.73193
83 3S 0.00000 0.00000 0.00000 -1.89844 -1.89844
84 4S 0.00000 0.00000 0.00000 -0.05945 -0.05945
85 5PX 0.12188 0.00000 -0.12188 0.08460 0.20946
86 5PY 0.00000 0.12188 0.12188 0.20946 0.08460
87 5PZ 0.12188 0.12188 0.00000 -0.08460 -0.08460
88 6PX -0.40564 0.00000 0.40564 1.65188 1.83995
89 6PY 0.00000 -0.40564 -0.40564 1.83995 1.65188
90 6PZ -0.40564 -0.40564 0.00000 -1.65188 -1.65188
91 7PX -0.25270 0.00000 0.25270 -0.39142 0.14583
92 7PY 0.00000 -0.25270 -0.25270 0.14583 -0.39142
93 7PZ -0.25270 -0.25270 0.00000 0.39142 0.39142
94 8XX 0.14119 0.00000 -0.14119 -0.20034 -0.20109
95 8YY 0.00000 0.14119 0.14119 -0.20109 -0.20034
96 8ZZ -0.14119 -0.14119 0.00000 -0.20034 -0.20034
97 8XY -0.09259 -0.09259 0.00000 0.11766 0.11766
98 8XZ 0.00000 -0.09259 -0.09259 0.15354 -0.11766
99 8YZ -0.09259 0.00000 0.09259 -0.11766 0.15354
100 9XX -0.35995 0.00000 0.35995 -0.81987 -1.21216
101 9YY 0.00000 -0.35995 -0.35995 -1.21216 -0.81987
102 9ZZ 0.35995 0.35995 0.00000 -0.81987 -0.81987
103 9XY -0.23000 -0.23000 0.00000 0.19955 0.19955
104 9XZ 0.00000 -0.23000 -0.23000 -0.26999 -0.19955
105 9YZ -0.23000 0.00000 0.23000 -0.19955 -0.26999
106 4 H 1S 0.00000 0.00000 0.00000 0.76927 -0.76927
107 2S 0.00000 0.00000 0.00000 -9.73193 9.73193
108 3S 0.00000 0.00000 0.00000 1.89844 -1.89844
109 4S 0.00000 0.00000 0.00000 0.05945 -0.05945
110 5PX -0.12188 0.00000 0.12188 -0.08460 0.20946
111 5PY 0.00000 -0.12188 0.12188 0.20946 -0.08460
112 5PZ 0.12188 -0.12188 0.00000 -0.08460 0.08460
113 6PX 0.40564 0.00000 -0.40564 -1.65188 1.83995
114 6PY 0.00000 0.40564 -0.40564 1.83995 -1.65188
115 6PZ -0.40564 0.40564 0.00000 -1.65188 1.65188
116 7PX 0.25270 0.00000 -0.25270 0.39142 0.14583
117 7PY 0.00000 0.25270 -0.25270 0.14583 0.39142
118 7PZ -0.25270 0.25270 0.00000 0.39142 -0.39142
119 8XX -0.14119 0.00000 0.14119 0.20034 -0.20109
120 8YY 0.00000 0.14119 -0.14119 0.20109 -0.20034
121 8ZZ 0.14119 -0.14119 0.00000 0.20034 -0.20034
122 8XY -0.09259 0.09259 0.00000 0.11766 -0.11766
123 8XZ 0.00000 0.09259 -0.09259 0.15354 0.11766
124 8YZ 0.09259 0.00000 -0.09259 0.11766 0.15354
125 9XX 0.35995 0.00000 -0.35995 0.81987 -1.21216
126 9YY 0.00000 -0.35995 0.35995 1.21216 -0.81987
127 9ZZ -0.35995 0.35995 0.00000 0.81987 -0.81987
128 9XY -0.23000 0.23000 0.00000 0.19955 -0.19955
129 9XZ 0.00000 0.23000 -0.23000 -0.26999 0.19955
130 9YZ 0.23000 0.00000 -0.23000 0.19955 -0.26999
131 5 H 1S 0.00000 0.00000 0.00000 -0.76927 0.76927
132 2S 0.00000 0.00000 0.00000 9.73193 -9.73193
133 3S 0.00000 0.00000 0.00000 -1.89844 1.89844
134 4S 0.00000 0.00000 0.00000 -0.05945 0.05945
135 5PX -0.12188 0.00000 -0.12188 -0.08460 0.20946
136 5PY 0.00000 -0.12188 -0.12188 0.20946 -0.08460
137 5PZ -0.12188 0.12188 0.00000 0.08460 -0.08460
138 6PX 0.40564 0.00000 0.40564 -1.65188 1.83995
139 6PY 0.00000 0.40564 0.40564 1.83995 -1.65188
140 6PZ 0.40564 -0.40564 0.00000 1.65188 -1.65188
141 7PX 0.25270 0.00000 0.25270 0.39142 0.14583
142 7PY 0.00000 0.25270 0.25270 0.14583 0.39142
143 7PZ 0.25270 -0.25270 0.00000 -0.39142 0.39142
144 8XX 0.14119 0.00000 0.14119 -0.20034 0.20109
145 8YY 0.00000 -0.14119 -0.14119 -0.20109 0.20034
146 8ZZ -0.14119 0.14119 0.00000 -0.20034 0.20034
147 8XY 0.09259 -0.09259 0.00000 -0.11766 0.11766
148 8XZ 0.00000 0.09259 0.09259 0.15354 0.11766
149 8YZ 0.09259 0.00000 0.09259 0.11766 0.15354
150 9XX -0.35995 0.00000 -0.35995 -0.81987 1.21216
151 9YY 0.00000 0.35995 0.35995 -1.21216 0.81987
152 9ZZ 0.35995 -0.35995 0.00000 -0.81987 0.81987
153 9XY 0.23000 -0.23000 0.00000 -0.19955 0.19955
154 9XZ 0.00000 0.23000 0.23000 -0.26999 0.19955
155 9YZ 0.23000 0.00000 0.23000 0.19955 -0.26999
106 107 108 109 110
(T2)--V (T2)--V (T2)--V (T2)--V (A1)--V
Eigenvalues -- 3.70559 3.89927 3.89927 3.89927 3.93027
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.32061
2 2S 0.00000 0.00000 0.00000 0.00000 0.47280
3 3S 0.00000 0.00000 0.00000 0.00000 -7.48395
4 4S 0.00000 0.00000 0.00000 0.00000 25.50209
5 5S 0.00000 0.00000 0.00000 0.00000 3.01226
6 6PX 0.00000 0.00000 0.00000 -0.58223 0.00000
7 6PY 0.00000 -0.58223 0.00000 0.00000 0.00000
8 6PZ -0.50059 0.00000 -0.58223 0.00000 0.00000
9 7PX 0.00000 0.00000 0.00000 4.02962 0.00000
10 7PY 0.00000 4.02962 0.00000 0.00000 0.00000
11 7PZ 10.26001 0.00000 4.02962 0.00000 0.00000
12 8PX 0.00000 0.00000 0.00000 -0.61377 0.00000
13 8PY 0.00000 -0.61377 0.00000 0.00000 0.00000
14 8PZ -9.93911 0.00000 -0.61377 0.00000 0.00000
15 9PX 0.00000 0.00000 0.00000 -0.01197 0.00000
16 9PY 0.00000 -0.01197 0.00000 0.00000 0.00000
17 9PZ -0.04956 0.00000 -0.01197 0.00000 0.00000
18 10XX 0.00000 0.00000 0.00000 0.00000 -1.27479
19 10YY 0.00000 0.00000 0.00000 0.00000 -1.27479
20 10ZZ 0.00000 0.00000 0.00000 0.00000 -1.27479
21 10XY -0.36070 0.00000 1.03943 0.00000 0.00000
22 10XZ 0.00000 1.03943 0.00000 0.00000 0.00000
23 10YZ 0.00000 0.00000 0.00000 1.03943 0.00000
24 11XX 0.00000 0.00000 0.00000 0.00000 -8.84966
25 11YY 0.00000 0.00000 0.00000 0.00000 -8.84966
26 11ZZ 0.00000 0.00000 0.00000 0.00000 -8.84966
27 11XY 7.05999 0.00000 -1.26286 0.00000 0.00000
28 11XZ 0.00000 -1.26286 0.00000 0.00000 0.00000
29 11YZ 0.00000 0.00000 0.00000 -1.26286 0.00000
30 12XX 0.00000 0.00000 0.00000 0.00000 -1.48307
31 12YY 0.00000 0.00000 0.00000 0.00000 -1.48307
32 12ZZ 0.00000 0.00000 0.00000 0.00000 -1.48307
33 12XY -0.52061 0.00000 -0.59481 0.00000 0.00000
34 12XZ 0.00000 -0.59481 0.00000 0.00000 0.00000
35 12YZ 0.00000 0.00000 0.00000 -0.59481 0.00000
36 13XXX 0.00000 0.00000 0.00000 0.40585 0.00000
37 13YYY 0.00000 0.40585 0.00000 0.00000 0.00000
38 13ZZZ 0.97371 0.00000 0.40585 0.00000 0.00000
39 13XYY 0.00000 0.00000 0.00000 0.22328 0.00000
40 13XXY 0.00000 0.22328 0.00000 0.00000 0.00000
41 13XXZ 0.41193 0.00000 0.22328 0.00000 0.00000
42 13XZZ 0.00000 0.00000 0.00000 0.22328 0.00000
43 13YZZ 0.00000 0.22328 0.00000 0.00000 0.00000
44 13YYZ 0.41193 0.00000 0.22328 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 -0.62232
46 14XXX 0.00000 0.00000 0.00000 0.91131 0.00000
47 14YYY 0.00000 0.91131 0.00000 0.00000 0.00000
48 14ZZZ 3.40967 0.00000 0.91131 0.00000 0.00000
49 14XYY 0.00000 0.00000 0.00000 -0.59481 0.00000
50 14XXY 0.00000 -0.59481 0.00000 0.00000 0.00000
51 14XXZ 3.97599 0.00000 -0.59481 0.00000 0.00000
52 14XZZ 0.00000 0.00000 0.00000 -0.59481 0.00000
53 14YZZ 0.00000 -0.59481 0.00000 0.00000 0.00000
54 14YYZ 3.97599 0.00000 -0.59481 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 -0.86492
56 2 H 1S 0.76927 0.20914 0.20914 0.20914 -0.37320
57 2S -9.73193 -1.20485 -1.20485 -1.20485 4.08547
58 3S 1.89844 -0.61140 -0.61140 -0.61140 -1.87210
59 4S 0.05945 -0.11974 -0.11974 -0.11974 -0.19340
60 5PX 0.08460 -0.13763 -0.13763 -0.19340 -0.00268
61 5PY 0.08460 -0.19340 -0.13763 -0.13763 -0.00268
62 5PZ 0.20946 -0.13763 -0.19340 -0.13763 -0.00268
63 6PX 1.65188 1.34426 1.34426 0.52842 -0.72713
64 6PY 1.65188 0.52842 1.34426 1.34426 -0.72713
65 6PZ 1.83995 1.34426 0.52842 1.34426 -0.72713
66 7PX -0.39142 0.46849 0.46849 0.33664 0.52168
67 7PY -0.39142 0.33664 0.46849 0.46849 0.52168
68 7PZ 0.14583 0.46849 0.33664 0.46849 0.52168
69 8XX 0.20034 -0.04341 -0.04341 0.09499 -0.09194
70 8YY 0.20034 0.09499 -0.04341 -0.04341 -0.09194
71 8ZZ 0.20109 -0.04341 0.09499 -0.04341 -0.09194
72 8XY 0.15354 0.01428 -0.00690 0.01428 -0.05284
73 8XZ -0.11766 -0.00690 0.01428 0.01428 -0.05284
74 8YZ -0.11766 0.01428 0.01428 -0.00690 -0.05284
75 9XX 0.81987 -0.10621 -0.10621 0.10788 -0.52477
76 9YY 0.81987 0.10788 -0.10621 -0.10621 -0.52477
77 9ZZ 1.21216 -0.10621 0.10788 -0.10621 -0.52477
78 9XY -0.26999 -0.31831 -0.61992 -0.31831 -0.02897
79 9XZ -0.19955 -0.61992 -0.31831 -0.31831 -0.02897
80 9YZ -0.19955 -0.31831 -0.31831 -0.61992 -0.02897
81 3 H 1S 0.76927 -0.20914 0.20914 -0.20914 -0.37320
82 2S -9.73193 1.20485 -1.20485 1.20485 4.08547
83 3S 1.89844 0.61140 -0.61140 0.61140 -1.87210
84 4S 0.05945 0.11974 -0.11974 0.11974 -0.19340
85 5PX -0.08460 -0.13763 0.13763 -0.19340 0.00268
86 5PY -0.08460 -0.19340 0.13763 -0.13763 0.00268
87 5PZ 0.20946 0.13763 -0.19340 0.13763 -0.00268
88 6PX -1.65188 1.34426 -1.34426 0.52842 0.72713
89 6PY -1.65188 0.52842 -1.34426 1.34426 0.72713
90 6PZ 1.83995 -1.34426 0.52842 -1.34426 -0.72713
91 7PX 0.39142 0.46849 -0.46849 0.33664 -0.52168
92 7PY 0.39142 0.33664 -0.46849 0.46849 -0.52168
93 7PZ 0.14583 -0.46849 0.33664 -0.46849 0.52168
94 8XX 0.20034 0.04341 -0.04341 -0.09499 -0.09194
95 8YY 0.20034 -0.09499 -0.04341 0.04341 -0.09194
96 8ZZ 0.20109 0.04341 0.09499 0.04341 -0.09194
97 8XY 0.15354 -0.01428 -0.00690 -0.01428 -0.05284
98 8XZ 0.11766 -0.00690 -0.01428 0.01428 0.05284
99 8YZ 0.11766 0.01428 -0.01428 -0.00690 0.05284
100 9XX 0.81987 0.10621 -0.10621 -0.10788 -0.52477
101 9YY 0.81987 -0.10788 -0.10621 0.10621 -0.52477
102 9ZZ 1.21216 0.10621 0.10788 0.10621 -0.52477
103 9XY -0.26999 0.31831 -0.61992 0.31831 -0.02897
104 9XZ 0.19955 -0.61992 0.31831 -0.31831 0.02897
105 9YZ 0.19955 -0.31831 0.31831 -0.61992 0.02897
106 4 H 1S -0.76927 0.20914 -0.20914 -0.20914 -0.37320
107 2S 9.73193 -1.20485 1.20485 1.20485 4.08547
108 3S -1.89844 -0.61140 0.61140 0.61140 -1.87210
109 4S -0.05945 -0.11974 0.11974 0.11974 -0.19340
110 5PX 0.08460 0.13763 -0.13763 -0.19340 0.00268
111 5PY -0.08460 -0.19340 0.13763 0.13763 -0.00268
112 5PZ 0.20946 0.13763 -0.19340 -0.13763 0.00268
113 6PX 1.65188 -1.34426 1.34426 0.52842 0.72713
114 6PY -1.65188 0.52842 -1.34426 -1.34426 -0.72713
115 6PZ 1.83995 -1.34426 0.52842 1.34426 0.72713
116 7PX -0.39142 -0.46849 0.46849 0.33664 -0.52168
117 7PY 0.39142 0.33664 -0.46849 -0.46849 0.52168
118 7PZ 0.14583 -0.46849 0.33664 0.46849 -0.52168
119 8XX -0.20034 -0.04341 0.04341 -0.09499 -0.09194
120 8YY -0.20034 0.09499 0.04341 0.04341 -0.09194
121 8ZZ -0.20109 -0.04341 -0.09499 0.04341 -0.09194
122 8XY 0.15354 -0.01428 -0.00690 0.01428 0.05284
123 8XZ 0.11766 -0.00690 -0.01428 -0.01428 -0.05284
124 8YZ -0.11766 -0.01428 0.01428 -0.00690 0.05284
125 9XX -0.81987 -0.10621 0.10621 -0.10788 -0.52477
126 9YY -0.81987 0.10788 0.10621 0.10621 -0.52477
127 9ZZ -1.21216 -0.10621 -0.10788 0.10621 -0.52477
128 9XY -0.26999 0.31831 -0.61992 -0.31831 0.02897
129 9XZ 0.19955 -0.61992 0.31831 0.31831 -0.02897
130 9YZ -0.19955 0.31831 -0.31831 -0.61992 0.02897
131 5 H 1S -0.76927 -0.20914 -0.20914 0.20914 -0.37320
132 2S 9.73193 1.20485 1.20485 -1.20485 4.08547
133 3S -1.89844 0.61140 0.61140 -0.61140 -1.87210
134 4S -0.05945 0.11974 0.11974 -0.11974 -0.19340
135 5PX -0.08460 0.13763 0.13763 -0.19340 -0.00268
136 5PY 0.08460 -0.19340 -0.13763 0.13763 0.00268
137 5PZ 0.20946 -0.13763 -0.19340 0.13763 0.00268
138 6PX -1.65188 -1.34426 -1.34426 0.52842 -0.72713
139 6PY 1.65188 0.52842 1.34426 -1.34426 0.72713
140 6PZ 1.83995 1.34426 0.52842 -1.34426 0.72713
141 7PX 0.39142 -0.46849 -0.46849 0.33664 0.52168
142 7PY -0.39142 0.33664 0.46849 -0.46849 -0.52168
143 7PZ 0.14583 0.46849 0.33664 -0.46849 -0.52168
144 8XX -0.20034 0.04341 0.04341 0.09499 -0.09194
145 8YY -0.20034 -0.09499 0.04341 -0.04341 -0.09194
146 8ZZ -0.20109 0.04341 -0.09499 -0.04341 -0.09194
147 8XY 0.15354 0.01428 -0.00690 -0.01428 0.05284
148 8XZ -0.11766 -0.00690 0.01428 -0.01428 0.05284
149 8YZ 0.11766 -0.01428 -0.01428 -0.00690 -0.05284
150 9XX -0.81987 0.10621 0.10621 0.10788 -0.52477
151 9YY -0.81987 -0.10788 0.10621 -0.10621 -0.52477
152 9ZZ -1.21216 0.10621 -0.10788 -0.10621 -0.52477
153 9XY -0.26999 -0.31831 -0.61992 0.31831 0.02897
154 9XZ -0.19955 -0.61992 -0.31831 0.31831 0.02897
155 9YZ 0.19955 0.31831 0.31831 -0.61992 -0.02897
111 112 113 114 115
(T1)--V (T1)--V (T1)--V (E)--V (E)--V
Eigenvalues -- 4.06828 4.06828 4.06828 4.11718 4.11718
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 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 10XX 0.00000 0.00000 0.00000 -0.04892 0.42027
19 10YY 0.00000 0.00000 0.00000 0.38842 -0.16776
20 10ZZ 0.00000 0.00000 0.00000 -0.33950 -0.25250
21 10XY 0.00000 0.00000 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 10YZ 0.00000 0.00000 0.00000 0.00000 0.00000
24 11XX 0.00000 0.00000 0.00000 0.12882 -1.10662
25 11YY 0.00000 0.00000 0.00000 -1.02278 0.44175
26 11ZZ 0.00000 0.00000 0.00000 0.89395 0.66488
27 11XY 0.00000 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000
29 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000
30 12XX 0.00000 0.00000 0.00000 -0.26555 2.28108
31 12YY 0.00000 0.00000 0.00000 2.10824 -0.91057
32 12ZZ 0.00000 0.00000 0.00000 -1.84270 -1.37051
33 12XY 0.00000 0.00000 0.00000 0.00000 0.00000
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35 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000
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41 13XXZ -0.13425 0.00000 0.00000 0.00000 0.00000
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43 13YZZ 0.00000 0.13425 0.00000 0.00000 0.00000
44 13YYZ 0.13425 0.00000 0.00000 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.00000 0.00000 0.00000 0.00000
47 14YYY 0.00000 0.00000 0.00000 0.00000 0.00000
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49 14XYY 0.00000 0.00000 -0.23710 0.00000 0.00000
50 14XXY 0.00000 -0.23710 0.00000 0.00000 0.00000
51 14XXZ -0.23710 0.00000 0.00000 0.00000 0.00000
52 14XZZ 0.00000 0.00000 0.23710 0.00000 0.00000
53 14YZZ 0.00000 0.23710 0.00000 0.00000 0.00000
54 14YYZ 0.23710 0.00000 0.00000 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
57 2S 0.00000 0.00000 0.00000 0.00000 0.00000
58 3S 0.00000 0.00000 0.00000 0.00000 0.00000
59 4S 0.00000 0.00000 0.00000 0.00000 0.00000
60 5PX -0.11199 -0.11199 0.00000 -0.01543 0.13253
61 5PY 0.11199 0.00000 -0.11199 0.12249 -0.05291
62 5PZ 0.00000 0.11199 0.11199 -0.10706 -0.07963
63 6PX 0.34867 0.34867 0.00000 -0.02093 0.17978
64 6PY -0.34867 0.00000 0.34867 0.16616 -0.07176
65 6PZ 0.00000 -0.34867 -0.34867 -0.14523 -0.10801
66 7PX 0.34842 0.34842 0.00000 0.09077 -0.77975
67 7PY -0.34842 0.00000 0.34842 -0.72067 0.31126
68 7PZ 0.00000 -0.34842 -0.34842 0.62990 0.46849
69 8XX -0.09249 -0.09249 0.00000 -0.04823 0.41431
70 8YY 0.09249 0.00000 -0.09249 0.38292 -0.16539
71 8ZZ 0.00000 0.09249 0.09249 -0.33469 -0.24892
72 8XY 0.00000 0.37302 0.37302 -0.22901 -0.17033
73 8XZ 0.37302 0.00000 -0.37302 0.26201 -0.11316
74 8YZ -0.37302 -0.37302 0.00000 -0.03300 0.28349
75 9XX -0.11819 -0.11819 0.00000 0.04499 -0.38645
76 9YY 0.11819 0.00000 -0.11819 -0.35717 0.15426
77 9ZZ 0.00000 0.11819 0.11819 0.31218 0.23218
78 9XY 0.00000 -0.31272 -0.31272 0.08358 0.06216
79 9XZ -0.31272 0.00000 0.31272 -0.09562 0.04130
80 9YZ 0.31272 0.31272 0.00000 0.01204 -0.10346
81 3 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
82 2S 0.00000 0.00000 0.00000 0.00000 0.00000
83 3S 0.00000 0.00000 0.00000 0.00000 0.00000
84 4S 0.00000 0.00000 0.00000 0.00000 0.00000
85 5PX 0.11199 -0.11199 0.00000 0.01543 -0.13253
86 5PY -0.11199 0.00000 -0.11199 -0.12249 0.05291
87 5PZ 0.00000 -0.11199 -0.11199 -0.10706 -0.07963
88 6PX -0.34867 0.34867 0.00000 0.02093 -0.17978
89 6PY 0.34867 0.00000 0.34867 -0.16616 0.07176
90 6PZ 0.00000 0.34867 0.34867 -0.14523 -0.10801
91 7PX -0.34842 0.34842 0.00000 -0.09077 0.77975
92 7PY 0.34842 0.00000 0.34842 0.72067 -0.31126
93 7PZ 0.00000 0.34842 0.34842 0.62990 0.46849
94 8XX -0.09249 0.09249 0.00000 -0.04823 0.41431
95 8YY 0.09249 0.00000 0.09249 0.38292 -0.16539
96 8ZZ 0.00000 -0.09249 -0.09249 -0.33469 -0.24892
97 8XY 0.00000 -0.37302 -0.37302 -0.22901 -0.17033
98 8XZ -0.37302 0.00000 -0.37302 -0.26201 0.11316
99 8YZ 0.37302 -0.37302 0.00000 0.03300 -0.28349
100 9XX -0.11819 0.11819 0.00000 0.04499 -0.38645
101 9YY 0.11819 0.00000 0.11819 -0.35717 0.15426
102 9ZZ 0.00000 -0.11819 -0.11819 0.31218 0.23218
103 9XY 0.00000 0.31272 0.31272 0.08358 0.06216
104 9XZ 0.31272 0.00000 0.31272 0.09562 -0.04130
105 9YZ -0.31272 0.31272 0.00000 -0.01204 0.10346
106 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
107 2S 0.00000 0.00000 0.00000 0.00000 0.00000
108 3S 0.00000 0.00000 0.00000 0.00000 0.00000
109 4S 0.00000 0.00000 0.00000 0.00000 0.00000
110 5PX -0.11199 0.11199 0.00000 0.01543 -0.13253
111 5PY -0.11199 0.00000 0.11199 0.12249 -0.05291
112 5PZ 0.00000 -0.11199 0.11199 0.10706 0.07963
113 6PX 0.34867 -0.34867 0.00000 0.02093 -0.17978
114 6PY 0.34867 0.00000 -0.34867 0.16616 -0.07176
115 6PZ 0.00000 0.34867 -0.34867 0.14523 0.10801
116 7PX 0.34842 -0.34842 0.00000 -0.09077 0.77975
117 7PY 0.34842 0.00000 -0.34842 -0.72067 0.31126
118 7PZ 0.00000 0.34842 -0.34842 -0.62990 -0.46849
119 8XX 0.09249 -0.09249 0.00000 -0.04823 0.41431
120 8YY -0.09249 0.00000 0.09249 0.38292 -0.16539
121 8ZZ 0.00000 0.09249 -0.09249 -0.33469 -0.24892
122 8XY 0.00000 -0.37302 0.37302 0.22901 0.17033
123 8XZ -0.37302 0.00000 0.37302 0.26201 -0.11316
124 8YZ -0.37302 0.37302 0.00000 0.03300 -0.28349
125 9XX 0.11819 -0.11819 0.00000 0.04499 -0.38645
126 9YY -0.11819 0.00000 0.11819 -0.35717 0.15426
127 9ZZ 0.00000 0.11819 -0.11819 0.31218 0.23218
128 9XY 0.00000 0.31272 -0.31272 -0.08358 -0.06216
129 9XZ 0.31272 0.00000 -0.31272 -0.09562 0.04130
130 9YZ 0.31272 -0.31272 0.00000 -0.01204 0.10346
131 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000
132 2S 0.00000 0.00000 0.00000 0.00000 0.00000
133 3S 0.00000 0.00000 0.00000 0.00000 0.00000
134 4S 0.00000 0.00000 0.00000 0.00000 0.00000
135 5PX 0.11199 0.11199 0.00000 -0.01543 0.13253
136 5PY 0.11199 0.00000 0.11199 -0.12249 0.05291
137 5PZ 0.00000 0.11199 -0.11199 0.10706 0.07963
138 6PX -0.34867 -0.34867 0.00000 -0.02093 0.17978
139 6PY -0.34867 0.00000 -0.34867 -0.16616 0.07176
140 6PZ 0.00000 -0.34867 0.34867 0.14523 0.10801
141 7PX -0.34842 -0.34842 0.00000 0.09077 -0.77975
142 7PY -0.34842 0.00000 -0.34842 0.72067 -0.31126
143 7PZ 0.00000 -0.34842 0.34842 -0.62990 -0.46849
144 8XX 0.09249 0.09249 0.00000 -0.04823 0.41431
145 8YY -0.09249 0.00000 -0.09249 0.38292 -0.16539
146 8ZZ 0.00000 -0.09249 0.09249 -0.33469 -0.24892
147 8XY 0.00000 0.37302 -0.37302 0.22901 0.17033
148 8XZ 0.37302 0.00000 0.37302 -0.26201 0.11316
149 8YZ 0.37302 0.37302 0.00000 -0.03300 0.28349
150 9XX 0.11819 0.11819 0.00000 0.04499 -0.38645
151 9YY -0.11819 0.00000 -0.11819 -0.35717 0.15426
152 9ZZ 0.00000 -0.11819 0.11819 0.31218 0.23218
153 9XY 0.00000 -0.31272 0.31272 -0.08358 -0.06216
154 9XZ -0.31272 0.00000 -0.31272 0.09562 -0.04130
155 9YZ -0.31272 -0.31272 0.00000 0.01204 -0.10346
116 117 118 119 120
(T2)--V (T2)--V (T2)--V (A1)--V (T2)--V
Eigenvalues -- 4.12720 4.12720 4.12720 4.28074 4.60015
1 1 C 1S 0.00000 0.00000 0.00000 0.07059 0.00000
2 2S 0.00000 0.00000 0.00000 0.71767 0.00000
3 3S 0.00000 0.00000 0.00000 -1.29597 0.00000
4 4S 0.00000 0.00000 0.00000 64.49873 0.00000
5 5S 0.00000 0.00000 0.00000 -2.27813 0.00000
6 6PX 0.00000 -0.42080 0.00000 0.00000 0.00000
7 6PY -0.42080 0.00000 0.00000 0.00000 0.11969
8 6PZ 0.00000 0.00000 -0.42080 0.00000 0.00000
9 7PX 0.00000 14.00770 0.00000 0.00000 0.00000
10 7PY 14.00770 0.00000 0.00000 0.00000 -3.33623
11 7PZ 0.00000 0.00000 14.00770 0.00000 0.00000
12 8PX 0.00000 -11.02401 0.00000 0.00000 0.00000
13 8PY -11.02401 0.00000 0.00000 0.00000 9.09962
14 8PZ 0.00000 0.00000 -11.02401 0.00000 0.00000
15 9PX 0.00000 -0.73984 0.00000 0.00000 0.00000
16 9PY -0.73984 0.00000 0.00000 0.00000 0.25497
17 9PZ 0.00000 0.00000 -0.73984 0.00000 0.00000
18 10XX 0.00000 0.00000 0.00000 -0.59652 0.00000
19 10YY 0.00000 0.00000 0.00000 -0.59652 0.00000
20 10ZZ 0.00000 0.00000 0.00000 -0.59652 0.00000
21 10XY 0.00000 0.00000 -0.26945 0.00000 0.00000
22 10XZ -0.26945 0.00000 0.00000 0.00000 0.03401
23 10YZ 0.00000 -0.26945 0.00000 0.00000 0.00000
24 11XX 0.00000 0.00000 0.00000 -1.13967 0.00000
25 11YY 0.00000 0.00000 0.00000 -1.13967 0.00000
26 11ZZ 0.00000 0.00000 0.00000 -1.13967 0.00000
27 11XY 0.00000 0.00000 11.89778 0.00000 0.00000
28 11XZ 11.89778 0.00000 0.00000 0.00000 -1.67461
29 11YZ 0.00000 11.89778 0.00000 0.00000 0.00000
30 12XX 0.00000 0.00000 0.00000 11.60704 0.00000
31 12YY 0.00000 0.00000 0.00000 11.60704 0.00000
32 12ZZ 0.00000 0.00000 0.00000 11.60704 0.00000
33 12XY 0.00000 0.00000 -0.22779 0.00000 0.00000
34 12XZ -0.22779 0.00000 0.00000 0.00000 1.99909
35 12YZ 0.00000 -0.22779 0.00000 0.00000 0.00000
36 13XXX 0.00000 0.24393 0.00000 0.00000 0.00000
37 13YYY 0.24393 0.00000 0.00000 0.00000 -0.68238
38 13ZZZ 0.00000 0.00000 0.24393 0.00000 0.00000
39 13XYY 0.00000 1.45438 0.00000 0.00000 0.00000
40 13XXY 1.45438 0.00000 0.00000 0.00000 0.28109
41 13XXZ 0.00000 0.00000 1.45438 0.00000 0.00000
42 13XZZ 0.00000 1.45438 0.00000 0.00000 0.00000
43 13YZZ 1.45438 0.00000 0.00000 0.00000 0.28109
44 13YYZ 0.00000 0.00000 1.45438 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 -0.70956 0.00000
46 14XXX 0.00000 5.01900 0.00000 0.00000 0.00000
47 14YYY 5.01900 0.00000 0.00000 0.00000 -3.08583
48 14ZZZ 0.00000 0.00000 5.01900 0.00000 0.00000
49 14XYY 0.00000 4.37677 0.00000 0.00000 0.00000
50 14XXY 4.37677 0.00000 0.00000 0.00000 -2.06934
51 14XXZ 0.00000 0.00000 4.37677 0.00000 0.00000
52 14XZZ 0.00000 4.37677 0.00000 0.00000 0.00000
53 14YZZ 4.37677 0.00000 0.00000 0.00000 -2.06934
54 14YYZ 0.00000 0.00000 4.37677 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.84050 0.00000
56 2 H 1S -0.34226 -0.34226 -0.34226 1.01598 -0.25258
57 2S -13.13267 -13.13267 -13.13267 0.58026 2.83609
58 3S 4.67055 4.67055 4.67055 -26.88673 -5.98860
59 4S 0.31729 0.31729 0.31729 0.05342 -0.19572
60 5PX 0.00972 0.04764 0.00972 0.15059 0.07359
61 5PY 0.04764 0.00972 0.00972 0.15059 -0.19368
62 5PZ 0.00972 0.00972 0.04764 0.15059 0.07359
63 6PX 2.68131 3.74463 2.68131 -0.22538 -0.42528
64 6PY 3.74463 2.68131 2.68131 -0.22538 0.06796
65 6PZ 2.68131 2.68131 3.74463 -0.22538 -0.42528
66 7PX -0.68766 0.29853 -0.68766 2.85186 0.55537
67 7PY 0.29853 -0.68766 -0.68766 2.85186 0.99122
68 7PZ -0.68766 -0.68766 0.29853 2.85186 0.55537
69 8XX -0.19474 -0.33524 -0.19474 0.37441 -0.32074
70 8YY -0.33524 -0.19474 -0.19474 0.37441 0.33383
71 8ZZ -0.19474 -0.19474 -0.33524 0.37441 -0.32074
72 8XY -0.16709 -0.16709 -0.35484 0.24928 -0.23829
73 8XZ -0.35484 -0.16709 -0.16709 0.24928 0.19056
74 8YZ -0.16709 -0.35484 -0.16709 0.24928 -0.23829
75 9XX -0.04623 -0.46733 -0.04623 2.12116 -0.03894
76 9YY -0.46733 -0.04623 -0.04623 2.12116 -0.66991
77 9ZZ -0.04623 -0.04623 -0.46733 2.12116 -0.03894
78 9XY -0.26720 -0.26720 -0.03252 -0.19506 -0.02735
79 9XZ -0.03252 -0.26720 -0.26720 -0.19506 -0.09684
80 9YZ -0.26720 -0.03252 -0.26720 -0.19506 -0.02735
81 3 H 1S 0.34226 0.34226 -0.34226 1.01598 0.25258
82 2S 13.13267 13.13267 -13.13267 0.58026 -2.83609
83 3S -4.67055 -4.67055 4.67055 -26.88673 5.98860
84 4S -0.31729 -0.31729 0.31729 0.05342 0.19572
85 5PX 0.00972 0.04764 -0.00972 -0.15059 0.07359
86 5PY 0.04764 0.00972 -0.00972 -0.15059 -0.19368
87 5PZ -0.00972 -0.00972 0.04764 0.15059 -0.07359
88 6PX 2.68131 3.74463 -2.68131 0.22538 -0.42528
89 6PY 3.74463 2.68131 -2.68131 0.22538 0.06796
90 6PZ -2.68131 -2.68131 3.74463 -0.22538 0.42528
91 7PX -0.68766 0.29853 0.68766 -2.85186 0.55537
92 7PY 0.29853 -0.68766 0.68766 -2.85186 0.99122
93 7PZ 0.68766 0.68766 0.29853 2.85186 -0.55537
94 8XX 0.19474 0.33524 -0.19474 0.37441 0.32074
95 8YY 0.33524 0.19474 -0.19474 0.37441 -0.33383
96 8ZZ 0.19474 0.19474 -0.33524 0.37441 0.32074
97 8XY 0.16709 0.16709 -0.35484 0.24928 0.23829
98 8XZ -0.35484 -0.16709 0.16709 -0.24928 0.19056
99 8YZ -0.16709 -0.35484 0.16709 -0.24928 -0.23829
100 9XX 0.04623 0.46733 -0.04623 2.12116 0.03894
101 9YY 0.46733 0.04623 -0.04623 2.12116 0.66991
102 9ZZ 0.04623 0.04623 -0.46733 2.12116 0.03894
103 9XY 0.26720 0.26720 -0.03252 -0.19506 0.02735
104 9XZ -0.03252 -0.26720 0.26720 0.19506 -0.09684
105 9YZ -0.26720 -0.03252 0.26720 0.19506 -0.02735
106 4 H 1S -0.34226 0.34226 0.34226 1.01598 -0.25258
107 2S -13.13267 13.13267 13.13267 0.58026 2.83609
108 3S 4.67055 -4.67055 -4.67055 -26.88673 -5.98860
109 4S 0.31729 -0.31729 -0.31729 0.05342 -0.19572
110 5PX -0.00972 0.04764 0.00972 -0.15059 -0.07359
111 5PY 0.04764 -0.00972 -0.00972 0.15059 -0.19368
112 5PZ -0.00972 0.00972 0.04764 -0.15059 -0.07359
113 6PX -2.68131 3.74463 2.68131 0.22538 0.42528
114 6PY 3.74463 -2.68131 -2.68131 -0.22538 0.06796
115 6PZ -2.68131 2.68131 3.74463 0.22538 0.42528
116 7PX 0.68766 0.29853 -0.68766 -2.85186 -0.55537
117 7PY 0.29853 0.68766 0.68766 2.85186 0.99122
118 7PZ 0.68766 -0.68766 0.29853 -2.85186 -0.55537
119 8XX -0.19474 0.33524 0.19474 0.37441 -0.32074
120 8YY -0.33524 0.19474 0.19474 0.37441 0.33383
121 8ZZ -0.19474 0.19474 0.33524 0.37441 -0.32074
122 8XY 0.16709 -0.16709 -0.35484 -0.24928 0.23829
123 8XZ -0.35484 0.16709 0.16709 0.24928 0.19056
124 8YZ 0.16709 -0.35484 -0.16709 -0.24928 0.23829
125 9XX -0.04623 0.46733 0.04623 2.12116 -0.03894
126 9YY -0.46733 0.04623 0.04623 2.12116 -0.66991
127 9ZZ -0.04623 0.04623 0.46733 2.12116 -0.03894
128 9XY 0.26720 -0.26720 -0.03252 0.19506 0.02735
129 9XZ -0.03252 0.26720 0.26720 -0.19506 -0.09684
130 9YZ 0.26720 -0.03252 -0.26720 0.19506 0.02735
131 5 H 1S 0.34226 -0.34226 0.34226 1.01598 0.25258
132 2S 13.13267 -13.13267 13.13267 0.58026 -2.83609
133 3S -4.67055 4.67055 -4.67055 -26.88673 5.98860
134 4S -0.31729 0.31729 -0.31729 0.05342 0.19572
135 5PX -0.00972 0.04764 -0.00972 0.15059 -0.07359
136 5PY 0.04764 -0.00972 0.00972 -0.15059 -0.19368
137 5PZ 0.00972 -0.00972 0.04764 -0.15059 0.07359
138 6PX -2.68131 3.74463 -2.68131 -0.22538 0.42528
139 6PY 3.74463 -2.68131 2.68131 0.22538 0.06796
140 6PZ 2.68131 -2.68131 3.74463 0.22538 -0.42528
141 7PX 0.68766 0.29853 0.68766 2.85186 -0.55537
142 7PY 0.29853 0.68766 -0.68766 -2.85186 0.99122
143 7PZ -0.68766 0.68766 0.29853 -2.85186 0.55537
144 8XX 0.19474 -0.33524 0.19474 0.37441 0.32074
145 8YY 0.33524 -0.19474 0.19474 0.37441 -0.33383
146 8ZZ 0.19474 -0.19474 0.33524 0.37441 0.32074
147 8XY -0.16709 0.16709 -0.35484 -0.24928 -0.23829
148 8XZ -0.35484 0.16709 -0.16709 -0.24928 0.19056
149 8YZ 0.16709 -0.35484 0.16709 0.24928 0.23829
150 9XX 0.04623 -0.46733 0.04623 2.12116 0.03894
151 9YY 0.46733 -0.04623 0.04623 2.12116 0.66991
152 9ZZ 0.04623 -0.04623 0.46733 2.12116 0.03894
153 9XY -0.26720 0.26720 -0.03252 0.19506 -0.02735
154 9XZ -0.03252 0.26720 -0.26720 0.19506 -0.09684
155 9YZ 0.26720 -0.03252 0.26720 -0.19506 0.02735
121 122 123 124 125
(T2)--V (T2)--V (E)--V (E)--V (T1)--V
Eigenvalues -- 4.60015 4.60015 4.75846 4.75846 4.85681
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.11969 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 0.00000 0.00000 0.00000
8 6PZ 0.11969 0.00000 0.00000 0.00000 0.00000
9 7PX 0.00000 -3.33623 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
11 7PZ -3.33623 0.00000 0.00000 0.00000 0.00000
12 8PX 0.00000 9.09962 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
14 8PZ 9.09962 0.00000 0.00000 0.00000 0.00000
15 9PX 0.00000 0.25497 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
17 9PZ 0.25497 0.00000 0.00000 0.00000 0.00000
18 10XX 0.00000 0.00000 0.02751 -0.73637 0.00000
19 10YY 0.00000 0.00000 -0.65147 0.34436 0.00000
20 10ZZ 0.00000 0.00000 0.62396 0.39201 0.00000
21 10XY 0.03401 0.00000 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 10YZ 0.00000 0.03401 0.00000 0.00000 0.00000
24 11XX 0.00000 0.00000 -0.15689 4.19944 0.00000
25 11YY 0.00000 0.00000 3.71527 -1.96385 0.00000
26 11ZZ 0.00000 0.00000 -3.55838 -2.23559 0.00000
27 11XY -1.67461 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000
29 11YZ 0.00000 -1.67461 0.00000 0.00000 0.00000
30 12XX 0.00000 0.00000 -0.08387 2.24502 0.00000
31 12YY 0.00000 0.00000 1.98618 -1.04987 0.00000
32 12ZZ 0.00000 0.00000 -1.90231 -1.19514 0.00000
33 12XY 1.99909 0.00000 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000
35 12YZ 0.00000 1.99909 0.00000 0.00000 0.00000
36 13XXX 0.00000 -0.68238 0.00000 0.00000 0.00000
37 13YYY 0.00000 0.00000 0.00000 0.00000 0.00000
38 13ZZZ -0.68238 0.00000 0.00000 0.00000 0.00000
39 13XYY 0.00000 0.28109 0.00000 0.00000 -0.66715
40 13XXY 0.00000 0.00000 0.00000 0.00000 0.00000
41 13XXZ 0.28109 0.00000 0.00000 0.00000 0.00000
42 13XZZ 0.00000 0.28109 0.00000 0.00000 0.66715
43 13YZZ 0.00000 0.00000 0.00000 0.00000 0.00000
44 13YYZ 0.28109 0.00000 0.00000 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 -3.08583 0.00000 0.00000 0.00000
47 14YYY 0.00000 0.00000 0.00000 0.00000 0.00000
48 14ZZZ -3.08583 0.00000 0.00000 0.00000 0.00000
49 14XYY 0.00000 -2.06934 0.00000 0.00000 -1.29719
50 14XXY 0.00000 0.00000 0.00000 0.00000 0.00000
51 14XXZ -2.06934 0.00000 0.00000 0.00000 0.00000
52 14XZZ 0.00000 -2.06934 0.00000 0.00000 1.29719
53 14YZZ 0.00000 0.00000 0.00000 0.00000 0.00000
54 14YYZ -2.06934 0.00000 0.00000 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S -0.25258 -0.25258 0.00000 0.00000 0.00000
57 2S 2.83609 2.83609 0.00000 0.00000 0.00000
58 3S -5.98860 -5.98860 0.00000 0.00000 0.00000
59 4S -0.19572 -0.19572 0.00000 0.00000 0.00000
60 5PX 0.07359 -0.19368 -0.02059 0.55116 0.00000
61 5PY 0.07359 0.07359 0.48762 -0.25775 -0.33516
62 5PZ -0.19368 0.07359 -0.46703 -0.29341 0.33516
63 6PX -0.42528 0.06796 0.06371 -1.70520 0.00000
64 6PY -0.42528 -0.42528 -1.50860 0.79743 1.30627
65 6PZ 0.06796 -0.42528 1.44490 0.90777 -1.30627
66 7PX 0.55537 0.99122 0.04074 -1.09044 0.00000
67 7PY 0.55537 0.55537 -0.96471 0.50994 0.23079
68 7PZ 0.99122 0.55537 0.92398 0.58050 -0.23079
69 8XX -0.32074 0.33383 -0.00206 0.05517 0.00000
70 8YY -0.32074 -0.32074 0.04881 -0.02580 -0.52172
71 8ZZ 0.33383 -0.32074 -0.04675 -0.02937 0.52172
72 8XY 0.19056 -0.23829 0.13596 0.08542 -0.16988
73 8XZ -0.23829 -0.23829 -0.14195 0.07503 0.16988
74 8YZ -0.23829 0.19056 0.00599 -0.16045 0.00000
75 9XX -0.03894 -0.66991 -0.02097 0.56144 0.00000
76 9YY -0.03894 -0.03894 0.49671 -0.26255 -0.36226
77 9ZZ -0.66991 -0.03894 -0.47573 -0.29888 0.36226
78 9XY -0.09684 -0.02735 0.35255 0.22149 -0.11936
79 9XZ -0.02735 -0.02735 -0.36809 0.19457 0.11936
80 9YZ -0.02735 -0.09684 0.01554 -0.41606 0.00000
81 3 H 1S -0.25258 0.25258 0.00000 0.00000 0.00000
82 2S 2.83609 -2.83609 0.00000 0.00000 0.00000
83 3S -5.98860 5.98860 0.00000 0.00000 0.00000
84 4S -0.19572 0.19572 0.00000 0.00000 0.00000
85 5PX -0.07359 -0.19368 0.02059 -0.55116 0.00000
86 5PY -0.07359 0.07359 -0.48762 0.25775 -0.33516
87 5PZ -0.19368 -0.07359 -0.46703 -0.29341 -0.33516
88 6PX 0.42528 0.06796 -0.06371 1.70520 0.00000
89 6PY 0.42528 -0.42528 1.50860 -0.79743 1.30627
90 6PZ 0.06796 0.42528 1.44490 0.90777 1.30627
91 7PX -0.55537 0.99122 -0.04074 1.09044 0.00000
92 7PY -0.55537 0.55537 0.96471 -0.50994 0.23079
93 7PZ 0.99122 -0.55537 0.92398 0.58050 0.23079
94 8XX -0.32074 -0.33383 -0.00206 0.05517 0.00000
95 8YY -0.32074 0.32074 0.04881 -0.02580 0.52172
96 8ZZ 0.33383 0.32074 -0.04675 -0.02937 -0.52172
97 8XY 0.19056 0.23829 0.13596 0.08542 0.16988
98 8XZ 0.23829 -0.23829 0.14195 -0.07503 0.16988
99 8YZ 0.23829 0.19056 -0.00599 0.16045 0.00000
100 9XX -0.03894 0.66991 -0.02097 0.56144 0.00000
101 9YY -0.03894 0.03894 0.49671 -0.26255 0.36226
102 9ZZ -0.66991 0.03894 -0.47573 -0.29888 -0.36226
103 9XY -0.09684 0.02735 0.35255 0.22149 0.11936
104 9XZ 0.02735 -0.02735 0.36809 -0.19457 0.11936
105 9YZ 0.02735 -0.09684 -0.01554 0.41606 0.00000
106 4 H 1S 0.25258 0.25258 0.00000 0.00000 0.00000
107 2S -2.83609 -2.83609 0.00000 0.00000 0.00000
108 3S 5.98860 5.98860 0.00000 0.00000 0.00000
109 4S 0.19572 0.19572 0.00000 0.00000 0.00000
110 5PX 0.07359 -0.19368 0.02059 -0.55116 0.00000
111 5PY -0.07359 -0.07359 0.48762 -0.25775 0.33516
112 5PZ -0.19368 0.07359 0.46703 0.29341 0.33516
113 6PX -0.42528 0.06796 -0.06371 1.70520 0.00000
114 6PY 0.42528 0.42528 -1.50860 0.79743 -1.30627
115 6PZ 0.06796 -0.42528 -1.44490 -0.90777 -1.30627
116 7PX 0.55537 0.99122 -0.04074 1.09044 0.00000
117 7PY -0.55537 -0.55537 -0.96471 0.50994 -0.23079
118 7PZ 0.99122 0.55537 -0.92398 -0.58050 -0.23079
119 8XX 0.32074 -0.33383 -0.00206 0.05517 0.00000
120 8YY 0.32074 0.32074 0.04881 -0.02580 0.52172
121 8ZZ -0.33383 0.32074 -0.04675 -0.02937 -0.52172
122 8XY 0.19056 -0.23829 -0.13596 -0.08542 -0.16988
123 8XZ 0.23829 0.23829 -0.14195 0.07503 -0.16988
124 8YZ -0.23829 0.19056 -0.00599 0.16045 0.00000
125 9XX 0.03894 0.66991 -0.02097 0.56144 0.00000
126 9YY 0.03894 0.03894 0.49671 -0.26255 0.36226
127 9ZZ 0.66991 0.03894 -0.47573 -0.29888 -0.36226
128 9XY -0.09684 -0.02735 -0.35255 -0.22149 -0.11936
129 9XZ 0.02735 0.02735 -0.36809 0.19457 -0.11936
130 9YZ -0.02735 -0.09684 -0.01554 0.41606 0.00000
131 5 H 1S 0.25258 -0.25258 0.00000 0.00000 0.00000
132 2S -2.83609 2.83609 0.00000 0.00000 0.00000
133 3S 5.98860 -5.98860 0.00000 0.00000 0.00000
134 4S 0.19572 -0.19572 0.00000 0.00000 0.00000
135 5PX -0.07359 -0.19368 -0.02059 0.55116 0.00000
136 5PY 0.07359 -0.07359 -0.48762 0.25775 0.33516
137 5PZ -0.19368 -0.07359 0.46703 0.29341 -0.33516
138 6PX 0.42528 0.06796 0.06371 -1.70520 0.00000
139 6PY -0.42528 0.42528 1.50860 -0.79743 -1.30627
140 6PZ 0.06796 0.42528 -1.44490 -0.90777 1.30627
141 7PX -0.55537 0.99122 0.04074 -1.09044 0.00000
142 7PY 0.55537 -0.55537 0.96471 -0.50994 -0.23079
143 7PZ 0.99122 -0.55537 -0.92398 -0.58050 0.23079
144 8XX 0.32074 0.33383 -0.00206 0.05517 0.00000
145 8YY 0.32074 -0.32074 0.04881 -0.02580 -0.52172
146 8ZZ -0.33383 -0.32074 -0.04675 -0.02937 0.52172
147 8XY 0.19056 0.23829 -0.13596 -0.08542 0.16988
148 8XZ -0.23829 0.23829 0.14195 -0.07503 -0.16988
149 8YZ 0.23829 0.19056 0.00599 -0.16045 0.00000
150 9XX 0.03894 -0.66991 -0.02097 0.56144 0.00000
151 9YY 0.03894 -0.03894 0.49671 -0.26255 -0.36226
152 9ZZ 0.66991 -0.03894 -0.47573 -0.29888 0.36226
153 9XY -0.09684 0.02735 -0.35255 -0.22149 0.11936
154 9XZ -0.02735 0.02735 0.36809 -0.19457 -0.11936
155 9YZ 0.02735 -0.09684 0.01554 -0.41606 0.00000
126 127 128 129 130
(T1)--V (T1)--V (T2)--V (T2)--V (T2)--V
Eigenvalues -- 4.85681 4.85681 4.94539 4.94539 4.94539
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.00000 0.23310 0.00000
7 6PY 0.00000 0.00000 0.23310 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 0.00000 0.23310
9 7PX 0.00000 0.00000 0.00000 2.92903 0.00000
10 7PY 0.00000 0.00000 2.92903 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 0.00000 2.92903
12 8PX 0.00000 0.00000 0.00000 -4.41998 0.00000
13 8PY 0.00000 0.00000 -4.41998 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 0.00000 -4.41998
15 9PX 0.00000 0.00000 0.00000 0.18673 0.00000
16 9PY 0.00000 0.00000 0.18673 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 0.00000 0.18673
18 10XX 0.00000 0.00000 0.00000 0.00000 0.00000
19 10YY 0.00000 0.00000 0.00000 0.00000 0.00000
20 10ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
21 10XY 0.00000 0.00000 0.00000 0.00000 0.23482
22 10XZ 0.00000 0.00000 0.23482 0.00000 0.00000
23 10YZ 0.00000 0.00000 0.00000 0.23482 0.00000
24 11XX 0.00000 0.00000 0.00000 0.00000 0.00000
25 11YY 0.00000 0.00000 0.00000 0.00000 0.00000
26 11ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
27 11XY 0.00000 0.00000 0.00000 0.00000 -1.97003
28 11XZ 0.00000 0.00000 -1.97003 0.00000 0.00000
29 11YZ 0.00000 0.00000 0.00000 -1.97003 0.00000
30 12XX 0.00000 0.00000 0.00000 0.00000 0.00000
31 12YY 0.00000 0.00000 0.00000 0.00000 0.00000
32 12ZZ 0.00000 0.00000 0.00000 0.00000 0.00000
33 12XY 0.00000 0.00000 0.00000 0.00000 -0.70135
34 12XZ 0.00000 0.00000 -0.70135 0.00000 0.00000
35 12YZ 0.00000 0.00000 0.00000 -0.70135 0.00000
36 13XXX 0.00000 0.00000 0.00000 -0.97669 0.00000
37 13YYY 0.00000 0.00000 -0.97669 0.00000 0.00000
38 13ZZZ 0.00000 0.00000 0.00000 0.00000 -0.97669
39 13XYY 0.00000 0.00000 0.00000 -0.09504 0.00000
40 13XXY -0.66715 0.00000 -0.09504 0.00000 0.00000
41 13XXZ 0.00000 -0.66715 0.00000 0.00000 -0.09504
42 13XZZ 0.00000 0.00000 0.00000 -0.09504 0.00000
43 13YZZ 0.66715 0.00000 -0.09504 0.00000 0.00000
44 13YYZ 0.00000 0.66715 0.00000 0.00000 -0.09504
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.00000 0.00000 3.94133 0.00000
47 14YYY 0.00000 0.00000 3.94133 0.00000 0.00000
48 14ZZZ 0.00000 0.00000 0.00000 0.00000 3.94133
49 14XYY 0.00000 0.00000 0.00000 0.22553 0.00000
50 14XXY -1.29719 0.00000 0.22553 0.00000 0.00000
51 14XXZ 0.00000 -1.29719 0.00000 0.00000 0.22553
52 14XZZ 0.00000 0.00000 0.00000 0.22553 0.00000
53 14YZZ 1.29719 0.00000 0.22553 0.00000 0.00000
54 14YYZ 0.00000 1.29719 0.00000 0.00000 0.22553
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S 0.00000 0.00000 0.00800 0.00800 0.00800
57 2S 0.00000 0.00000 0.18058 0.18058 0.18058
58 3S 0.00000 0.00000 6.53711 6.53711 6.53711
59 4S 0.00000 0.00000 -0.12151 -0.12151 -0.12151
60 5PX -0.33516 -0.33516 -0.42118 0.40550 -0.42118
61 5PY 0.00000 0.33516 0.40550 -0.42118 -0.42118
62 5PZ 0.33516 0.00000 -0.42118 -0.42118 0.40550
63 6PX 1.30627 1.30627 0.80485 -1.26294 0.80485
64 6PY 0.00000 -1.30627 -1.26294 0.80485 0.80485
65 6PZ -1.30627 0.00000 0.80485 0.80485 -1.26294
66 7PX 0.23079 0.23079 -0.67570 -1.54629 -0.67570
67 7PY 0.00000 -0.23079 -1.54629 -0.67570 -0.67570
68 7PZ -0.23079 0.00000 -0.67570 -0.67570 -1.54629
69 8XX -0.52172 -0.52172 -0.24256 -0.21295 -0.24256
70 8YY 0.00000 0.52172 -0.21295 -0.24256 -0.24256
71 8ZZ 0.52172 0.00000 -0.24256 -0.24256 -0.21295
72 8XY -0.16988 0.00000 -0.13669 -0.13669 0.02605
73 8XZ 0.00000 -0.16988 0.02605 -0.13669 -0.13669
74 8YZ 0.16988 0.16988 -0.13669 0.02605 -0.13669
75 9XX -0.36226 -0.36226 -0.85040 -0.31326 -0.85040
76 9YY 0.00000 0.36226 -0.31326 -0.85040 -0.85040
77 9ZZ 0.36226 0.00000 -0.85040 -0.85040 -0.31326
78 9XY -0.11936 0.00000 0.37962 0.37962 -0.34592
79 9XZ 0.00000 -0.11936 -0.34592 0.37962 0.37962
80 9YZ 0.11936 0.11936 0.37962 -0.34592 0.37962
81 3 H 1S 0.00000 0.00000 -0.00800 -0.00800 0.00800
82 2S 0.00000 0.00000 -0.18058 -0.18058 0.18058
83 3S 0.00000 0.00000 -6.53711 -6.53711 6.53711
84 4S 0.00000 0.00000 0.12151 0.12151 -0.12151
85 5PX -0.33516 0.33516 -0.42118 0.40550 0.42118
86 5PY 0.00000 -0.33516 0.40550 -0.42118 0.42118
87 5PZ -0.33516 0.00000 0.42118 0.42118 0.40550
88 6PX 1.30627 -1.30627 0.80485 -1.26294 -0.80485
89 6PY 0.00000 1.30627 -1.26294 0.80485 -0.80485
90 6PZ 1.30627 0.00000 -0.80485 -0.80485 -1.26294
91 7PX 0.23079 -0.23079 -0.67570 -1.54629 0.67570
92 7PY 0.00000 0.23079 -1.54629 -0.67570 0.67570
93 7PZ 0.23079 0.00000 0.67570 0.67570 -1.54629
94 8XX 0.52172 -0.52172 0.24256 0.21295 -0.24256
95 8YY 0.00000 0.52172 0.21295 0.24256 -0.24256
96 8ZZ -0.52172 0.00000 0.24256 0.24256 -0.21295
97 8XY 0.16988 0.00000 0.13669 0.13669 0.02605
98 8XZ 0.00000 0.16988 0.02605 -0.13669 0.13669
99 8YZ 0.16988 -0.16988 -0.13669 0.02605 0.13669
100 9XX 0.36226 -0.36226 0.85040 0.31326 -0.85040
101 9YY 0.00000 0.36226 0.31326 0.85040 -0.85040
102 9ZZ -0.36226 0.00000 0.85040 0.85040 -0.31326
103 9XY 0.11936 0.00000 -0.37962 -0.37962 -0.34592
104 9XZ 0.00000 0.11936 -0.34592 0.37962 -0.37962
105 9YZ 0.11936 -0.11936 0.37962 -0.34592 -0.37962
106 4 H 1S 0.00000 0.00000 0.00800 -0.00800 -0.00800
107 2S 0.00000 0.00000 0.18058 -0.18058 -0.18058
108 3S 0.00000 0.00000 6.53711 -6.53711 -6.53711
109 4S 0.00000 0.00000 -0.12151 0.12151 0.12151
110 5PX 0.33516 -0.33516 0.42118 0.40550 -0.42118
111 5PY 0.00000 -0.33516 0.40550 0.42118 0.42118
112 5PZ -0.33516 0.00000 0.42118 -0.42118 0.40550
113 6PX -1.30627 1.30627 -0.80485 -1.26294 0.80485
114 6PY 0.00000 1.30627 -1.26294 -0.80485 -0.80485
115 6PZ 1.30627 0.00000 -0.80485 0.80485 -1.26294
116 7PX -0.23079 0.23079 0.67570 -1.54629 -0.67570
117 7PY 0.00000 0.23079 -1.54629 0.67570 0.67570
118 7PZ 0.23079 0.00000 0.67570 -0.67570 -1.54629
119 8XX -0.52172 0.52172 -0.24256 0.21295 0.24256
120 8YY 0.00000 -0.52172 -0.21295 0.24256 0.24256
121 8ZZ 0.52172 0.00000 -0.24256 0.24256 0.21295
122 8XY 0.16988 0.00000 0.13669 -0.13669 0.02605
123 8XZ 0.00000 0.16988 0.02605 0.13669 0.13669
124 8YZ -0.16988 0.16988 0.13669 0.02605 -0.13669
125 9XX -0.36226 0.36226 -0.85040 0.31326 0.85040
126 9YY 0.00000 -0.36226 -0.31326 0.85040 0.85040
127 9ZZ 0.36226 0.00000 -0.85040 0.85040 0.31326
128 9XY 0.11936 0.00000 -0.37962 0.37962 -0.34592
129 9XZ 0.00000 0.11936 -0.34592 -0.37962 -0.37962
130 9YZ -0.11936 0.11936 -0.37962 -0.34592 0.37962
131 5 H 1S 0.00000 0.00000 -0.00800 0.00800 -0.00800
132 2S 0.00000 0.00000 -0.18058 0.18058 -0.18058
133 3S 0.00000 0.00000 -6.53711 6.53711 -6.53711
134 4S 0.00000 0.00000 0.12151 -0.12151 0.12151
135 5PX 0.33516 0.33516 0.42118 0.40550 0.42118
136 5PY 0.00000 0.33516 0.40550 0.42118 -0.42118
137 5PZ 0.33516 0.00000 -0.42118 0.42118 0.40550
138 6PX -1.30627 -1.30627 -0.80485 -1.26294 -0.80485
139 6PY 0.00000 -1.30627 -1.26294 -0.80485 0.80485
140 6PZ -1.30627 0.00000 0.80485 -0.80485 -1.26294
141 7PX -0.23079 -0.23079 0.67570 -1.54629 0.67570
142 7PY 0.00000 -0.23079 -1.54629 0.67570 -0.67570
143 7PZ -0.23079 0.00000 -0.67570 0.67570 -1.54629
144 8XX 0.52172 0.52172 0.24256 -0.21295 0.24256
145 8YY 0.00000 -0.52172 0.21295 -0.24256 0.24256
146 8ZZ -0.52172 0.00000 0.24256 -0.24256 0.21295
147 8XY -0.16988 0.00000 -0.13669 0.13669 0.02605
148 8XZ 0.00000 -0.16988 0.02605 0.13669 -0.13669
149 8YZ -0.16988 -0.16988 0.13669 0.02605 0.13669
150 9XX 0.36226 0.36226 0.85040 -0.31326 0.85040
151 9YY 0.00000 -0.36226 0.31326 -0.85040 0.85040
152 9ZZ -0.36226 0.00000 0.85040 -0.85040 0.31326
153 9XY -0.11936 0.00000 0.37962 -0.37962 -0.34592
154 9XZ 0.00000 -0.11936 -0.34592 -0.37962 0.37962
155 9YZ -0.11936 -0.11936 -0.37962 -0.34592 -0.37962
131 132 133 134 135
(T2)--V (T2)--V (T2)--V (A1)--V (T1)--V
Eigenvalues -- 5.15556 5.15556 5.15556 5.23089 5.63617
1 1 C 1S 0.00000 0.00000 0.00000 -0.23244 0.00000
2 2S 0.00000 0.00000 0.00000 -0.07008 0.00000
3 3S 0.00000 0.00000 0.00000 -0.58099 0.00000
4 4S 0.00000 0.00000 0.00000 23.61549 0.00000
5 5S 0.00000 0.00000 0.00000 3.06073 0.00000
6 6PX -0.18788 0.00000 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 -0.18788 0.00000 0.00000
8 6PZ 0.00000 -0.18788 0.00000 0.00000 0.00000
9 7PX -2.66275 0.00000 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 -2.66275 0.00000 0.00000
11 7PZ 0.00000 -2.66275 0.00000 0.00000 0.00000
12 8PX 5.46363 0.00000 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 5.46363 0.00000 0.00000
14 8PZ 0.00000 5.46363 0.00000 0.00000 0.00000
15 9PX 0.59748 0.00000 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 0.59748 0.00000 0.00000
17 9PZ 0.00000 0.59748 0.00000 0.00000 0.00000
18 10XX 0.00000 0.00000 0.00000 0.04662 0.00000
19 10YY 0.00000 0.00000 0.00000 0.04662 0.00000
20 10ZZ 0.00000 0.00000 0.00000 0.04662 0.00000
21 10XY 0.00000 -0.17290 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 -0.17290 0.00000 0.00000
23 10YZ -0.17290 0.00000 0.00000 0.00000 0.00000
24 11XX 0.00000 0.00000 0.00000 -1.25573 0.00000
25 11YY 0.00000 0.00000 0.00000 -1.25573 0.00000
26 11ZZ 0.00000 0.00000 0.00000 -1.25573 0.00000
27 11XY 0.00000 -4.48008 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 -4.48008 0.00000 0.00000
29 11YZ -4.48008 0.00000 0.00000 0.00000 0.00000
30 12XX 0.00000 0.00000 0.00000 1.44797 0.00000
31 12YY 0.00000 0.00000 0.00000 1.44797 0.00000
32 12ZZ 0.00000 0.00000 0.00000 1.44797 0.00000
33 12XY 0.00000 0.68676 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.68676 0.00000 0.00000
35 12YZ 0.68676 0.00000 0.00000 0.00000 0.00000
36 13XXX 0.47506 0.00000 0.00000 0.00000 0.00000
37 13YYY 0.00000 0.00000 0.47506 0.00000 0.00000
38 13ZZZ 0.00000 0.47506 0.00000 0.00000 0.00000
39 13XYY 0.03034 0.00000 0.00000 0.00000 0.00000
40 13XXY 0.00000 0.00000 0.03034 0.00000 1.38921
41 13XXZ 0.00000 0.03034 0.00000 0.00000 0.00000
42 13XZZ 0.03034 0.00000 0.00000 0.00000 0.00000
43 13YZZ 0.00000 0.00000 0.03034 0.00000 -1.38921
44 13YYZ 0.00000 0.03034 0.00000 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.41076 0.00000
46 14XXX 0.84341 0.00000 0.00000 0.00000 0.00000
47 14YYY 0.00000 0.00000 0.84341 0.00000 0.00000
48 14ZZZ 0.00000 0.84341 0.00000 0.00000 0.00000
49 14XYY -1.91492 0.00000 0.00000 0.00000 0.00000
50 14XXY 0.00000 0.00000 -1.91492 0.00000 -0.84039
51 14XXZ 0.00000 -1.91492 0.00000 0.00000 0.00000
52 14XZZ -1.91492 0.00000 0.00000 0.00000 0.00000
53 14YZZ 0.00000 0.00000 -1.91492 0.00000 0.84039
54 14YYZ 0.00000 -1.91492 0.00000 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.56025 0.00000
56 2 H 1S 0.14025 0.14025 0.14025 0.35754 0.00000
57 2S 3.04854 3.04854 3.04854 -3.13625 0.00000
58 3S -2.92142 -2.92142 -2.92142 -7.23798 0.00000
59 4S -0.28530 -0.28530 -0.28530 -0.17462 0.00000
60 5PX 0.45346 0.01175 0.01175 0.34773 -0.47544
61 5PY 0.01175 0.01175 0.45346 0.34773 0.00000
62 5PZ 0.01175 0.45346 0.01175 0.34773 0.47544
63 6PX -2.49429 -0.21057 -0.21057 0.19852 0.40451
64 6PY -0.21057 -0.21057 -2.49429 0.19852 0.00000
65 6PZ -0.21057 -2.49429 -0.21057 0.19852 -0.40451
66 7PX -0.13824 0.31140 0.31140 0.54846 0.20355
67 7PY 0.31140 0.31140 -0.13824 0.54846 0.00000
68 7PZ 0.31140 -0.13824 0.31140 0.54846 -0.20355
69 8XX 0.78630 0.06761 0.06761 0.47487 0.46585
70 8YY 0.06761 0.06761 0.78630 0.47487 0.00000
71 8ZZ 0.06761 0.78630 0.06761 0.47487 -0.46585
72 8XY 0.29125 -0.11580 0.29125 -0.32522 0.09483
73 8XZ 0.29125 0.29125 -0.11580 -0.32522 0.00000
74 8YZ -0.11580 0.29125 0.29125 -0.32522 -0.09483
75 9XX 0.30580 0.12199 0.12199 0.81658 -0.26189
76 9YY 0.12199 0.12199 0.30580 0.81658 0.00000
77 9ZZ 0.12199 0.30580 0.12199 0.81658 0.26189
78 9XY 0.36871 -0.28154 0.36871 0.21447 0.00656
79 9XZ 0.36871 0.36871 -0.28154 0.21447 0.00000
80 9YZ -0.28154 0.36871 0.36871 0.21447 -0.00656
81 3 H 1S -0.14025 0.14025 -0.14025 0.35754 0.00000
82 2S -3.04854 3.04854 -3.04854 -3.13625 0.00000
83 3S 2.92142 -2.92142 2.92142 -7.23798 0.00000
84 4S 0.28530 -0.28530 0.28530 -0.17462 0.00000
85 5PX 0.45346 -0.01175 0.01175 -0.34773 -0.47544
86 5PY 0.01175 -0.01175 0.45346 -0.34773 0.00000
87 5PZ -0.01175 0.45346 -0.01175 0.34773 -0.47544
88 6PX -2.49429 0.21057 -0.21057 -0.19852 0.40451
89 6PY -0.21057 0.21057 -2.49429 -0.19852 0.00000
90 6PZ 0.21057 -2.49429 0.21057 0.19852 0.40451
91 7PX -0.13824 -0.31140 0.31140 -0.54846 0.20355
92 7PY 0.31140 -0.31140 -0.13824 -0.54846 0.00000
93 7PZ -0.31140 -0.13824 -0.31140 0.54846 0.20355
94 8XX -0.78630 0.06761 -0.06761 0.47487 -0.46585
95 8YY -0.06761 0.06761 -0.78630 0.47487 0.00000
96 8ZZ -0.06761 0.78630 -0.06761 0.47487 0.46585
97 8XY -0.29125 -0.11580 -0.29125 -0.32522 -0.09483
98 8XZ 0.29125 -0.29125 -0.11580 0.32522 0.00000
99 8YZ -0.11580 -0.29125 0.29125 0.32522 -0.09483
100 9XX -0.30580 0.12199 -0.12199 0.81658 0.26189
101 9YY -0.12199 0.12199 -0.30580 0.81658 0.00000
102 9ZZ -0.12199 0.30580 -0.12199 0.81658 -0.26189
103 9XY -0.36871 -0.28154 -0.36871 0.21447 -0.00656
104 9XZ 0.36871 -0.36871 -0.28154 -0.21447 0.00000
105 9YZ -0.28154 -0.36871 0.36871 -0.21447 -0.00656
106 4 H 1S -0.14025 -0.14025 0.14025 0.35754 0.00000
107 2S -3.04854 -3.04854 3.04854 -3.13625 0.00000
108 3S 2.92142 2.92142 -2.92142 -7.23798 0.00000
109 4S 0.28530 0.28530 -0.28530 -0.17462 0.00000
110 5PX 0.45346 0.01175 -0.01175 -0.34773 0.47544
111 5PY -0.01175 -0.01175 0.45346 0.34773 0.00000
112 5PZ 0.01175 0.45346 -0.01175 -0.34773 -0.47544
113 6PX -2.49429 -0.21057 0.21057 -0.19852 -0.40451
114 6PY 0.21057 0.21057 -2.49429 0.19852 0.00000
115 6PZ -0.21057 -2.49429 0.21057 -0.19852 0.40451
116 7PX -0.13824 0.31140 -0.31140 -0.54846 -0.20355
117 7PY -0.31140 -0.31140 -0.13824 0.54846 0.00000
118 7PZ 0.31140 -0.13824 -0.31140 -0.54846 0.20355
119 8XX -0.78630 -0.06761 0.06761 0.47487 0.46585
120 8YY -0.06761 -0.06761 0.78630 0.47487 0.00000
121 8ZZ -0.06761 -0.78630 0.06761 0.47487 -0.46585
122 8XY 0.29125 -0.11580 -0.29125 0.32522 -0.09483
123 8XZ -0.29125 -0.29125 -0.11580 -0.32522 0.00000
124 8YZ -0.11580 0.29125 -0.29125 0.32522 0.09483
125 9XX -0.30580 -0.12199 0.12199 0.81658 -0.26189
126 9YY -0.12199 -0.12199 0.30580 0.81658 0.00000
127 9ZZ -0.12199 -0.30580 0.12199 0.81658 0.26189
128 9XY 0.36871 -0.28154 -0.36871 -0.21447 -0.00656
129 9XZ -0.36871 -0.36871 -0.28154 0.21447 0.00000
130 9YZ -0.28154 0.36871 -0.36871 -0.21447 0.00656
131 5 H 1S 0.14025 -0.14025 -0.14025 0.35754 0.00000
132 2S 3.04854 -3.04854 -3.04854 -3.13625 0.00000
133 3S -2.92142 2.92142 2.92142 -7.23798 0.00000
134 4S -0.28530 0.28530 0.28530 -0.17462 0.00000
135 5PX 0.45346 -0.01175 -0.01175 0.34773 0.47544
136 5PY -0.01175 0.01175 0.45346 -0.34773 0.00000
137 5PZ -0.01175 0.45346 0.01175 -0.34773 0.47544
138 6PX -2.49429 0.21057 0.21057 0.19852 -0.40451
139 6PY 0.21057 -0.21057 -2.49429 -0.19852 0.00000
140 6PZ 0.21057 -2.49429 -0.21057 -0.19852 -0.40451
141 7PX -0.13824 -0.31140 -0.31140 0.54846 -0.20355
142 7PY -0.31140 0.31140 -0.13824 -0.54846 0.00000
143 7PZ -0.31140 -0.13824 0.31140 -0.54846 -0.20355
144 8XX 0.78630 -0.06761 -0.06761 0.47487 -0.46585
145 8YY 0.06761 -0.06761 -0.78630 0.47487 0.00000
146 8ZZ 0.06761 -0.78630 -0.06761 0.47487 0.46585
147 8XY -0.29125 -0.11580 0.29125 0.32522 0.09483
148 8XZ -0.29125 0.29125 -0.11580 0.32522 0.00000
149 8YZ -0.11580 -0.29125 -0.29125 -0.32522 0.09483
150 9XX 0.30580 -0.12199 -0.12199 0.81658 0.26189
151 9YY 0.12199 -0.12199 -0.30580 0.81658 0.00000
152 9ZZ 0.12199 -0.30580 -0.12199 0.81658 -0.26189
153 9XY -0.36871 -0.28154 0.36871 -0.21447 0.00656
154 9XZ -0.36871 0.36871 -0.28154 -0.21447 0.00000
155 9YZ -0.28154 -0.36871 -0.36871 0.21447 0.00656
136 137 138 139 140
(T1)--V (T1)--V (E)--V (E)--V (T2)--V
Eigenvalues -- 5.63617 5.63617 5.81373 5.81373 5.83358
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000
2 2S 0.00000 0.00000 0.00000 0.00000 0.00000
3 3S 0.00000 0.00000 0.00000 0.00000 0.00000
4 4S 0.00000 0.00000 0.00000 0.00000 0.00000
5 5S 0.00000 0.00000 0.00000 0.00000 0.00000
6 6PX 0.00000 0.00000 0.00000 0.00000 0.09105
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 -3.35175
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 8.45887
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 0.22353
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 10XX 0.00000 0.00000 -0.02043 0.62220 0.00000
19 10YY 0.00000 0.00000 -0.52863 -0.32879 0.00000
20 10ZZ 0.00000 0.00000 0.54906 -0.29341 0.00000
21 10XY 0.00000 0.00000 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.00000 0.00000 0.00000
23 10YZ 0.00000 0.00000 0.00000 0.00000 -0.04208
24 11XX 0.00000 0.00000 -0.14055 4.28152 0.00000
25 11YY 0.00000 0.00000 -3.63763 -2.26248 0.00000
26 11ZZ 0.00000 0.00000 3.77818 -2.01904 0.00000
27 11XY 0.00000 0.00000 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 0.00000 0.00000 0.00000
29 11YZ 0.00000 0.00000 0.00000 0.00000 -3.95078
30 12XX 0.00000 0.00000 -0.02271 0.69179 0.00000
31 12YY 0.00000 0.00000 -0.58775 -0.36556 0.00000
32 12ZZ 0.00000 0.00000 0.61046 -0.32623 0.00000
33 12XY 0.00000 0.00000 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 0.00000 0.00000 0.00000
35 12YZ 0.00000 0.00000 0.00000 0.00000 0.62865
36 13XXX 0.00000 0.00000 0.00000 0.00000 0.48639
37 13YYY 0.00000 0.00000 0.00000 0.00000 0.00000
38 13ZZZ 0.00000 0.00000 0.00000 0.00000 0.00000
39 13XYY 1.38921 0.00000 0.00000 0.00000 -0.64712
40 13XXY 0.00000 0.00000 0.00000 0.00000 0.00000
41 13XXZ 0.00000 1.38921 0.00000 0.00000 0.00000
42 13XZZ -1.38921 0.00000 0.00000 0.00000 -0.64712
43 13YZZ 0.00000 0.00000 0.00000 0.00000 0.00000
44 13YYZ 0.00000 -1.38921 0.00000 0.00000 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
46 14XXX 0.00000 0.00000 0.00000 0.00000 -2.13115
47 14YYY 0.00000 0.00000 0.00000 0.00000 0.00000
48 14ZZZ 0.00000 0.00000 0.00000 0.00000 0.00000
49 14XYY -0.84039 0.00000 0.00000 0.00000 -1.98225
50 14XXY 0.00000 0.00000 0.00000 0.00000 0.00000
51 14XXZ 0.00000 -0.84039 0.00000 0.00000 0.00000
52 14XZZ 0.84039 0.00000 0.00000 0.00000 -1.98225
53 14YZZ 0.00000 0.00000 0.00000 0.00000 0.00000
54 14YYZ 0.00000 0.84039 0.00000 0.00000 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 0.00000
56 2 H 1S 0.00000 0.00000 0.00000 0.00000 -0.30934
57 2S 0.00000 0.00000 0.00000 0.00000 5.73845
58 3S 0.00000 0.00000 0.00000 0.00000 -2.23667
59 4S 0.00000 0.00000 0.00000 0.00000 -0.22668
60 5PX 0.00000 -0.47544 -0.00059 0.01809 -0.17378
61 5PY -0.47544 0.47544 -0.01537 -0.00956 -0.00471
62 5PZ 0.47544 0.00000 0.01596 -0.00853 -0.00471
63 6PX 0.00000 0.40451 0.05088 -1.54986 -1.13920
64 6PY 0.40451 -0.40451 1.31678 0.81899 -0.36742
65 6PZ -0.40451 0.00000 -1.36765 0.73087 -0.36742
66 7PX 0.00000 0.20355 0.01185 -0.36091 0.03575
67 7PY 0.20355 -0.20355 0.30663 0.19072 0.52233
68 7PZ -0.20355 0.00000 -0.31848 0.17019 0.52233
69 8XX 0.00000 0.46585 -0.01729 0.52657 -0.52587
70 8YY 0.46585 -0.46585 -0.44738 -0.27825 -0.98830
71 8ZZ -0.46585 0.00000 0.46466 -0.24831 -0.98830
72 8XY 0.09483 0.00000 -0.50608 0.27045 0.16497
73 8XZ -0.09483 0.09483 0.48725 0.30305 0.16497
74 8YZ 0.00000 -0.09483 0.01883 -0.57350 -0.29055
75 9XX 0.00000 -0.26189 -0.01035 0.31519 -0.93269
76 9YY -0.26189 0.26189 -0.26779 -0.16656 -0.97972
77 9ZZ 0.26189 0.00000 0.27814 -0.14863 -0.97972
78 9XY 0.00656 0.00000 -0.22258 0.11895 0.07247
79 9XZ -0.00656 0.00656 0.21430 0.13329 0.07247
80 9YZ 0.00000 -0.00656 0.00828 -0.25223 0.05010
81 3 H 1S 0.00000 0.00000 0.00000 0.00000 0.30934
82 2S 0.00000 0.00000 0.00000 0.00000 -5.73845
83 3S 0.00000 0.00000 0.00000 0.00000 2.23667
84 4S 0.00000 0.00000 0.00000 0.00000 0.22668
85 5PX 0.00000 0.47544 0.00059 -0.01809 -0.17378
86 5PY -0.47544 -0.47544 0.01537 0.00956 -0.00471
87 5PZ -0.47544 0.00000 0.01596 -0.00853 0.00471
88 6PX 0.00000 -0.40451 -0.05088 1.54986 -1.13920
89 6PY 0.40451 0.40451 -1.31678 -0.81899 -0.36742
90 6PZ 0.40451 0.00000 -1.36765 0.73087 0.36742
91 7PX 0.00000 -0.20355 -0.01185 0.36091 0.03575
92 7PY 0.20355 0.20355 -0.30663 -0.19072 0.52233
93 7PZ 0.20355 0.00000 -0.31848 0.17019 -0.52233
94 8XX 0.00000 0.46585 -0.01729 0.52657 0.52587
95 8YY -0.46585 -0.46585 -0.44738 -0.27825 0.98830
96 8ZZ 0.46585 0.00000 0.46466 -0.24831 0.98830
97 8XY -0.09483 0.00000 -0.50608 0.27045 -0.16497
98 8XZ -0.09483 -0.09483 -0.48725 -0.30305 0.16497
99 8YZ 0.00000 0.09483 -0.01883 0.57350 -0.29055
100 9XX 0.00000 -0.26189 -0.01035 0.31519 0.93269
101 9YY 0.26189 0.26189 -0.26779 -0.16656 0.97972
102 9ZZ -0.26189 0.00000 0.27814 -0.14863 0.97972
103 9XY -0.00656 0.00000 -0.22258 0.11895 -0.07247
104 9XZ -0.00656 -0.00656 -0.21430 -0.13329 0.07247
105 9YZ 0.00000 0.00656 -0.00828 0.25223 0.05010
106 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.30934
107 2S 0.00000 0.00000 0.00000 0.00000 -5.73845
108 3S 0.00000 0.00000 0.00000 0.00000 2.23667
109 4S 0.00000 0.00000 0.00000 0.00000 0.22668
110 5PX 0.00000 -0.47544 0.00059 -0.01809 -0.17378
111 5PY 0.47544 -0.47544 -0.01537 -0.00956 0.00471
112 5PZ 0.47544 0.00000 -0.01596 0.00853 -0.00471
113 6PX 0.00000 0.40451 -0.05088 1.54986 -1.13920
114 6PY -0.40451 0.40451 1.31678 0.81899 0.36742
115 6PZ -0.40451 0.00000 1.36765 -0.73087 -0.36742
116 7PX 0.00000 0.20355 -0.01185 0.36091 0.03575
117 7PY -0.20355 0.20355 0.30663 0.19072 -0.52233
118 7PZ -0.20355 0.00000 0.31848 -0.17019 0.52233
119 8XX 0.00000 -0.46585 -0.01729 0.52657 0.52587
120 8YY -0.46585 0.46585 -0.44738 -0.27825 0.98830
121 8ZZ 0.46585 0.00000 0.46466 -0.24831 0.98830
122 8XY 0.09483 0.00000 0.50608 -0.27045 0.16497
123 8XZ 0.09483 -0.09483 0.48725 0.30305 -0.16497
124 8YZ 0.00000 -0.09483 -0.01883 0.57350 -0.29055
125 9XX 0.00000 0.26189 -0.01035 0.31519 0.93269
126 9YY 0.26189 -0.26189 -0.26779 -0.16656 0.97972
127 9ZZ -0.26189 0.00000 0.27814 -0.14863 0.97972
128 9XY 0.00656 0.00000 0.22258 -0.11895 0.07247
129 9XZ 0.00656 -0.00656 0.21430 0.13329 -0.07247
130 9YZ 0.00000 -0.00656 -0.00828 0.25223 0.05010
131 5 H 1S 0.00000 0.00000 0.00000 0.00000 -0.30934
132 2S 0.00000 0.00000 0.00000 0.00000 5.73845
133 3S 0.00000 0.00000 0.00000 0.00000 -2.23667
134 4S 0.00000 0.00000 0.00000 0.00000 -0.22668
135 5PX 0.00000 0.47544 -0.00059 0.01809 -0.17378
136 5PY 0.47544 0.47544 0.01537 0.00956 0.00471
137 5PZ -0.47544 0.00000 -0.01596 0.00853 0.00471
138 6PX 0.00000 -0.40451 0.05088 -1.54986 -1.13920
139 6PY -0.40451 -0.40451 -1.31678 -0.81899 0.36742
140 6PZ 0.40451 0.00000 1.36765 -0.73087 0.36742
141 7PX 0.00000 -0.20355 0.01185 -0.36091 0.03575
142 7PY -0.20355 -0.20355 -0.30663 -0.19072 -0.52233
143 7PZ 0.20355 0.00000 0.31848 -0.17019 -0.52233
144 8XX 0.00000 -0.46585 -0.01729 0.52657 -0.52587
145 8YY 0.46585 0.46585 -0.44738 -0.27825 -0.98830
146 8ZZ -0.46585 0.00000 0.46466 -0.24831 -0.98830
147 8XY -0.09483 0.00000 0.50608 -0.27045 -0.16497
148 8XZ 0.09483 0.09483 -0.48725 -0.30305 -0.16497
149 8YZ 0.00000 0.09483 0.01883 -0.57350 -0.29055
150 9XX 0.00000 0.26189 -0.01035 0.31519 -0.93269
151 9YY -0.26189 -0.26189 -0.26779 -0.16656 -0.97972
152 9ZZ 0.26189 0.00000 0.27814 -0.14863 -0.97972
153 9XY -0.00656 0.00000 0.22258 -0.11895 -0.07247
154 9XZ 0.00656 0.00656 -0.21430 -0.13329 -0.07247
155 9YZ 0.00000 0.00656 0.00828 -0.25223 0.05010
141 142 143 144 145
(T2)--V (T2)--V (A1)--V (T2)--V (T2)--V
Eigenvalues -- 5.83358 5.83358 5.94629 6.69324 6.69324
1 1 C 1S 0.00000 0.00000 -0.14028 0.00000 0.00000
2 2S 0.00000 0.00000 -0.18675 0.00000 0.00000
3 3S 0.00000 0.00000 2.54605 0.00000 0.00000
4 4S 0.00000 0.00000 -5.32145 0.00000 0.00000
5 5S 0.00000 0.00000 0.59664 0.00000 0.00000
6 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
7 6PY 0.09105 0.00000 0.00000 0.42553 0.00000
8 6PZ 0.00000 0.09105 0.00000 0.00000 0.42553
9 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
10 7PY -3.35175 0.00000 0.00000 17.31147 0.00000
11 7PZ 0.00000 -3.35175 0.00000 0.00000 17.31147
12 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
13 8PY 8.45887 0.00000 0.00000 -15.90575 0.00000
14 8PZ 0.00000 8.45887 0.00000 0.00000 -15.90575
15 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
16 9PY 0.22353 0.00000 0.00000 -0.53582 0.00000
17 9PZ 0.00000 0.22353 0.00000 0.00000 -0.53582
18 10XX 0.00000 0.00000 0.67441 0.00000 0.00000
19 10YY 0.00000 0.00000 0.67441 0.00000 0.00000
20 10ZZ 0.00000 0.00000 0.67441 0.00000 0.00000
21 10XY 0.00000 -0.04208 0.00000 0.00000 1.31730
22 10XZ -0.04208 0.00000 0.00000 1.31730 0.00000
23 10YZ 0.00000 0.00000 0.00000 0.00000 0.00000
24 11XX 0.00000 0.00000 2.74652 0.00000 0.00000
25 11YY 0.00000 0.00000 2.74652 0.00000 0.00000
26 11ZZ 0.00000 0.00000 2.74652 0.00000 0.00000
27 11XY 0.00000 -3.95078 0.00000 0.00000 5.75077
28 11XZ -3.95078 0.00000 0.00000 5.75077 0.00000
29 11YZ 0.00000 0.00000 0.00000 0.00000 0.00000
30 12XX 0.00000 0.00000 -4.24777 0.00000 0.00000
31 12YY 0.00000 0.00000 -4.24777 0.00000 0.00000
32 12ZZ 0.00000 0.00000 -4.24777 0.00000 0.00000
33 12XY 0.00000 0.62865 0.00000 0.00000 -1.81329
34 12XZ 0.62865 0.00000 0.00000 -1.81329 0.00000
35 12YZ 0.00000 0.00000 0.00000 0.00000 0.00000
36 13XXX 0.00000 0.00000 0.00000 0.00000 0.00000
37 13YYY 0.48639 0.00000 0.00000 1.10510 0.00000
38 13ZZZ 0.00000 0.48639 0.00000 0.00000 1.10510
39 13XYY 0.00000 0.00000 0.00000 0.00000 0.00000
40 13XXY -0.64712 0.00000 0.00000 0.49114 0.00000
41 13XXZ 0.00000 -0.64712 0.00000 0.00000 0.49114
42 13XZZ 0.00000 0.00000 0.00000 0.00000 0.00000
43 13YZZ -0.64712 0.00000 0.00000 0.49114 0.00000
44 13YYZ 0.00000 -0.64712 0.00000 0.00000 0.49114
45 13XYZ 0.00000 0.00000 -0.71410 0.00000 0.00000
46 14XXX 0.00000 0.00000 0.00000 0.00000 0.00000
47 14YYY -2.13115 0.00000 0.00000 7.16210 0.00000
48 14ZZZ 0.00000 -2.13115 0.00000 0.00000 7.16210
49 14XYY 0.00000 0.00000 0.00000 0.00000 0.00000
50 14XXY -1.98225 0.00000 0.00000 3.18868 0.00000
51 14XXZ 0.00000 -1.98225 0.00000 0.00000 3.18868
52 14XZZ 0.00000 0.00000 0.00000 0.00000 0.00000
53 14YZZ -1.98225 0.00000 0.00000 3.18868 0.00000
54 14YYZ 0.00000 -1.98225 0.00000 0.00000 3.18868
55 14XYZ 0.00000 0.00000 1.81723 0.00000 0.00000
56 2 H 1S -0.30934 -0.30934 0.23012 1.24703 1.24703
57 2S 5.73845 5.73845 -5.69420 -13.79441 -13.79441
58 3S -2.23667 -2.23667 8.78482 5.96498 5.96498
59 4S -0.22668 -0.22668 -0.01684 0.28506 0.28506
60 5PX -0.00471 -0.00471 -0.16548 0.04738 0.04738
61 5PY -0.17378 -0.00471 -0.16548 0.05519 0.04738
62 5PZ -0.00471 -0.17378 -0.16548 0.04738 0.05519
63 6PX -0.36742 -0.36742 1.01653 3.98517 3.98517
64 6PY -1.13920 -0.36742 1.01653 2.75104 3.98517
65 6PZ -0.36742 -1.13920 1.01653 3.98517 2.75104
66 7PX 0.52233 0.52233 -0.74708 -0.63037 -0.63037
67 7PY 0.03575 0.52233 -0.74708 -0.16539 -0.63037
68 7PZ 0.52233 0.03575 -0.74708 -0.63037 -0.16539
69 8XX -0.98830 -0.98830 -0.59817 0.54615 0.54615
70 8YY -0.52587 -0.98830 -0.59817 0.72870 0.54615
71 8ZZ -0.98830 -0.52587 -0.59817 0.54615 0.72870
72 8XY 0.16497 -0.29055 -0.25109 -0.49627 -0.83372
73 8XZ -0.29055 0.16497 -0.25109 -0.83372 -0.49627
74 8YZ 0.16497 0.16497 -0.25109 -0.49627 -0.49627
75 9XX -0.97972 -0.97972 -1.47509 0.69489 0.69489
76 9YY -0.93269 -0.97972 -1.47509 0.99804 0.69489
77 9ZZ -0.97972 -0.93269 -1.47509 0.69489 0.99804
78 9XY 0.07247 0.05010 0.21514 -0.36641 -0.75764
79 9XZ 0.05010 0.07247 0.21514 -0.75764 -0.36641
80 9YZ 0.07247 0.07247 0.21514 -0.36641 -0.36641
81 3 H 1S 0.30934 -0.30934 0.23012 -1.24703 1.24703
82 2S -5.73845 5.73845 -5.69420 13.79441 -13.79441
83 3S 2.23667 -2.23667 8.78482 -5.96498 5.96498
84 4S 0.22668 -0.22668 -0.01684 -0.28506 0.28506
85 5PX -0.00471 0.00471 0.16548 0.04738 -0.04738
86 5PY -0.17378 0.00471 0.16548 0.05519 -0.04738
87 5PZ 0.00471 -0.17378 -0.16548 -0.04738 0.05519
88 6PX -0.36742 0.36742 -1.01653 3.98517 -3.98517
89 6PY -1.13920 0.36742 -1.01653 2.75104 -3.98517
90 6PZ 0.36742 -1.13920 1.01653 -3.98517 2.75104
91 7PX 0.52233 -0.52233 0.74708 -0.63037 0.63037
92 7PY 0.03575 -0.52233 0.74708 -0.16539 0.63037
93 7PZ -0.52233 0.03575 -0.74708 0.63037 -0.16539
94 8XX 0.98830 -0.98830 -0.59817 -0.54615 0.54615
95 8YY 0.52587 -0.98830 -0.59817 -0.72870 0.54615
96 8ZZ 0.98830 -0.52587 -0.59817 -0.54615 0.72870
97 8XY -0.16497 -0.29055 -0.25109 0.49627 -0.83372
98 8XZ -0.29055 -0.16497 0.25109 -0.83372 0.49627
99 8YZ 0.16497 -0.16497 0.25109 -0.49627 0.49627
100 9XX 0.97972 -0.97972 -1.47509 -0.69489 0.69489
101 9YY 0.93269 -0.97972 -1.47509 -0.99804 0.69489
102 9ZZ 0.97972 -0.93269 -1.47509 -0.69489 0.99804
103 9XY -0.07247 0.05010 0.21514 0.36641 -0.75764
104 9XZ 0.05010 -0.07247 -0.21514 -0.75764 0.36641
105 9YZ 0.07247 -0.07247 -0.21514 -0.36641 0.36641
106 4 H 1S -0.30934 0.30934 0.23012 1.24703 -1.24703
107 2S 5.73845 -5.73845 -5.69420 -13.79441 13.79441
108 3S -2.23667 2.23667 8.78482 5.96498 -5.96498
109 4S -0.22668 0.22668 -0.01684 0.28506 -0.28506
110 5PX 0.00471 -0.00471 0.16548 -0.04738 0.04738
111 5PY -0.17378 0.00471 -0.16548 0.05519 -0.04738
112 5PZ 0.00471 -0.17378 0.16548 -0.04738 0.05519
113 6PX 0.36742 -0.36742 -1.01653 -3.98517 3.98517
114 6PY -1.13920 0.36742 1.01653 2.75104 -3.98517
115 6PZ 0.36742 -1.13920 -1.01653 -3.98517 2.75104
116 7PX -0.52233 0.52233 0.74708 0.63037 -0.63037
117 7PY 0.03575 -0.52233 -0.74708 -0.16539 0.63037
118 7PZ -0.52233 0.03575 0.74708 0.63037 -0.16539
119 8XX -0.98830 0.98830 -0.59817 0.54615 -0.54615
120 8YY -0.52587 0.98830 -0.59817 0.72870 -0.54615
121 8ZZ -0.98830 0.52587 -0.59817 0.54615 -0.72870
122 8XY -0.16497 -0.29055 0.25109 0.49627 -0.83372
123 8XZ -0.29055 -0.16497 -0.25109 -0.83372 0.49627
124 8YZ -0.16497 0.16497 0.25109 0.49627 -0.49627
125 9XX -0.97972 0.97972 -1.47509 0.69489 -0.69489
126 9YY -0.93269 0.97972 -1.47509 0.99804 -0.69489
127 9ZZ -0.97972 0.93269 -1.47509 0.69489 -0.99804
128 9XY -0.07247 0.05010 -0.21514 0.36641 -0.75764
129 9XZ 0.05010 -0.07247 0.21514 -0.75764 0.36641
130 9YZ -0.07247 0.07247 -0.21514 0.36641 -0.36641
131 5 H 1S 0.30934 0.30934 0.23012 -1.24703 -1.24703
132 2S -5.73845 -5.73845 -5.69420 13.79441 13.79441
133 3S 2.23667 2.23667 8.78482 -5.96498 -5.96498
134 4S 0.22668 0.22668 -0.01684 -0.28506 -0.28506
135 5PX 0.00471 0.00471 -0.16548 -0.04738 -0.04738
136 5PY -0.17378 -0.00471 0.16548 0.05519 0.04738
137 5PZ -0.00471 -0.17378 0.16548 0.04738 0.05519
138 6PX 0.36742 0.36742 1.01653 -3.98517 -3.98517
139 6PY -1.13920 -0.36742 -1.01653 2.75104 3.98517
140 6PZ -0.36742 -1.13920 -1.01653 3.98517 2.75104
141 7PX -0.52233 -0.52233 -0.74708 0.63037 0.63037
142 7PY 0.03575 0.52233 0.74708 -0.16539 -0.63037
143 7PZ 0.52233 0.03575 0.74708 -0.63037 -0.16539
144 8XX 0.98830 0.98830 -0.59817 -0.54615 -0.54615
145 8YY 0.52587 0.98830 -0.59817 -0.72870 -0.54615
146 8ZZ 0.98830 0.52587 -0.59817 -0.54615 -0.72870
147 8XY 0.16497 -0.29055 0.25109 -0.49627 -0.83372
148 8XZ -0.29055 0.16497 0.25109 -0.83372 -0.49627
149 8YZ -0.16497 -0.16497 -0.25109 0.49627 0.49627
150 9XX 0.97972 0.97972 -1.47509 -0.69489 -0.69489
151 9YY 0.93269 0.97972 -1.47509 -0.99804 -0.69489
152 9ZZ 0.97972 0.93269 -1.47509 -0.69489 -0.99804
153 9XY 0.07247 0.05010 -0.21514 -0.36641 -0.75764
154 9XZ 0.05010 0.07247 -0.21514 -0.75764 -0.36641
155 9YZ -0.07247 -0.07247 0.21514 0.36641 0.36641
146 147 148 149 150
(T2)--V (T2)--V (T2)--V (T2)--V (A1)--V
Eigenvalues -- 6.69324 7.38463 7.38463 7.38463 7.58408
1 1 C 1S 0.00000 0.00000 0.00000 0.00000 -0.01801
2 2S 0.00000 0.00000 0.00000 0.00000 -1.18716
3 3S 0.00000 0.00000 0.00000 0.00000 5.44138
4 4S 0.00000 0.00000 0.00000 0.00000 63.92597
5 5S 0.00000 0.00000 0.00000 0.00000 -2.40203
6 6PX 0.42553 -0.03704 0.00000 0.00000 0.00000
7 6PY 0.00000 0.00000 -0.03704 0.00000 0.00000
8 6PZ 0.00000 0.00000 0.00000 -0.03704 0.00000
9 7PX 17.31147 4.79499 0.00000 0.00000 0.00000
10 7PY 0.00000 0.00000 4.79499 0.00000 0.00000
11 7PZ 0.00000 0.00000 0.00000 4.79499 0.00000
12 8PX -15.90575 4.08254 0.00000 0.00000 0.00000
13 8PY 0.00000 0.00000 4.08254 0.00000 0.00000
14 8PZ 0.00000 0.00000 0.00000 4.08254 0.00000
15 9PX -0.53582 -0.02406 0.00000 0.00000 0.00000
16 9PY 0.00000 0.00000 -0.02406 0.00000 0.00000
17 9PZ 0.00000 0.00000 0.00000 -0.02406 0.00000
18 10XX 0.00000 0.00000 0.00000 0.00000 0.92635
19 10YY 0.00000 0.00000 0.00000 0.00000 0.92635
20 10ZZ 0.00000 0.00000 0.00000 0.00000 0.92635
21 10XY 0.00000 0.00000 0.00000 1.40472 0.00000
22 10XZ 0.00000 0.00000 1.40472 0.00000 0.00000
23 10YZ 1.31730 1.40472 0.00000 0.00000 0.00000
24 11XX 0.00000 0.00000 0.00000 0.00000 6.55955
25 11YY 0.00000 0.00000 0.00000 0.00000 6.55955
26 11ZZ 0.00000 0.00000 0.00000 0.00000 6.55955
27 11XY 0.00000 0.00000 0.00000 7.53566 0.00000
28 11XZ 0.00000 0.00000 7.53566 0.00000 0.00000
29 11YZ 5.75077 7.53566 0.00000 0.00000 0.00000
30 12XX 0.00000 0.00000 0.00000 0.00000 11.05199
31 12YY 0.00000 0.00000 0.00000 0.00000 11.05199
32 12ZZ 0.00000 0.00000 0.00000 0.00000 11.05199
33 12XY 0.00000 0.00000 0.00000 1.26130 0.00000
34 12XZ 0.00000 0.00000 1.26130 0.00000 0.00000
35 12YZ -1.81329 1.26130 0.00000 0.00000 0.00000
36 13XXX 1.10510 -0.77392 0.00000 0.00000 0.00000
37 13YYY 0.00000 0.00000 -0.77392 0.00000 0.00000
38 13ZZZ 0.00000 0.00000 0.00000 -0.77392 0.00000
39 13XYY 0.49114 1.37686 0.00000 0.00000 0.00000
40 13XXY 0.00000 0.00000 1.37686 0.00000 0.00000
41 13XXZ 0.00000 0.00000 0.00000 1.37686 0.00000
42 13XZZ 0.49114 1.37686 0.00000 0.00000 0.00000
43 13YZZ 0.00000 0.00000 1.37686 0.00000 0.00000
44 13YYZ 0.00000 0.00000 0.00000 1.37686 0.00000
45 13XYZ 0.00000 0.00000 0.00000 0.00000 -1.89334
46 14XXX 7.16210 -1.51044 0.00000 0.00000 0.00000
47 14YYY 0.00000 0.00000 -1.51044 0.00000 0.00000
48 14ZZZ 0.00000 0.00000 0.00000 -1.51044 0.00000
49 14XYY 3.18868 1.60195 0.00000 0.00000 0.00000
50 14XXY 0.00000 0.00000 1.60195 0.00000 0.00000
51 14XXZ 0.00000 0.00000 0.00000 1.60195 0.00000
52 14XZZ 3.18868 1.60195 0.00000 0.00000 0.00000
53 14YZZ 0.00000 0.00000 1.60195 0.00000 0.00000
54 14YYZ 0.00000 0.00000 0.00000 1.60195 0.00000
55 14XYZ 0.00000 0.00000 0.00000 0.00000 3.26239
56 2 H 1S 1.24703 -1.29658 -1.29658 -1.29658 2.11563
57 2S -13.79441 -4.06827 -4.06827 -4.06827 -10.77908
58 3S 5.96498 -1.99092 -1.99092 -1.99092 -25.48620
59 4S 0.28506 -0.07453 -0.07453 -0.07453 0.07612
60 5PX 0.05519 0.63307 0.57138 0.57138 -0.58224
61 5PY 0.04738 0.57138 0.63307 0.57138 -0.58224
62 5PZ 0.04738 0.57138 0.57138 0.63307 -0.58224
63 6PX 2.75104 2.27910 0.40724 0.40724 1.46524
64 6PY 3.98517 0.40724 2.27910 0.40724 1.46524
65 6PZ 3.98517 0.40724 0.40724 2.27910 1.46524
66 7PX -0.16539 0.52817 0.14893 0.14893 2.61986
67 7PY -0.63037 0.14893 0.52817 0.14893 2.61986
68 7PZ -0.63037 0.14893 0.14893 0.52817 2.61986
69 8XX 0.72870 -1.26011 -0.86403 -0.86403 1.43098
70 8YY 0.54615 -0.86403 -1.26011 -0.86403 1.43098
71 8ZZ 0.54615 -0.86403 -0.86403 -1.26011 1.43098
72 8XY -0.49627 -0.35440 -0.35440 -0.03011 0.08679
73 8XZ -0.49627 -0.35440 -0.03011 -0.35440 0.08679
74 8YZ -0.83372 -0.03011 -0.35440 -0.35440 0.08679
75 9XX 0.99804 -0.89747 -0.48927 -0.48927 2.10720
76 9YY 0.69489 -0.48927 -0.89747 -0.48927 2.10720
77 9ZZ 0.69489 -0.48927 -0.48927 -0.89747 2.10720
78 9XY -0.36641 -0.08924 -0.08924 0.34592 -0.03414
79 9XZ -0.36641 -0.08924 0.34592 -0.08924 -0.03414
80 9YZ -0.75764 0.34592 -0.08924 -0.08924 -0.03414
81 3 H 1S -1.24703 1.29658 1.29658 -1.29658 2.11563
82 2S 13.79441 4.06827 4.06827 -4.06827 -10.77908
83 3S -5.96498 1.99092 1.99092 -1.99092 -25.48620
84 4S -0.28506 0.07453 0.07453 -0.07453 0.07612
85 5PX 0.05519 0.63307 0.57138 -0.57138 0.58224
86 5PY 0.04738 0.57138 0.63307 -0.57138 0.58224
87 5PZ -0.04738 -0.57138 -0.57138 0.63307 -0.58224
88 6PX 2.75104 2.27910 0.40724 -0.40724 -1.46524
89 6PY 3.98517 0.40724 2.27910 -0.40724 -1.46524
90 6PZ -3.98517 -0.40724 -0.40724 2.27910 1.46524
91 7PX -0.16539 0.52817 0.14893 -0.14893 -2.61986
92 7PY -0.63037 0.14893 0.52817 -0.14893 -2.61986
93 7PZ 0.63037 -0.14893 -0.14893 0.52817 2.61986
94 8XX -0.72870 1.26011 0.86403 -0.86403 1.43098
95 8YY -0.54615 0.86403 1.26011 -0.86403 1.43098
96 8ZZ -0.54615 0.86403 0.86403 -1.26011 1.43098
97 8XY 0.49627 0.35440 0.35440 -0.03011 0.08679
98 8XZ -0.49627 -0.35440 -0.03011 0.35440 -0.08679
99 8YZ -0.83372 -0.03011 -0.35440 0.35440 -0.08679
100 9XX -0.99804 0.89747 0.48927 -0.48927 2.10720
101 9YY -0.69489 0.48927 0.89747 -0.48927 2.10720
102 9ZZ -0.69489 0.48927 0.48927 -0.89747 2.10720
103 9XY 0.36641 0.08924 0.08924 0.34592 -0.03414
104 9XZ -0.36641 -0.08924 0.34592 0.08924 0.03414
105 9YZ -0.75764 0.34592 -0.08924 0.08924 0.03414
106 4 H 1S -1.24703 1.29658 -1.29658 1.29658 2.11563
107 2S 13.79441 4.06827 -4.06827 4.06827 -10.77908
108 3S -5.96498 1.99092 -1.99092 1.99092 -25.48620
109 4S -0.28506 0.07453 -0.07453 0.07453 0.07612
110 5PX 0.05519 0.63307 -0.57138 0.57138 0.58224
111 5PY -0.04738 -0.57138 0.63307 -0.57138 -0.58224
112 5PZ 0.04738 0.57138 -0.57138 0.63307 0.58224
113 6PX 2.75104 2.27910 -0.40724 0.40724 -1.46524
114 6PY -3.98517 -0.40724 2.27910 -0.40724 1.46524
115 6PZ 3.98517 0.40724 -0.40724 2.27910 -1.46524
116 7PX -0.16539 0.52817 -0.14893 0.14893 -2.61986
117 7PY 0.63037 -0.14893 0.52817 -0.14893 2.61986
118 7PZ -0.63037 0.14893 -0.14893 0.52817 -2.61986
119 8XX -0.72870 1.26011 -0.86403 0.86403 1.43098
120 8YY -0.54615 0.86403 -1.26011 0.86403 1.43098
121 8ZZ -0.54615 0.86403 -0.86403 1.26011 1.43098
122 8XY -0.49627 -0.35440 0.35440 -0.03011 -0.08679
123 8XZ 0.49627 0.35440 -0.03011 0.35440 0.08679
124 8YZ -0.83372 -0.03011 0.35440 -0.35440 -0.08679
125 9XX -0.99804 0.89747 -0.48927 0.48927 2.10720
126 9YY -0.69489 0.48927 -0.89747 0.48927 2.10720
127 9ZZ -0.69489 0.48927 -0.48927 0.89747 2.10720
128 9XY -0.36641 -0.08924 0.08924 0.34592 0.03414
129 9XZ 0.36641 0.08924 0.34592 0.08924 -0.03414
130 9YZ -0.75764 0.34592 0.08924 -0.08924 0.03414
131 5 H 1S 1.24703 -1.29658 1.29658 1.29658 2.11563
132 2S -13.79441 -4.06827 4.06827 4.06827 -10.77908
133 3S 5.96498 -1.99092 1.99092 1.99092 -25.48620
134 4S 0.28506 -0.07453 0.07453 0.07453 0.07612
135 5PX 0.05519 0.63307 -0.57138 -0.57138 -0.58224
136 5PY -0.04738 -0.57138 0.63307 0.57138 0.58224
137 5PZ -0.04738 -0.57138 0.57138 0.63307 0.58224
138 6PX 2.75104 2.27910 -0.40724 -0.40724 1.46524
139 6PY -3.98517 -0.40724 2.27910 0.40724 -1.46524
140 6PZ -3.98517 -0.40724 0.40724 2.27910 -1.46524
141 7PX -0.16539 0.52817 -0.14893 -0.14893 2.61986
142 7PY 0.63037 -0.14893 0.52817 0.14893 -2.61986
143 7PZ 0.63037 -0.14893 0.14893 0.52817 -2.61986
144 8XX 0.72870 -1.26011 0.86403 0.86403 1.43098
145 8YY 0.54615 -0.86403 1.26011 0.86403 1.43098
146 8ZZ 0.54615 -0.86403 0.86403 1.26011 1.43098
147 8XY 0.49627 0.35440 -0.35440 -0.03011 -0.08679
148 8XZ 0.49627 0.35440 -0.03011 -0.35440 -0.08679
149 8YZ -0.83372 -0.03011 0.35440 0.35440 0.08679
150 9XX 0.99804 -0.89747 0.48927 0.48927 2.10720
151 9YY 0.69489 -0.48927 0.89747 0.48927 2.10720
152 9ZZ 0.69489 -0.48927 0.48927 0.89747 2.10720
153 9XY 0.36641 0.08924 -0.08924 0.34592 0.03414
154 9XZ 0.36641 0.08924 0.34592 -0.08924 0.03414
155 9YZ -0.75764 0.34592 0.08924 0.08924 -0.03414
151 152 153 154 155
(A1)--V (T2)--V (T2)--V (T2)--V (A1)--V
Eigenvalues -- 8.88241 10.44953 10.44953 10.44953 31.91718
1 1 C 1S -0.11693 0.00000 0.00000 0.00000 4.19072
2 2S 8.68476 0.00000 0.00000 0.00000 31.07958
3 3S -2.12875 0.00000 0.00000 0.00000 -0.03360
4 4S 33.60646 0.00000 0.00000 0.00000 45.89542
5 5S 0.00040 0.00000 0.00000 0.00000 -4.78716
6 6PX 0.00000 0.00000 0.00000 -4.82893 0.00000
7 6PY 0.00000 0.00000 -4.82893 0.00000 0.00000
8 6PZ 0.00000 -4.82893 0.00000 0.00000 0.00000
9 7PX 0.00000 0.00000 0.00000 30.91719 0.00000
10 7PY 0.00000 0.00000 30.91719 0.00000 0.00000
11 7PZ 0.00000 30.91719 0.00000 0.00000 0.00000
12 8PX 0.00000 0.00000 0.00000 17.81777 0.00000
13 8PY 0.00000 0.00000 17.81777 0.00000 0.00000
14 8PZ 0.00000 17.81777 0.00000 0.00000 0.00000
15 9PX 0.00000 0.00000 0.00000 0.92199 0.00000
16 9PY 0.00000 0.00000 0.92199 0.00000 0.00000
17 9PZ 0.00000 0.92199 0.00000 0.00000 0.00000
18 10XX -4.09816 0.00000 0.00000 0.00000 -3.18198
19 10YY -4.09816 0.00000 0.00000 0.00000 -3.18198
20 10ZZ -4.09816 0.00000 0.00000 0.00000 -3.18198
21 10XY 0.00000 0.02008 0.00000 0.00000 0.00000
22 10XZ 0.00000 0.00000 0.02008 0.00000 0.00000
23 10YZ 0.00000 0.00000 0.00000 0.02008 0.00000
24 11XX -5.49875 0.00000 0.00000 0.00000 2.01482
25 11YY -5.49875 0.00000 0.00000 0.00000 2.01482
26 11ZZ -5.49875 0.00000 0.00000 0.00000 2.01482
27 11XY 0.00000 7.47852 0.00000 0.00000 0.00000
28 11XZ 0.00000 0.00000 7.47852 0.00000 0.00000
29 11YZ 0.00000 0.00000 0.00000 7.47852 0.00000
30 12XX 3.70165 0.00000 0.00000 0.00000 9.34725
31 12YY 3.70165 0.00000 0.00000 0.00000 9.34725
32 12ZZ 3.70165 0.00000 0.00000 0.00000 9.34725
33 12XY 0.00000 2.12756 0.00000 0.00000 0.00000
34 12XZ 0.00000 0.00000 2.12756 0.00000 0.00000
35 12YZ 0.00000 0.00000 0.00000 2.12756 0.00000
36 13XXX 0.00000 0.00000 0.00000 -10.29887 0.00000
37 13YYY 0.00000 0.00000 -10.29887 0.00000 0.00000
38 13ZZZ 0.00000 -10.29887 0.00000 0.00000 0.00000
39 13XYY 0.00000 0.00000 0.00000 -4.33072 0.00000
40 13XXY 0.00000 0.00000 -4.33072 0.00000 0.00000
41 13XXZ 0.00000 -4.33072 0.00000 0.00000 0.00000
42 13XZZ 0.00000 0.00000 0.00000 -4.33072 0.00000
43 13YZZ 0.00000 0.00000 -4.33072 0.00000 0.00000
44 13YYZ 0.00000 -4.33072 0.00000 0.00000 0.00000
45 13XYZ -0.36360 0.00000 0.00000 0.00000 0.93715
46 14XXX 0.00000 0.00000 0.00000 -6.54296 0.00000
47 14YYY 0.00000 0.00000 -6.54296 0.00000 0.00000
48 14ZZZ 0.00000 -6.54296 0.00000 0.00000 0.00000
49 14XYY 0.00000 0.00000 0.00000 -0.87953 0.00000
50 14XXY 0.00000 0.00000 -0.87953 0.00000 0.00000
51 14XXZ 0.00000 -0.87953 0.00000 0.00000 0.00000
52 14XZZ 0.00000 0.00000 0.00000 -0.87953 0.00000
53 14YZZ 0.00000 0.00000 -0.87953 0.00000 0.00000
54 14YYZ 0.00000 -0.87953 0.00000 0.00000 0.00000
55 14XYZ -0.47692 0.00000 0.00000 0.00000 0.79880
56 2 H 1S 0.06583 0.21968 0.21968 0.21968 0.35147
57 2S 2.55081 -9.30043 -9.30043 -9.30043 -6.22646
58 3S -10.50637 -13.58674 -13.58674 -13.58674 -19.27640
59 4S -0.04535 -0.62610 -0.62610 -0.62610 0.18119
60 5PX -0.14215 -0.07662 -0.07662 -0.11204 0.06833
61 5PY -0.14215 -0.07662 -0.11204 -0.07662 0.06833
62 5PZ -0.14215 -0.11204 -0.07662 -0.07662 0.06833
63 6PX -0.27303 2.18933 2.18933 2.76280 2.54826
64 6PY -0.27303 2.18933 2.76280 2.18933 2.54826
65 6PZ -0.27303 2.76280 2.18933 2.18933 2.54826
66 7PX 1.34125 1.86189 1.86189 1.83804 2.51410
67 7PY 1.34125 1.86189 1.83804 1.86189 2.51410
68 7PZ 1.34125 1.83804 1.86189 1.86189 2.51410
69 8XX 0.17995 0.09181 0.09181 -0.03065 0.16977
70 8YY 0.17995 0.09181 -0.03065 0.09181 0.16977
71 8ZZ 0.17995 -0.03065 0.09181 0.09181 0.16977
72 8XY 0.16744 -0.09398 -0.09074 -0.09074 -0.18285
73 8XZ 0.16744 -0.09074 -0.09398 -0.09074 -0.18285
74 8YZ 0.16744 -0.09074 -0.09074 -0.09398 -0.18285
75 9XX 0.52102 0.50087 0.50087 0.61348 1.17973
76 9YY 0.52102 0.50087 0.61348 0.50087 1.17973
77 9ZZ 0.52102 0.61348 0.50087 0.50087 1.17973
78 9XY -0.21031 -0.32747 -0.42471 -0.42471 -0.73755
79 9XZ -0.21031 -0.42471 -0.32747 -0.42471 -0.73755
80 9YZ -0.21031 -0.42471 -0.42471 -0.32747 -0.73755
81 3 H 1S 0.06583 0.21968 -0.21968 -0.21968 0.35147
82 2S 2.55081 -9.30043 9.30043 9.30043 -6.22646
83 3S -10.50637 -13.58674 13.58674 13.58674 -19.27640
84 4S -0.04535 -0.62610 0.62610 0.62610 0.18119
85 5PX 0.14215 0.07662 -0.07662 -0.11204 -0.06833
86 5PY 0.14215 0.07662 -0.11204 -0.07662 -0.06833
87 5PZ -0.14215 -0.11204 0.07662 0.07662 0.06833
88 6PX 0.27303 -2.18933 2.18933 2.76280 -2.54826
89 6PY 0.27303 -2.18933 2.76280 2.18933 -2.54826
90 6PZ -0.27303 2.76280 -2.18933 -2.18933 2.54826
91 7PX -1.34125 -1.86189 1.86189 1.83804 -2.51410
92 7PY -1.34125 -1.86189 1.83804 1.86189 -2.51410
93 7PZ 1.34125 1.83804 -1.86189 -1.86189 2.51410
94 8XX 0.17995 0.09181 -0.09181 0.03065 0.16977
95 8YY 0.17995 0.09181 0.03065 -0.09181 0.16977
96 8ZZ 0.17995 -0.03065 -0.09181 -0.09181 0.16977
97 8XY 0.16744 -0.09398 0.09074 0.09074 -0.18285
98 8XZ -0.16744 0.09074 -0.09398 -0.09074 0.18285
99 8YZ -0.16744 0.09074 -0.09074 -0.09398 0.18285
100 9XX 0.52102 0.50087 -0.50087 -0.61348 1.17973
101 9YY 0.52102 0.50087 -0.61348 -0.50087 1.17973
102 9ZZ 0.52102 0.61348 -0.50087 -0.50087 1.17973
103 9XY -0.21031 -0.32747 0.42471 0.42471 -0.73755
104 9XZ 0.21031 0.42471 -0.32747 -0.42471 0.73755
105 9YZ 0.21031 0.42471 -0.42471 -0.32747 0.73755
106 4 H 1S 0.06583 -0.21968 0.21968 -0.21968 0.35147
107 2S 2.55081 9.30043 -9.30043 9.30043 -6.22646
108 3S -10.50637 13.58674 -13.58674 13.58674 -19.27640
109 4S -0.04535 0.62610 -0.62610 0.62610 0.18119
110 5PX 0.14215 -0.07662 0.07662 -0.11204 -0.06833
111 5PY -0.14215 0.07662 -0.11204 0.07662 0.06833
112 5PZ 0.14215 -0.11204 0.07662 -0.07662 -0.06833
113 6PX 0.27303 2.18933 -2.18933 2.76280 -2.54826
114 6PY -0.27303 -2.18933 2.76280 -2.18933 2.54826
115 6PZ 0.27303 2.76280 -2.18933 2.18933 -2.54826
116 7PX -1.34125 1.86189 -1.86189 1.83804 -2.51410
117 7PY 1.34125 -1.86189 1.83804 -1.86189 2.51410
118 7PZ -1.34125 1.83804 -1.86189 1.86189 -2.51410
119 8XX 0.17995 -0.09181 0.09181 0.03065 0.16977
120 8YY 0.17995 -0.09181 -0.03065 -0.09181 0.16977
121 8ZZ 0.17995 0.03065 0.09181 -0.09181 0.16977
122 8XY -0.16744 -0.09398 0.09074 -0.09074 0.18285
123 8XZ 0.16744 0.09074 -0.09398 0.09074 -0.18285
124 8YZ -0.16744 -0.09074 0.09074 -0.09398 0.18285
125 9XX 0.52102 -0.50087 0.50087 -0.61348 1.17973
126 9YY 0.52102 -0.50087 0.61348 -0.50087 1.17973
127 9ZZ 0.52102 -0.61348 0.50087 -0.50087 1.17973
128 9XY 0.21031 -0.32747 0.42471 -0.42471 0.73755
129 9XZ -0.21031 0.42471 -0.32747 0.42471 -0.73755
130 9YZ 0.21031 -0.42471 0.42471 -0.32747 0.73755
131 5 H 1S 0.06583 -0.21968 -0.21968 0.21968 0.35147
132 2S 2.55081 9.30043 9.30043 -9.30043 -6.22646
133 3S -10.50637 13.58674 13.58674 -13.58674 -19.27640
134 4S -0.04535 0.62610 0.62610 -0.62610 0.18119
135 5PX -0.14215 0.07662 0.07662 -0.11204 0.06833
136 5PY 0.14215 -0.07662 -0.11204 0.07662 -0.06833
137 5PZ 0.14215 -0.11204 -0.07662 0.07662 -0.06833
138 6PX -0.27303 -2.18933 -2.18933 2.76280 2.54826
139 6PY 0.27303 2.18933 2.76280 -2.18933 -2.54826
140 6PZ 0.27303 2.76280 2.18933 -2.18933 -2.54826
141 7PX 1.34125 -1.86189 -1.86189 1.83804 2.51410
142 7PY -1.34125 1.86189 1.83804 -1.86189 -2.51410
143 7PZ -1.34125 1.83804 1.86189 -1.86189 -2.51410
144 8XX 0.17995 -0.09181 -0.09181 -0.03065 0.16977
145 8YY 0.17995 -0.09181 0.03065 0.09181 0.16977
146 8ZZ 0.17995 0.03065 -0.09181 0.09181 0.16977
147 8XY -0.16744 -0.09398 -0.09074 0.09074 0.18285
148 8XZ -0.16744 -0.09074 -0.09398 0.09074 0.18285
149 8YZ 0.16744 0.09074 0.09074 -0.09398 -0.18285
150 9XX 0.52102 -0.50087 -0.50087 0.61348 1.17973
151 9YY 0.52102 -0.50087 -0.61348 0.50087 1.17973
152 9ZZ 0.52102 -0.61348 -0.50087 0.50087 1.17973
153 9XY 0.21031 -0.32747 -0.42471 0.42471 0.73755
154 9XZ 0.21031 -0.42471 -0.32747 0.42471 0.73755
155 9YZ -0.21031 0.42471 0.42471 -0.32747 -0.73755
Condensed to atoms (all electrons):
1 2 3 4 5
1 C 5.843617 0.363782 0.363782 0.363782 0.363782
2 H 0.363782 0.324492 -0.004320 -0.004320 -0.004320
3 H 0.363782 -0.004320 0.324492 -0.004320 -0.004320
4 H 0.363782 -0.004320 -0.004320 0.324492 -0.004320
5 H 0.363782 -0.004320 -0.004320 -0.004320 0.324492
Mulliken atomic charges:
1
1 C -1.298746
2 H 0.324686
3 H 0.324686
4 H 0.324686
5 H 0.324686
Sum of Mulliken atomic charges = 0.00000
Mulliken charges with hydrogens summed into heavy atoms:
1
1 C 0.000000
Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000
APT atomic charges:
1
1 C 0.080444
2 H -0.020111
3 H -0.020111
4 H -0.020111
5 H -0.020111
Sum of APT charges= 0.00000
APT Atomic charges with hydrogens summed into heavy atoms:
1
1 C 0.000000
2 H 0.000000
3 H 0.000000
4 H 0.000000
5 H 0.000000
Sum of APT charges= 0.00000
Electronic spatial extent (au): <R**2>= 35.7103
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.0000 Y= 0.0000 Z= 0.0000 Tot= 0.0000
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -8.4156 YY= -8.4156 ZZ= -8.4156
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= 0.0000 YY= 0.0000 ZZ= 0.0000
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= 0.0000 YYY= 0.0000 ZZZ= 0.0000 XYY= 0.0000
XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000
YYZ= 0.0000 XYZ= 0.7005
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -16.6667 YYYY= -16.6667 ZZZZ= -16.6667 XXXY= 0.0000
XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -4.9968 XXZZ= -4.9968 YYZZ= -4.9968
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000
N-N= 1.344772655922D+01 E-N=-1.199184731829D+02 KE= 4.016233282580D+01
Symmetry A KE= 3.445803417050D+01
Symmetry B1 KE= 1.901432885100D+00
Symmetry B2 KE= 1.901432885100D+00
Symmetry B3 KE= 1.901432885100D+00
Orbital energies and kinetic energies (alpha):
1 2
1 (A1)--O -11.206294 16.019008
2 (A1)--O -0.942735 1.210009
3 (T2)--O -0.544790 0.950716
4 (T2)--O -0.544790 0.950716
5 (T2)--O -0.544790 0.950716
6 (A1)--V 0.029084 0.054999
7 (T2)--V 0.049865 0.060167
8 (T2)--V 0.049865 0.060167
9 (T2)--V 0.049865 0.060167
10 (T2)--V 0.120049 0.139100
11 (T2)--V 0.120049 0.139100
12 (T2)--V 0.120049 0.139100
13 (A1)--V 0.129557 0.239318
14 (T2)--V 0.219092 0.338990
15 (T2)--V 0.219092 0.338990
16 (T2)--V 0.219092 0.338990
17 (E)--V 0.222980 0.243244
18 (E)--V 0.222980 0.243244
19 (A1)--V 0.292223 0.412446
20 (T2)--V 0.320537 0.413368
21 (T2)--V 0.320537 0.413368
22 (T2)--V 0.320537 0.413368
23 (T1)--V 0.353948 0.360941
24 (T1)--V 0.353948 0.360941
25 (T1)--V 0.353948 0.360941
26 (A1)--V 0.356607 0.506433
27 (T2)--V 0.388089 0.413805
28 (T2)--V 0.388089 0.413805
29 (T2)--V 0.388089 0.413805
30 (T2)--V 0.445506 0.643186
31 (T2)--V 0.445506 0.643186
32 (T2)--V 0.445506 0.643186
33 (E)--V 0.500402 0.573747
34 (E)--V 0.500402 0.573747
35 (T2)--V 0.520577 0.727968
36 (T2)--V 0.520577 0.727968
37 (T2)--V 0.520577 0.727968
38 (A1)--V 0.543436 0.849958
39 (T2)--V 0.734815 1.087522
40 (T2)--V 0.734815 1.087522
41 (T2)--V 0.734815 1.087522
42 (A1)--V 0.736040 0.913080
43 (T1)--V 0.892915 0.957179
44 (T1)--V 0.892915 0.957179
45 (T1)--V 0.892915 0.957179
46 (A1)--V 0.927075 1.525552
47 (T2)--V 0.933445 1.168723
48 (T2)--V 0.933445 1.168723
49 (T2)--V 0.933445 1.168723
50 (E)--V 0.969886 1.078539
51 (E)--V 0.969886 1.078539
52 (T2)--V 1.041794 1.183153
53 (T2)--V 1.041794 1.183153
54 (T2)--V 1.041794 1.183153
55 (T1)--V 1.086214 1.113933
56 (T1)--V 1.086214 1.113933
57 (T1)--V 1.086214 1.113933
58 (T2)--V 1.103933 1.257130
59 (T2)--V 1.103933 1.257130
60 (T2)--V 1.103933 1.257130
61 (E)--V 1.118886 1.260308
62 (E)--V 1.118886 1.260308
63 (E)--V 1.264459 1.333379
64 (E)--V 1.264459 1.333379
65 (A1)--V 1.272204 1.678328
66 (T2)--V 1.272513 1.387455
67 (T2)--V 1.272513 1.387455
68 (T2)--V 1.272513 1.387455
69 (T2)--V 1.409795 1.959770
70 (T2)--V 1.409795 1.959770
71 (T2)--V 1.409795 1.959770
72 (A1)--V 1.461704 1.552065
73 (T1)--V 1.619113 1.728791
74 (T1)--V 1.619113 1.728791
75 (T1)--V 1.619113 1.728791
76 (T2)--V 1.745720 1.895343
77 (T2)--V 1.745720 1.895343
78 (T2)--V 1.745720 1.895343
79 (A1)--V 1.785958 2.400398
80 (T2)--V 1.888493 2.159520
81 (T2)--V 1.888493 2.159520
82 (T2)--V 1.888493 2.159520
83 (T1)--V 1.927953 2.054154
84 (T1)--V 1.927953 2.054154
85 (T1)--V 1.927953 2.054154
86 (A1)--V 2.045712 2.492528
87 (T2)--V 2.185429 2.468956
88 (T2)--V 2.185429 2.468956
89 (T2)--V 2.185429 2.468956
90 (E)--V 2.240472 2.482617
91 (E)--V 2.240472 2.482617
92 (T2)--V 2.320756 2.900788
93 (T2)--V 2.320756 2.900788
94 (T2)--V 2.320756 2.900788
95 (A1)--V 2.719084 3.499424
96 (T2)--V 3.421897 4.375856
97 (T2)--V 3.421897 4.375856
98 (T2)--V 3.421897 4.375856
99 (E)--V 3.488968 4.265236
100 (E)--V 3.488968 4.265236
101 (T1)--V 3.576376 4.036194
102 (T1)--V 3.576376 4.036194
103 (T1)--V 3.576376 4.036194
104 (T2)--V 3.705588 4.804618
105 (T2)--V 3.705588 4.804618
106 (T2)--V 3.705588 4.804618
107 (T2)--V 3.899265 5.144992
108 (T2)--V 3.899265 5.144992
109 (T2)--V 3.899265 5.144992
110 (A1)--V 3.930272 5.602279
111 (T1)--V 4.068278 4.372475
112 (T1)--V 4.068278 4.372475
113 (T1)--V 4.068278 4.372475
114 (E)--V 4.117182 4.429194
115 (E)--V 4.117182 4.429194
116 (T2)--V 4.127200 4.951307
117 (T2)--V 4.127200 4.951307
118 (T2)--V 4.127200 4.951307
119 (A1)--V 4.280737 4.945486
120 (T2)--V 4.600150 4.957372
121 (T2)--V 4.600150 4.957372
122 (T2)--V 4.600150 4.957372
123 (E)--V 4.758459 5.439710
124 (E)--V 4.758459 5.439710
125 (T1)--V 4.856814 5.195110
126 (T1)--V 4.856814 5.195110
127 (T1)--V 4.856814 5.195110
128 (T2)--V 4.945389 5.616357
129 (T2)--V 4.945389 5.616357
130 (T2)--V 4.945389 5.616357
131 (T2)--V 5.155558 5.596646
132 (T2)--V 5.155558 5.596646
133 (T2)--V 5.155558 5.596646
134 (A1)--V 5.230887 6.375293
135 (T1)--V 5.636168 6.177557
136 (T1)--V 5.636168 6.177557
137 (T1)--V 5.636168 6.177557
138 (E)--V 5.813726 6.266483
139 (E)--V 5.813726 6.266483
140 (T2)--V 5.833576 6.544844
141 (T2)--V 5.833576 6.544844
142 (T2)--V 5.833576 6.544844
143 (A1)--V 5.946294 7.123976
144 (T2)--V 6.693242 7.360268
145 (T2)--V 6.693242 7.360268
146 (T2)--V 6.693242 7.360268
147 (T2)--V 7.384633 8.285341
148 (T2)--V 7.384633 8.285341
149 (T2)--V 7.384633 8.285341
150 (A1)--V 7.584082 8.201878
151 (A1)--V 8.882412 13.823412
152 (T2)--V 10.449534 15.373465
153 (T2)--V 10.449534 15.373465
154 (T2)--V 10.449534 15.373465
155 (A1)--V 31.917183 63.717393
Total kinetic energy from orbitals= 4.016233282580D+01
Exact polarizability: 16.049 0.000 16.049 0.000 0.000 16.049
Approx polarizability: 13.343 0.000 13.343 0.000 0.000 13.343
PrsmSu: requested number of processors reduced to: 4 ShMem 1 Linda.
Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
CoulSu: requested number of processors reduced to: 4 ShMem 1 Linda.
Full mass-weighted force constant matrix:
Low frequencies --- -0.0006 0.0008 0.0012 248.3239 248.3239 248.3239
Low frequencies --- 1466.0593 1466.0593 1466.0593
Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
activities (A**4/AMU), depolarization ratios for plane and unpolarized
incident light, reduced masses (AMU), force constants (mDyne/A),
and normal coordinates:
1 2 3 4 5
T2 T2 T2 E E
Frequencies --- 1466.0593 1466.0593 1466.0593 1669.7708 1669.7708
Reduced masses --- 1.1795 1.1795 1.1795 1.0078 1.0078
Force constants --- 1.4936 1.4936 1.4936 1.6556 1.6556
IR Intensities --- 8.7318 8.7318 8.7318 0.0000 0.0000
Raman Activities --- 0.0111 0.0111 0.0111 3.5330 3.5330
Depol. (Plane) --- 0.7500 0.7500 0.7500 0.7500 0.7500
Depol. (Unpol) --- 0.8571 0.8571 0.8571 0.8571 0.8571
Coord Atom Element:
1 1 6 0.07214 -0.03159 0.09703 0.00000 0.00000
2 1 6 0.07215 -0.06825 -0.07585 0.00000 0.00000
3 1 6 0.07216 0.09981 -0.02116 0.00000 0.00000
1 2 1 0.05327 0.15263 -0.46900 -0.20836 -0.35108
2 2 1 0.05322 0.32985 0.36669 0.40822 -0.00490
3 2 1 0.05315 -0.48250 0.10232 -0.19986 0.35598
1 3 1 -0.21476 -0.21808 -0.39040 0.20836 0.35108
2 3 1 -0.21481 -0.04086 0.44529 -0.40822 0.00490
3 3 1 -0.48276 -0.11169 0.02366 -0.19986 0.35598
1 4 1 -0.21471 0.40612 -0.18726 0.20836 0.35108
2 4 1 -0.48275 0.07646 0.08489 0.40822 -0.00490
3 4 1 -0.21482 -0.22901 0.38406 0.19986 -0.35598
1 5 1 -0.48274 0.03541 -0.10866 -0.20836 -0.35108
2 5 1 -0.21472 0.44716 0.00630 -0.40822 0.00490
3 5 1 -0.21479 -0.36518 -0.25808 0.19986 -0.35598
6 7 8 9
A1 T2 T2 T2
Frequencies --- 3090.1471 3182.4723 3182.4723 3182.4723
Reduced masses --- 1.0078 1.1012 1.1012 1.1012
Force constants --- 5.6701 6.5713 6.5713 6.5713
IR Intensities --- 0.0000 39.1120 39.1120 39.1120
Raman Activities --- 234.6024 52.0303 52.0303 52.0303
Depol. (Plane) --- 0.0000 0.7500 0.7500 0.7500
Depol. (Unpol) --- 0.0000 0.8571 0.8571 0.8571
Coord Atom Element:
1 1 6 0.00000 0.03056 -0.06878 -0.05322
2 1 6 0.00000 -0.07484 0.00792 -0.05321
3 1 6 0.00000 0.04428 0.06085 -0.05322
1 2 1 -0.28868 0.00645 -0.01447 0.49762
2 2 1 -0.28868 -0.01572 0.00166 0.49762
3 2 1 -0.28868 0.00933 0.01279 0.49762
1 3 1 0.28868 0.28870 0.37341 0.15841
2 3 1 0.28868 0.26653 0.38955 0.15841
3 3 1 -0.28868 -0.27296 -0.37508 -0.18079
1 4 1 0.28868 -0.47061 0.03604 0.15843
2 4 1 -0.28868 0.46130 -0.04884 -0.18082
3 4 1 0.28868 -0.46773 0.06331 0.15843
1 5 1 -0.28868 -0.18836 0.42393 -0.18078
2 5 1 0.28868 0.17905 -0.43673 0.15840
3 5 1 0.28868 0.20410 -0.42559 0.15840
Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
activities (A**4/AMU), depolarization ratios for plane and unpolarized
incident light, reduced masses (AMU), force constants (mDyne/A),
and normal coordinates:
1 2 3
T2 T2 T2
Frequencies -- 1466.0593 1466.0593 1466.0593
Red. masses -- 1.1795 1.1795 1.1795
Frc consts -- 1.4936 1.4936 1.4936
IR Inten -- 8.7318 8.7318 8.7318
Raman Activ -- 0.0111 0.0111 0.0111
Depolar (P) -- 0.7500 0.7500 0.7500
Depolar (U) -- 0.8571 0.8571 0.8571
Atom AN X Y Z X Y Z X Y Z
1 6 0.07 0.07 0.07 -0.03 -0.07 0.10 0.10 -0.08 -0.02
2 1 0.05 0.05 0.05 0.15 0.33 -0.48 -0.47 0.37 0.10
3 1 -0.21 -0.21 -0.48 -0.22 -0.04 -0.11 -0.39 0.45 0.02
4 1 -0.21 -0.48 -0.21 0.41 0.08 -0.23 -0.19 0.08 0.38
5 1 -0.48 -0.21 -0.21 0.04 0.45 -0.37 -0.11 0.01 -0.26
4 5 6
E E A1
Frequencies -- 1669.7708 1669.7708 3090.1471
Red. masses -- 1.0078 1.0078 1.0078
Frc consts -- 1.6556 1.6556 5.6701
IR Inten -- 0.0000 0.0000 0.0000
Raman Activ -- 3.5330 3.5330 234.6024
Depolar (P) -- 0.7500 0.7500 0.0000
Depolar (U) -- 0.8571 0.8571 0.0000
Atom AN X Y Z X Y Z X Y Z
1 6 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
2 1 -0.21 0.41 -0.20 -0.35 0.00 0.36 -0.29 -0.29 -0.29
3 1 0.21 -0.41 -0.20 0.35 0.00 0.36 0.29 0.29 -0.29
4 1 0.21 0.41 0.20 0.35 0.00 -0.36 0.29 -0.29 0.29
5 1 -0.21 -0.41 0.20 -0.35 0.00 -0.36 -0.29 0.29 0.29
7 8 9
T2 T2 T2
Frequencies -- 3182.4723 3182.4723 3182.4723
Red. masses -- 1.1012 1.1012 1.1012
Frc consts -- 6.5713 6.5713 6.5713
IR Inten -- 39.1120 39.1120 39.1120
Raman Activ -- 52.0303 52.0303 52.0303
Depolar (P) -- 0.7500 0.7500 0.7500
Depolar (U) -- 0.8571 0.8571 0.8571
Atom AN X Y Z X Y Z X Y Z
1 6 0.03 -0.07 0.04 -0.07 0.01 0.06 -0.05 -0.05 -0.05
2 1 0.01 -0.02 0.01 -0.01 0.00 0.01 0.50 0.50 0.50
3 1 0.29 0.27 -0.27 0.37 0.39 -0.38 0.16 0.16 -0.18
4 1 -0.47 0.46 -0.47 0.04 -0.05 0.06 0.16 -0.18 0.16
5 1 -0.19 0.18 0.20 0.42 -0.44 -0.43 -0.18 0.16 0.16
-------------------
- Thermochemistry -
-------------------
Temperature 298.150 Kelvin. Pressure 1.00000 Atm.
Atom 1 has atomic number 6 and mass 12.00000
Atom 2 has atomic number 1 and mass 1.00783
Atom 3 has atomic number 1 and mass 1.00783
Atom 4 has atomic number 1 and mass 1.00783
Atom 5 has atomic number 1 and mass 1.00783
Molecular mass: 16.03130 amu.
Principal axes and moments of inertia in atomic units:
1 2 3
Eigenvalues -- 11.38171 11.38171 11.38171
X 0.13403 -0.19654 0.97129
Y 0.94970 0.30541 -0.06926
Z -0.28303 0.93172 0.22758
This molecule is a spherical top.
Rotational symmetry number 12.
Rotational temperatures (Kelvin) 7.60991 7.60991 7.60991
Rotational constants (GHZ): 158.56508 158.56508 158.56508
Zero-point vibrational energy 121871.3 (Joules/Mol)
29.12793 (Kcal/Mol)
Vibrational temperatures: 2109.33 2109.33 2109.33 2402.42 2402.42
(Kelvin) 4446.03 4578.86 4578.86 4578.86
Zero-point correction= 0.046418 (Hartree/Particle)
Thermal correction to Energy= 0.049273
Thermal correction to Enthalpy= 0.050217
Thermal correction to Gibbs Free Energy= 0.029108
Sum of electronic and zero-point Energies= -40.167324
Sum of electronic and thermal Energies= -40.164470
Sum of electronic and thermal Enthalpies= -40.163525
Sum of electronic and thermal Free Energies= -40.184634
E (Thermal) CV S
KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin
Total 30.919 6.297 44.428
Electronic 0.000 0.000 0.000
Translational 0.889 2.981 34.261
Rotational 0.889 2.981 10.114
Vibrational 29.142 0.335 0.052
Q Log10(Q) Ln(Q)
Total Bot 0.408665D-13 -13.388632 -30.828465
Total V=0 0.916776D+08 7.962263 18.333788
Vib (Bot) 0.447181D-21 -21.349517 -49.159079
Vib (V=0) 0.100318D+01 0.001378 0.003174
Electronic 0.100000D+01 0.000000 0.000000
Translational 0.252295D+07 6.401908 14.740939
Rotational 0.362223D+02 1.558976 3.589675
***** Axes restored to original set *****
-------------------------------------------------------------------
Center Atomic Forces (Hartrees/Bohr)
Number Number X Y Z
-------------------------------------------------------------------
1 6 0.000000000 0.000000000 0.000000000
2 1 0.000000000 0.000000000 -0.004839919
3 1 -0.004563119 0.000000000 0.001613306
4 1 0.002281560 0.003951777 0.001613306
5 1 0.002281560 -0.003951777 0.001613306
-------------------------------------------------------------------
Cartesian Forces: Max 0.004839919 RMS 0.002499323
-----------------------------------------------------------------------------------------------
Internal Coordinate Forces (Hartree/Bohr or radian)
Cent Atom N1 Length/X N2 Alpha/Y N3 Beta/Z J
-----------------------------------------------------------------------------------------------
1 C
2 H 1 -0.004840( 1)
3 H 1 -0.004840( 2) 2 0.000000( 5)
4 H 1 -0.004840( 3) 2 0.000000( 6) 3 0.000000( 8) 0
5 H 1 -0.004840( 4) 2 0.000000( 7) 3 0.000000( 9) 0
-----------------------------------------------------------------------------------------------
Internal Forces: Max 0.004839919 RMS 0.003226613
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Berny optimization.
Search for a local minimum.
Step number 1 out of a maximum of 2
All quantities printed in internal units (Hartrees-Bohrs-Radians)
Second derivative matrix not updated -- analytic derivatives used.
The second derivative matrix:
hc2 hc3 hch3 hc4 hch4
hc2 0.35427
hc3 0.00331 0.35427
hch3 0.01903 0.00000 0.21517
hc4 0.00331 0.00331 -0.00951 0.35427
hch4 0.01903 -0.00951 0.03251 0.00000 0.21517
dih4 0.00000 0.01554 -0.06130 0.00000 0.00000
hc5 0.00331 0.00331 -0.00951 0.00331 -0.00951
hch5 0.01903 -0.00951 0.03251 -0.00951 0.03251
dih5 0.00000 -0.01554 0.06130 0.01554 -0.06130
dih4 hc5 hch5 dih5
dih4 0.19126
hc5 -0.01554 0.35427
hch5 0.06130 0.00000 0.21517
dih5 -0.09563 0.00000 0.00000 0.19126
ITU= 0
Eigenvalues --- 0.06283 0.11439 0.21430 0.26361 0.33533
Eigenvalues --- 0.35212 0.36420 0.36754 0.37079
Angle between quadratic step and forces= 0.00 degrees.
Linear search not attempted -- first point.
Variable Old X -DE/DX Delta X Delta X Delta X New X
(Linear) (Quad) (Total)
hc2 2.05791 -0.00484 0.00000 -0.01329 -0.01329 2.04462
hc3 2.05791 -0.00484 0.00000 -0.01329 -0.01329 2.04462
hch3 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063
hc4 2.05791 -0.00484 0.00000 -0.01329 -0.01329 2.04462
hch4 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063
dih4 2.09440 0.00000 0.00000 0.00000 0.00000 2.09440
hc5 2.05791 -0.00484 0.00000 -0.01329 -0.01329 2.04462
hch5 1.91063 0.00000 0.00000 0.00000 0.00000 1.91063
dih5 -2.09440 0.00000 0.00000 0.00000 0.00000 -2.09440
Item Value Threshold Converged?
Maximum Force 0.004840 0.000450 NO
RMS Force 0.003227 0.000300 NO
Maximum Displacement 0.013289 0.001800 NO
RMS Displacement 0.008860 0.001200 NO
Predicted change in Energy=-1.286386D-04
GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
Test job not archived.
1\1\GINC-NODE001\Freq\RHF\Aug-CC-pVTZ\C1H4\RRL581A\24-Dec-2014\1\\#rhf
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SCIENCE SANS CONSCIENCE N'EST QUE RUINE DE L'AME.
-- RABELAIS
Job cpu time: 0 days 0 hours 3 minutes 42.0 seconds.
File lengths (MBytes): RWF= 286 Int= 0 D2E= 0 Chk= 4 Scr= 4
Normal termination of Gaussian 09 at Wed Dec 24 12:24:48 2014.
(5D15.8)
1 Alpha MO OE=-0.11206294D+02
0.97894241D+00-0.64752257D-02 0.49297826D-01-0.47099143D-01-0.26078159D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.18436681D-02 0.18436681D-02 0.18436681D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10655403D-01 0.10655403D-01
0.10655403D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.20122617D-02
-0.20122617D-02-0.20122617D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.84676801D-03
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.76236798D-03
0.44860510D-03-0.49125820D-02 0.10218260D-01 0.20287249D-03 0.35215853D-04
0.35215853D-04 0.35215853D-04 0.10180190D-02 0.10180190D-02 0.10180190D-02
-0.14054078D-02-0.14054078D-02-0.14054078D-02 0.25462169D-04 0.25462169D-04
0.25462169D-04-0.13690708D-03-0.13690708D-03-0.13690708D-03-0.44817531D-04
-0.44817531D-04-0.44817531D-04 0.19191932D-04 0.19191932D-04 0.19191932D-04
0.44860510D-03-0.49125820D-02 0.10218260D-01 0.20287249D-03-0.35215853D-04
-0.35215853D-04 0.35215853D-04-0.10180190D-02-0.10180190D-02 0.10180190D-02
0.14054078D-02 0.14054078D-02-0.14054078D-02 0.25462169D-04 0.25462169D-04
0.25462169D-04-0.13690708D-03 0.13690708D-03 0.13690708D-03-0.44817531D-04
-0.44817531D-04-0.44817531D-04 0.19191932D-04-0.19191932D-04-0.19191932D-04
0.44860510D-03-0.49125820D-02 0.10218260D-01 0.20287249D-03-0.35215853D-04
0.35215853D-04-0.35215853D-04-0.10180190D-02 0.10180190D-02-0.10180190D-02
0.14054078D-02-0.14054078D-02 0.14054078D-02 0.25462169D-04 0.25462169D-04
0.25462169D-04 0.13690708D-03-0.13690708D-03 0.13690708D-03-0.44817531D-04
-0.44817531D-04-0.44817531D-04-0.19191932D-04 0.19191932D-04-0.19191932D-04
0.44860510D-03-0.49125820D-02 0.10218260D-01 0.20287249D-03 0.35215853D-04
-0.35215853D-04-0.35215853D-04 0.10180190D-02-0.10180190D-02-0.10180190D-02
-0.14054078D-02 0.14054078D-02 0.14054078D-02 0.25462169D-04 0.25462169D-04
0.25462169D-04 0.13690708D-03 0.13690708D-03-0.13690708D-03-0.44817531D-04
-0.44817531D-04-0.44817531D-04-0.19191932D-04-0.19191932D-04 0.19191932D-04
2 Alpha MO OE=-0.94273455D+00
-0.17745971D+00 0.43307533D+00 0.10177562D+00 0.33007692D+00-0.17043199D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.32698136D-02 0.32698136D-02 0.32698136D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12402885D-01 0.12402885D-01
0.12402885D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.27779540D-01
0.27779540D-01 0.27779540D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.64582256D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.53745355D-02
0.84111109D-01 0.85407260D-01-0.45386962D-01 0.77036722D-03-0.52307864D-02
-0.52307864D-02-0.52307864D-02-0.17986748D-03-0.17986748D-03-0.17986748D-03
0.92043452D-02 0.92043452D-02 0.92043452D-02 0.13218759D-02 0.13218759D-02
0.13218759D-02 0.98758482D-03 0.98758482D-03 0.98758482D-03 0.35176168D-02
0.35176168D-02 0.35176168D-02-0.25656884D-02-0.25656884D-02-0.25656884D-02
0.84111109D-01 0.85407260D-01-0.45386962D-01 0.77036722D-03 0.52307864D-02
0.52307864D-02-0.52307864D-02 0.17986748D-03 0.17986748D-03-0.17986748D-03
-0.92043452D-02-0.92043452D-02 0.92043452D-02 0.13218759D-02 0.13218759D-02
0.13218759D-02 0.98758482D-03-0.98758482D-03-0.98758482D-03 0.35176168D-02
0.35176168D-02 0.35176168D-02-0.25656884D-02 0.25656884D-02 0.25656884D-02
0.84111109D-01 0.85407260D-01-0.45386962D-01 0.77036722D-03 0.52307864D-02
-0.52307864D-02 0.52307864D-02 0.17986748D-03-0.17986748D-03 0.17986748D-03
-0.92043452D-02 0.92043452D-02-0.92043452D-02 0.13218759D-02 0.13218759D-02
0.13218759D-02-0.98758482D-03 0.98758482D-03-0.98758482D-03 0.35176168D-02
0.35176168D-02 0.35176168D-02 0.25656884D-02-0.25656884D-02 0.25656884D-02
0.84111109D-01 0.85407260D-01-0.45386962D-01 0.77036722D-03-0.52307864D-02
0.52307864D-02 0.52307864D-02-0.17986748D-03 0.17986748D-03 0.17986748D-03
0.92043452D-02-0.92043452D-02-0.92043452D-02 0.13218759D-02 0.13218759D-02
0.13218759D-02-0.98758482D-03-0.98758482D-03 0.98758482D-03 0.35176168D-02
0.35176168D-02 0.35176168D-02 0.25656884D-02 0.25656884D-02-0.25656884D-02
3 Alpha MO OE=-0.54478994D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.23960577D+00 0.00000000D+00 0.00000000D+00
0.31068897D+00 0.00000000D+00 0.00000000D+00 0.13623605D+00 0.00000000D+00
0.00000000D+00 0.96030626D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.18560829D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.59543204D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.15713572D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.11804727D-01 0.00000000D+00 0.00000000D+00
0.76969731D-02 0.00000000D+00 0.00000000D+00 0.76969731D-02 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.19086696D-01 0.00000000D+00 0.00000000D+00
0.21765044D-01 0.00000000D+00 0.00000000D+00 0.21765044D-01 0.00000000D+00
0.10266618D+00 0.11016646D+00 0.21757769D-01-0.30848198D-02-0.60677474D-02
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0.37249972D-02 0.37249972D-02 0.10045237D-01 0.17023973D-02 0.17023973D-02
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0.45484036D-02 0.40185651D-02 0.10154302D-03-0.21332658D-02-0.21332658D-02
0.10266618D+00 0.11016646D+00 0.21757769D-01-0.30848198D-02 0.60677474D-02
0.60677474D-02-0.12419057D-02 0.93206742D-03 0.93206742D-03 0.13790499D-01
-0.37249972D-02-0.37249972D-02 0.10045237D-01 0.17023973D-02 0.17023973D-02
-0.46782603D-03 0.15935302D-02-0.42312596D-03-0.42312596D-03 0.45484036D-02
0.45484036D-02 0.40185651D-02 0.10154302D-03 0.21332658D-02 0.21332658D-02
-0.10266618D+00-0.11016646D+00-0.21757769D-01 0.30848198D-02-0.60677474D-02
0.60677474D-02-0.12419057D-02-0.93206742D-03 0.93206742D-03 0.13790499D-01
0.37249972D-02-0.37249972D-02 0.10045237D-01-0.17023973D-02-0.17023973D-02
0.46782603D-03 0.15935302D-02-0.42312596D-03 0.42312596D-03-0.45484036D-02
-0.45484036D-02-0.40185651D-02 0.10154302D-03 0.21332658D-02-0.21332658D-02
-0.10266618D+00-0.11016646D+00-0.21757769D-01 0.30848198D-02 0.60677474D-02
-0.60677474D-02-0.12419057D-02 0.93206742D-03-0.93206742D-03 0.13790499D-01
-0.37249972D-02 0.37249972D-02 0.10045237D-01-0.17023973D-02-0.17023973D-02
0.46782603D-03 0.15935302D-02 0.42312596D-03-0.42312596D-03-0.45484036D-02
-0.45484036D-02-0.40185651D-02 0.10154302D-03-0.21332658D-02 0.21332658D-02
4 Alpha MO OE=-0.54478994D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.23960577D+00 0.00000000D+00 0.00000000D+00 0.31068897D+00 0.00000000D+00
0.00000000D+00 0.13623605D+00 0.00000000D+00 0.00000000D+00 0.96030626D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.18560829D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.59543204D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15713572D-01
0.11804727D-01 0.00000000D+00 0.00000000D+00 0.76969731D-02 0.00000000D+00
0.00000000D+00 0.76969731D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.19086696D-01 0.00000000D+00 0.00000000D+00 0.21765044D-01 0.00000000D+00
0.00000000D+00 0.21765044D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.10266618D+00 0.11016646D+00 0.21757769D-01-0.30848198D-02-0.12419057D-02
-0.60677474D-02-0.60677474D-02 0.13790499D-01-0.93206742D-03-0.93206742D-03
0.10045237D-01 0.37249972D-02 0.37249972D-02-0.46782603D-03 0.17023973D-02
0.17023973D-02 0.42312596D-03 0.42312596D-03 0.15935302D-02 0.40185651D-02
0.45484036D-02 0.45484036D-02-0.21332658D-02-0.21332658D-02 0.10154302D-03
-0.10266618D+00-0.11016646D+00-0.21757769D-01 0.30848198D-02-0.12419057D-02
-0.60677474D-02 0.60677474D-02 0.13790499D-01-0.93206742D-03 0.93206742D-03
0.10045237D-01 0.37249972D-02-0.37249972D-02 0.46782603D-03-0.17023973D-02
-0.17023973D-02-0.42312596D-03 0.42312596D-03 0.15935302D-02-0.40185651D-02
-0.45484036D-02-0.45484036D-02 0.21332658D-02-0.21332658D-02 0.10154302D-03
-0.10266618D+00-0.11016646D+00-0.21757769D-01 0.30848198D-02-0.12419057D-02
0.60677474D-02-0.60677474D-02 0.13790499D-01 0.93206742D-03-0.93206742D-03
0.10045237D-01-0.37249972D-02 0.37249972D-02 0.46782603D-03-0.17023973D-02
-0.17023973D-02 0.42312596D-03-0.42312596D-03 0.15935302D-02-0.40185651D-02
-0.45484036D-02-0.45484036D-02-0.21332658D-02 0.21332658D-02 0.10154302D-03
0.10266618D+00 0.11016646D+00 0.21757769D-01-0.30848198D-02-0.12419057D-02
0.60677474D-02 0.60677474D-02 0.13790499D-01 0.93206742D-03 0.93206742D-03
0.10045237D-01-0.37249972D-02-0.37249972D-02-0.46782603D-03 0.17023973D-02
0.17023973D-02-0.42312596D-03-0.42312596D-03 0.15935302D-02 0.40185651D-02
0.45484036D-02 0.45484036D-02 0.21332658D-02 0.21332658D-02 0.10154302D-03
5 Alpha MO OE=-0.54478994D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.23960577D+00 0.00000000D+00 0.00000000D+00 0.31068897D+00
0.00000000D+00 0.00000000D+00 0.13623605D+00 0.00000000D+00 0.00000000D+00
0.96030626D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.18560829D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.59543204D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15713572D-01 0.00000000D+00
0.00000000D+00 0.11804727D-01 0.00000000D+00 0.00000000D+00 0.76969731D-02
0.00000000D+00 0.00000000D+00 0.76969731D-02 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.19086696D-01 0.00000000D+00 0.00000000D+00 0.21765044D-01
0.00000000D+00 0.00000000D+00 0.21765044D-01 0.00000000D+00 0.00000000D+00
0.10266618D+00 0.11016646D+00 0.21757769D-01-0.30848198D-02-0.60677474D-02
-0.12419057D-02-0.60677474D-02-0.93206742D-03 0.13790499D-01-0.93206742D-03
0.37249972D-02 0.10045237D-01 0.37249972D-02 0.17023973D-02-0.46782603D-03
0.17023973D-02 0.42312596D-03 0.15935302D-02 0.42312596D-03 0.45484036D-02
0.40185651D-02 0.45484036D-02-0.21332658D-02 0.10154302D-03-0.21332658D-02
-0.10266618D+00-0.11016646D+00-0.21757769D-01 0.30848198D-02-0.60677474D-02
-0.12419057D-02 0.60677474D-02-0.93206742D-03 0.13790499D-01 0.93206742D-03
0.37249972D-02 0.10045237D-01-0.37249972D-02-0.17023973D-02 0.46782603D-03
-0.17023973D-02-0.42312596D-03 0.15935302D-02 0.42312596D-03-0.45484036D-02
-0.40185651D-02-0.45484036D-02 0.21332658D-02 0.10154302D-03-0.21332658D-02
0.10266618D+00 0.11016646D+00 0.21757769D-01-0.30848198D-02 0.60677474D-02
-0.12419057D-02 0.60677474D-02 0.93206742D-03 0.13790499D-01 0.93206742D-03
-0.37249972D-02 0.10045237D-01-0.37249972D-02 0.17023973D-02-0.46782603D-03
0.17023973D-02-0.42312596D-03 0.15935302D-02-0.42312596D-03 0.45484036D-02
0.40185651D-02 0.45484036D-02 0.21332658D-02 0.10154302D-03 0.21332658D-02
-0.10266618D+00-0.11016646D+00-0.21757769D-01 0.30848198D-02 0.60677474D-02
-0.12419057D-02-0.60677474D-02 0.93206742D-03 0.13790499D-01-0.93206742D-03
-0.37249972D-02 0.10045237D-01 0.37249972D-02-0.17023973D-02 0.46782603D-03
-0.17023973D-02 0.42312596D-03 0.15935302D-02-0.42312596D-03-0.45484036D-02
-0.40185651D-02-0.45484036D-02-0.21332658D-02 0.10154302D-03 0.21332658D-02
6 Alpha MO OE= 0.29083784D-01
0.25010523D-01-0.65935228D-01 0.27599603D-01 0.10526373D+02-0.66251595D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.54765013D-02 0.54765013D-02 0.54765013D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.50061693D-01 0.50061693D-01
0.50061693D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.25725940D+01
0.25725940D+01 0.25725940D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.57068873D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.11060736D-01
-0.25030928D-02 0.23968801D+00-0.34008355D+01 0.10085863D+01 0.15535026D-03
0.15535026D-03 0.15535026D-03-0.44078686D-02-0.44078686D-02-0.44078686D-02
0.44633492D+00 0.44633492D+00 0.44633492D+00 0.11544870D-03 0.11544870D-03
0.11544870D-03 0.13903102D-02 0.13903102D-02 0.13903102D-02 0.71162208D-01
0.71162208D-01 0.71162208D-01-0.13915005D-01-0.13915005D-01-0.13915005D-01
-0.25030928D-02 0.23968801D+00-0.34008355D+01 0.10085863D+01-0.15535026D-03
-0.15535026D-03 0.15535026D-03 0.44078686D-02 0.44078686D-02-0.44078686D-02
-0.44633492D+00-0.44633492D+00 0.44633492D+00 0.11544870D-03 0.11544870D-03
0.11544870D-03 0.13903102D-02-0.13903102D-02-0.13903102D-02 0.71162208D-01
0.71162208D-01 0.71162208D-01-0.13915005D-01 0.13915005D-01 0.13915005D-01
-0.25030928D-02 0.23968801D+00-0.34008355D+01 0.10085863D+01-0.15535026D-03
0.15535026D-03-0.15535026D-03 0.44078686D-02-0.44078686D-02 0.44078686D-02
-0.44633492D+00 0.44633492D+00-0.44633492D+00 0.11544870D-03 0.11544870D-03
0.11544870D-03-0.13903102D-02 0.13903102D-02-0.13903102D-02 0.71162208D-01
0.71162208D-01 0.71162208D-01 0.13915005D-01-0.13915005D-01 0.13915005D-01
-0.25030928D-02 0.23968801D+00-0.34008355D+01 0.10085863D+01 0.15535026D-03
-0.15535026D-03-0.15535026D-03-0.44078686D-02 0.44078686D-02 0.44078686D-02
0.44633492D+00-0.44633492D+00-0.44633492D+00 0.11544870D-03 0.11544870D-03
0.11544870D-03-0.13903102D-02-0.13903102D-02 0.13903102D-02 0.71162208D-01
0.71162208D-01 0.71162208D-01 0.13915005D-01 0.13915005D-01-0.13915005D-01
7 Alpha MO OE= 0.49865365D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.24195392D-01 0.00000000D+00 0.00000000D+00 0.27525222D+00 0.00000000D+00
0.00000000D+00-0.33145351D+01 0.00000000D+00 0.00000000D+00-0.21930186D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.33254772D-02 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.97827347D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.56754252D+00
0.10118650D-01 0.00000000D+00 0.00000000D+00 0.74033577D-02 0.00000000D+00
0.00000000D+00 0.74033577D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.33033021D+00 0.00000000D+00 0.00000000D+00 0.20102760D+00 0.00000000D+00
0.00000000D+00 0.20102760D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.15702256D-02-0.98102590D-01 0.27171155D+01 0.36720012D+01 0.63088264D-03
0.16239106D-02 0.16239106D-02 0.29065534D-01 0.11057792D-01 0.11057792D-01
-0.31918751D+00-0.44944163D+00-0.44944163D+00 0.16986503D-02 0.32394465D-02
0.32394465D-02-0.50636277D-03-0.50636277D-03-0.30400217D-03 0.41083293D-01
0.34305745D-01 0.34305745D-01 0.11825655D-02 0.11825655D-02 0.15879089D-01
0.15702256D-02 0.98102590D-01-0.27171155D+01-0.36720012D+01 0.63088264D-03
0.16239106D-02-0.16239106D-02 0.29065534D-01 0.11057792D-01-0.11057792D-01
-0.31918751D+00-0.44944163D+00 0.44944163D+00-0.16986503D-02-0.32394465D-02
-0.32394465D-02 0.50636277D-03-0.50636277D-03-0.30400217D-03-0.41083293D-01
-0.34305745D-01-0.34305745D-01-0.11825655D-02 0.11825655D-02 0.15879089D-01
0.15702256D-02 0.98102590D-01-0.27171155D+01-0.36720012D+01 0.63088264D-03
-0.16239106D-02 0.16239106D-02 0.29065534D-01-0.11057792D-01 0.11057792D-01
-0.31918751D+00 0.44944163D+00-0.44944163D+00-0.16986503D-02-0.32394465D-02
-0.32394465D-02-0.50636277D-03 0.50636277D-03-0.30400217D-03-0.41083293D-01
-0.34305745D-01-0.34305745D-01 0.11825655D-02-0.11825655D-02 0.15879089D-01
-0.15702256D-02-0.98102590D-01 0.27171155D+01 0.36720012D+01 0.63088264D-03
-0.16239106D-02-0.16239106D-02 0.29065534D-01-0.11057792D-01-0.11057792D-01
-0.31918751D+00 0.44944163D+00 0.44944163D+00 0.16986503D-02 0.32394465D-02
0.32394465D-02 0.50636277D-03 0.50636277D-03-0.30400217D-03 0.41083293D-01
0.34305745D-01 0.34305745D-01-0.11825655D-02-0.11825655D-02 0.15879089D-01
8 Alpha MO OE= 0.49865365D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.24195392D-01 0.00000000D+00 0.00000000D+00 0.27525222D+00
0.00000000D+00 0.00000000D+00-0.33145351D+01 0.00000000D+00 0.00000000D+00
-0.21930186D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.33254772D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.97827347D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.56754252D+00 0.00000000D+00
0.00000000D+00 0.10118650D-01 0.00000000D+00 0.00000000D+00 0.74033577D-02
0.00000000D+00 0.00000000D+00 0.74033577D-02 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.33033021D+00 0.00000000D+00 0.00000000D+00 0.20102760D+00
0.00000000D+00 0.00000000D+00 0.20102760D+00 0.00000000D+00 0.00000000D+00
-0.15702256D-02-0.98102590D-01 0.27171155D+01 0.36720012D+01 0.16239106D-02
0.63088264D-03 0.16239106D-02 0.11057792D-01 0.29065534D-01 0.11057792D-01
-0.44944163D+00-0.31918751D+00-0.44944163D+00 0.32394465D-02 0.16986503D-02
0.32394465D-02-0.50636277D-03-0.30400217D-03-0.50636277D-03 0.34305745D-01
0.41083293D-01 0.34305745D-01 0.11825655D-02 0.15879089D-01 0.11825655D-02
0.15702256D-02 0.98102590D-01-0.27171155D+01-0.36720012D+01 0.16239106D-02
0.63088264D-03-0.16239106D-02 0.11057792D-01 0.29065534D-01-0.11057792D-01
-0.44944163D+00-0.31918751D+00 0.44944163D+00-0.32394465D-02-0.16986503D-02
-0.32394465D-02 0.50636277D-03-0.30400217D-03-0.50636277D-03-0.34305745D-01
-0.41083293D-01-0.34305745D-01-0.11825655D-02 0.15879089D-01 0.11825655D-02
-0.15702256D-02-0.98102590D-01 0.27171155D+01 0.36720012D+01-0.16239106D-02
0.63088264D-03-0.16239106D-02-0.11057792D-01 0.29065534D-01-0.11057792D-01
0.44944163D+00-0.31918751D+00 0.44944163D+00 0.32394465D-02 0.16986503D-02
0.32394465D-02 0.50636277D-03-0.30400217D-03 0.50636277D-03 0.34305745D-01
0.41083293D-01 0.34305745D-01-0.11825655D-02 0.15879089D-01-0.11825655D-02
0.15702256D-02 0.98102590D-01-0.27171155D+01-0.36720012D+01-0.16239106D-02
0.63088264D-03 0.16239106D-02-0.11057792D-01 0.29065534D-01 0.11057792D-01
0.44944163D+00-0.31918751D+00-0.44944163D+00-0.32394465D-02-0.16986503D-02
-0.32394465D-02-0.50636277D-03-0.30400217D-03 0.50636277D-03-0.34305745D-01
-0.41083293D-01-0.34305745D-01 0.11825655D-02 0.15879089D-01-0.11825655D-02
9 Alpha MO OE= 0.49865365D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.24195392D-01 0.00000000D+00 0.00000000D+00
0.27525222D+00 0.00000000D+00 0.00000000D+00-0.33145351D+01 0.00000000D+00
0.00000000D+00-0.21930186D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.33254772D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.97827347D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.56754252D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.10118650D-01 0.00000000D+00 0.00000000D+00
0.74033577D-02 0.00000000D+00 0.00000000D+00 0.74033577D-02 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.33033021D+00 0.00000000D+00 0.00000000D+00
0.20102760D+00 0.00000000D+00 0.00000000D+00 0.20102760D+00 0.00000000D+00
-0.15702256D-02-0.98102590D-01 0.27171155D+01 0.36720012D+01 0.16239106D-02
0.16239106D-02 0.63088264D-03 0.11057792D-01 0.11057792D-01 0.29065534D-01
-0.44944163D+00-0.44944163D+00-0.31918751D+00 0.32394465D-02 0.32394465D-02
0.16986503D-02-0.30400217D-03-0.50636277D-03-0.50636277D-03 0.34305745D-01
0.34305745D-01 0.41083293D-01 0.15879089D-01 0.11825655D-02 0.11825655D-02
-0.15702256D-02-0.98102590D-01 0.27171155D+01 0.36720012D+01-0.16239106D-02
-0.16239106D-02 0.63088264D-03-0.11057792D-01-0.11057792D-01 0.29065534D-01
0.44944163D+00 0.44944163D+00-0.31918751D+00 0.32394465D-02 0.32394465D-02
0.16986503D-02-0.30400217D-03 0.50636277D-03 0.50636277D-03 0.34305745D-01
0.34305745D-01 0.41083293D-01 0.15879089D-01-0.11825655D-02-0.11825655D-02
0.15702256D-02 0.98102590D-01-0.27171155D+01-0.36720012D+01 0.16239106D-02
-0.16239106D-02 0.63088264D-03 0.11057792D-01-0.11057792D-01 0.29065534D-01
-0.44944163D+00 0.44944163D+00-0.31918751D+00-0.32394465D-02-0.32394465D-02
-0.16986503D-02-0.30400217D-03 0.50636277D-03-0.50636277D-03-0.34305745D-01
-0.34305745D-01-0.41083293D-01 0.15879089D-01-0.11825655D-02 0.11825655D-02
0.15702256D-02 0.98102590D-01-0.27171155D+01-0.36720012D+01-0.16239106D-02
0.16239106D-02 0.63088264D-03-0.11057792D-01 0.11057792D-01 0.29065534D-01
0.44944163D+00-0.44944163D+00-0.31918751D+00-0.32394465D-02-0.32394465D-02
-0.16986503D-02-0.30400217D-03-0.50636277D-03 0.50636277D-03-0.34305745D-01
-0.34305745D-01-0.41083293D-01 0.15879089D-01 0.11825655D-02-0.11825655D-02
10 Alpha MO OE= 0.12004920D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.36925414D-01 0.00000000D+00 0.00000000D+00-0.11018017D+01
0.00000000D+00 0.00000000D+00 0.67032391D+01 0.00000000D+00 0.00000000D+00
0.52863470D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.12133776D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.43521885D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10477389D+01 0.00000000D+00
0.00000000D+00-0.25039055D-01 0.00000000D+00 0.00000000D+00-0.28558407D-01
0.00000000D+00 0.00000000D+00-0.28558407D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.82065579D+00 0.00000000D+00 0.00000000D+00-0.51986765D+00
0.00000000D+00 0.00000000D+00-0.51986765D+00 0.00000000D+00 0.00000000D+00
-0.68035064D-02 0.67139861D+00-0.56594753D+01-0.43103059D+01 0.61311228D-03
0.28159179D-02 0.61311228D-03-0.11293111D+00-0.16671199D+00-0.11293111D+00
0.64119313D+00 0.76849793D-01 0.64119313D+00 0.69902148D-02 0.10926955D-01
0.69902148D-02 0.46148509D-02 0.48709986D-02 0.46148509D-02 0.92350829D-01
0.10906852D+00 0.92350829D-01 0.59854748D-01-0.16537789D-02 0.59854748D-01
0.68035064D-02-0.67139861D+00 0.56594753D+01 0.43103059D+01 0.61311228D-03
0.28159179D-02-0.61311228D-03-0.11293111D+00-0.16671199D+00 0.11293111D+00
0.64119313D+00 0.76849793D-01-0.64119313D+00-0.69902148D-02-0.10926955D-01
-0.69902148D-02-0.46148509D-02 0.48709986D-02 0.46148509D-02-0.92350829D-01
-0.10906852D+00-0.92350829D-01-0.59854748D-01-0.16537789D-02 0.59854748D-01
-0.68035064D-02 0.67139861D+00-0.56594753D+01-0.43103059D+01-0.61311228D-03
0.28159179D-02-0.61311228D-03 0.11293111D+00-0.16671199D+00 0.11293111D+00
-0.64119313D+00 0.76849793D-01-0.64119313D+00 0.69902148D-02 0.10926955D-01
0.69902148D-02-0.46148509D-02 0.48709986D-02-0.46148509D-02 0.92350829D-01
0.10906852D+00 0.92350829D-01-0.59854748D-01-0.16537789D-02-0.59854748D-01
0.68035064D-02-0.67139861D+00 0.56594753D+01 0.43103059D+01-0.61311228D-03
0.28159179D-02 0.61311228D-03 0.11293111D+00-0.16671199D+00-0.11293111D+00
-0.64119313D+00 0.76849793D-01 0.64119313D+00-0.69902148D-02-0.10926955D-01
-0.69902148D-02 0.46148509D-02 0.48709986D-02-0.46148509D-02-0.92350829D-01
-0.10906852D+00-0.92350829D-01 0.59854748D-01-0.16537789D-02-0.59854748D-01
11 Alpha MO OE= 0.12004920D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.36925414D-01 0.00000000D+00 0.00000000D+00-0.11018017D+01 0.00000000D+00
0.00000000D+00 0.67032391D+01 0.00000000D+00 0.00000000D+00 0.52863470D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.12133776D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.43521885D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10477389D+01
-0.25039055D-01 0.00000000D+00 0.00000000D+00-0.28558407D-01 0.00000000D+00
0.00000000D+00-0.28558407D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.82065579D+00 0.00000000D+00 0.00000000D+00-0.51986765D+00 0.00000000D+00
0.00000000D+00-0.51986765D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.68035064D-02 0.67139861D+00-0.56594753D+01-0.43103059D+01 0.28159179D-02
0.61311228D-03 0.61311228D-03-0.16671199D+00-0.11293111D+00-0.11293111D+00
0.76849793D-01 0.64119313D+00 0.64119313D+00 0.10926955D-01 0.69902148D-02
0.69902148D-02 0.46148509D-02 0.46148509D-02 0.48709986D-02 0.10906852D+00
0.92350829D-01 0.92350829D-01 0.59854748D-01 0.59854748D-01-0.16537789D-02
0.68035064D-02-0.67139861D+00 0.56594753D+01 0.43103059D+01 0.28159179D-02
0.61311228D-03-0.61311228D-03-0.16671199D+00-0.11293111D+00 0.11293111D+00
0.76849793D-01 0.64119313D+00-0.64119313D+00-0.10926955D-01-0.69902148D-02
-0.69902148D-02-0.46148509D-02 0.46148509D-02 0.48709986D-02-0.10906852D+00
-0.92350829D-01-0.92350829D-01-0.59854748D-01 0.59854748D-01-0.16537789D-02
0.68035064D-02-0.67139861D+00 0.56594753D+01 0.43103059D+01 0.28159179D-02
-0.61311228D-03 0.61311228D-03-0.16671199D+00 0.11293111D+00-0.11293111D+00
0.76849793D-01-0.64119313D+00 0.64119313D+00-0.10926955D-01-0.69902148D-02
-0.69902148D-02 0.46148509D-02-0.46148509D-02 0.48709986D-02-0.10906852D+00
-0.92350829D-01-0.92350829D-01 0.59854748D-01-0.59854748D-01-0.16537789D-02
-0.68035064D-02 0.67139861D+00-0.56594753D+01-0.43103059D+01 0.28159179D-02
-0.61311228D-03-0.61311228D-03-0.16671199D+00 0.11293111D+00 0.11293111D+00
0.76849793D-01-0.64119313D+00-0.64119313D+00 0.10926955D-01 0.69902148D-02
0.69902148D-02-0.46148509D-02-0.46148509D-02 0.48709986D-02 0.10906852D+00
0.92350829D-01 0.92350829D-01-0.59854748D-01-0.59854748D-01-0.16537789D-02
12 Alpha MO OE= 0.12004920D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.36925414D-01 0.00000000D+00 0.00000000D+00
-0.11018017D+01 0.00000000D+00 0.00000000D+00 0.67032391D+01 0.00000000D+00
0.00000000D+00 0.52863470D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.12133776D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.43521885D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.10477389D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.25039055D-01 0.00000000D+00 0.00000000D+00
-0.28558407D-01 0.00000000D+00 0.00000000D+00-0.28558407D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.82065579D+00 0.00000000D+00 0.00000000D+00
-0.51986765D+00 0.00000000D+00 0.00000000D+00-0.51986765D+00 0.00000000D+00
-0.68035064D-02 0.67139861D+00-0.56594753D+01-0.43103059D+01 0.61311228D-03
0.61311228D-03 0.28159179D-02-0.11293111D+00-0.11293111D+00-0.16671199D+00
0.64119313D+00 0.64119313D+00 0.76849793D-01 0.69902148D-02 0.69902148D-02
0.10926955D-01 0.48709986D-02 0.46148509D-02 0.46148509D-02 0.92350829D-01
0.92350829D-01 0.10906852D+00-0.16537789D-02 0.59854748D-01 0.59854748D-01
-0.68035064D-02 0.67139861D+00-0.56594753D+01-0.43103059D+01-0.61311228D-03
-0.61311228D-03 0.28159179D-02 0.11293111D+00 0.11293111D+00-0.16671199D+00
-0.64119313D+00-0.64119313D+00 0.76849793D-01 0.69902148D-02 0.69902148D-02
0.10926955D-01 0.48709986D-02-0.46148509D-02-0.46148509D-02 0.92350829D-01
0.92350829D-01 0.10906852D+00-0.16537789D-02-0.59854748D-01-0.59854748D-01
0.68035064D-02-0.67139861D+00 0.56594753D+01 0.43103059D+01 0.61311228D-03
-0.61311228D-03 0.28159179D-02-0.11293111D+00 0.11293111D+00-0.16671199D+00
0.64119313D+00-0.64119313D+00 0.76849793D-01-0.69902148D-02-0.69902148D-02
-0.10926955D-01 0.48709986D-02-0.46148509D-02 0.46148509D-02-0.92350829D-01
-0.92350829D-01-0.10906852D+00-0.16537789D-02-0.59854748D-01 0.59854748D-01
0.68035064D-02-0.67139861D+00 0.56594753D+01 0.43103059D+01-0.61311228D-03
0.61311228D-03 0.28159179D-02 0.11293111D+00-0.11293111D+00-0.16671199D+00
-0.64119313D+00 0.64119313D+00 0.76849793D-01-0.69902148D-02-0.69902148D-02
-0.10926955D-01 0.48709986D-02 0.46148509D-02-0.46148509D-02-0.92350829D-01
-0.92350829D-01-0.10906852D+00-0.16537789D-02 0.59854748D-01-0.59854748D-01
13 Alpha MO OE= 0.12955653D+00
-0.50793774D-01 0.14283596D+00 0.12566879D+00 0.31719303D+02-0.16119867D+02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.12769448D-01 0.12769448D-01 0.12769448D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10189949D+00 0.10189949D+00
0.10189949D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.73637029D+01
0.73637029D+01 0.73637029D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.10651276D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.20711985D-01
0.24618481D-02 0.60906818D+00-0.99922848D+01 0.14538528D+01-0.46170603D-02
-0.46170603D-02-0.46170603D-02-0.14175713D-01-0.14175713D-01-0.14175713D-01
0.13054868D+01 0.13054868D+01 0.13054868D+01 0.49116250D-03 0.49116250D-03
0.49116250D-03 0.39445525D-02 0.39445525D-02 0.39445525D-02 0.18847225D+00
0.18847225D+00 0.18847225D+00-0.41236058D-01-0.41236058D-01-0.41236058D-01
0.24618481D-02 0.60906818D+00-0.99922848D+01 0.14538528D+01 0.46170603D-02
0.46170603D-02-0.46170603D-02 0.14175713D-01 0.14175713D-01-0.14175713D-01
-0.13054868D+01-0.13054868D+01 0.13054868D+01 0.49116250D-03 0.49116250D-03
0.49116250D-03 0.39445525D-02-0.39445525D-02-0.39445525D-02 0.18847225D+00
0.18847225D+00 0.18847225D+00-0.41236058D-01 0.41236058D-01 0.41236058D-01
0.24618481D-02 0.60906818D+00-0.99922848D+01 0.14538528D+01 0.46170603D-02
-0.46170603D-02 0.46170603D-02 0.14175713D-01-0.14175713D-01 0.14175713D-01
-0.13054868D+01 0.13054868D+01-0.13054868D+01 0.49116250D-03 0.49116250D-03
0.49116250D-03-0.39445525D-02 0.39445525D-02-0.39445525D-02 0.18847225D+00
0.18847225D+00 0.18847225D+00 0.41236058D-01-0.41236058D-01 0.41236058D-01
0.24618481D-02 0.60906818D+00-0.99922848D+01 0.14538528D+01-0.46170603D-02
0.46170603D-02 0.46170603D-02-0.14175713D-01 0.14175713D-01 0.14175713D-01
0.13054868D+01-0.13054868D+01-0.13054868D+01 0.49116250D-03 0.49116250D-03
0.49116250D-03-0.39445525D-02-0.39445525D-02 0.39445525D-02 0.18847225D+00
0.18847225D+00 0.18847225D+00 0.41236058D-01 0.41236058D-01-0.41236058D-01
14 Alpha MO OE= 0.21909194D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.11172248D+00 0.00000000D+00 0.00000000D+00-0.60370514D+00
0.00000000D+00 0.00000000D+00 0.88562927D+01 0.00000000D+00 0.00000000D+00
0.18079747D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.21137520D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.68678651D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16415383D+01 0.00000000D+00
0.00000000D+00-0.30818640D-01 0.00000000D+00 0.00000000D+00-0.13025795D-01
0.00000000D+00 0.00000000D+00-0.13025795D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.75511305D+00 0.00000000D+00 0.00000000D+00-0.44173940D+00
0.00000000D+00 0.00000000D+00-0.44173940D+00 0.00000000D+00 0.00000000D+00
-0.15914529D-01-0.21544061D+00-0.73750875D+01-0.22350563D+01 0.44968560D-03
-0.23795014D-02 0.44968560D-03 0.59989985D-01 0.90621655D-02 0.59989985D-01
0.16180508D+01 0.14562670D+01 0.16180508D+01-0.18926820D-01-0.13062592D-01
-0.18926820D-01-0.14876979D-02-0.39560491D-02-0.14876979D-02-0.24090276D+00
-0.27032078D+00-0.24090276D+00-0.51821805D-01-0.63923939D-01-0.51821805D-01
0.15914529D-01 0.21544061D+00 0.73750875D+01 0.22350563D+01 0.44968560D-03
-0.23795014D-02-0.44968560D-03 0.59989985D-01 0.90621655D-02-0.59989985D-01
0.16180508D+01 0.14562670D+01-0.16180508D+01 0.18926820D-01 0.13062592D-01
0.18926820D-01 0.14876979D-02-0.39560491D-02-0.14876979D-02 0.24090276D+00
0.27032078D+00 0.24090276D+00 0.51821805D-01-0.63923939D-01-0.51821805D-01
-0.15914529D-01-0.21544061D+00-0.73750875D+01-0.22350563D+01-0.44968560D-03
-0.23795014D-02-0.44968560D-03-0.59989985D-01 0.90621655D-02-0.59989985D-01
-0.16180508D+01 0.14562670D+01-0.16180508D+01-0.18926820D-01-0.13062592D-01
-0.18926820D-01 0.14876979D-02-0.39560491D-02 0.14876979D-02-0.24090276D+00
-0.27032078D+00-0.24090276D+00 0.51821805D-01-0.63923939D-01 0.51821805D-01
0.15914529D-01 0.21544061D+00 0.73750875D+01 0.22350563D+01-0.44968560D-03
-0.23795014D-02 0.44968560D-03-0.59989985D-01 0.90621655D-02 0.59989985D-01
-0.16180508D+01 0.14562670D+01 0.16180508D+01 0.18926820D-01 0.13062592D-01
0.18926820D-01-0.14876979D-02-0.39560491D-02 0.14876979D-02 0.24090276D+00
0.27032078D+00 0.24090276D+00-0.51821805D-01-0.63923939D-01 0.51821805D-01
15 Alpha MO OE= 0.21909194D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.11172248D+00 0.00000000D+00 0.00000000D+00-0.60370514D+00 0.00000000D+00
0.00000000D+00 0.88562927D+01 0.00000000D+00 0.00000000D+00 0.18079747D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.21137520D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.68678651D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16415383D+01
-0.30818640D-01 0.00000000D+00 0.00000000D+00-0.13025795D-01 0.00000000D+00
0.00000000D+00-0.13025795D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.75511305D+00 0.00000000D+00 0.00000000D+00-0.44173940D+00 0.00000000D+00
0.00000000D+00-0.44173940D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.15914529D-01-0.21544061D+00-0.73750875D+01-0.22350563D+01-0.23795014D-02
0.44968560D-03 0.44968560D-03 0.90621655D-02 0.59989985D-01 0.59989985D-01
0.14562670D+01 0.16180508D+01 0.16180508D+01-0.13062592D-01-0.18926820D-01
-0.18926820D-01-0.14876979D-02-0.14876979D-02-0.39560491D-02-0.27032078D+00
-0.24090276D+00-0.24090276D+00-0.51821805D-01-0.51821805D-01-0.63923939D-01
0.15914529D-01 0.21544061D+00 0.73750875D+01 0.22350563D+01-0.23795014D-02
0.44968560D-03-0.44968560D-03 0.90621655D-02 0.59989985D-01-0.59989985D-01
0.14562670D+01 0.16180508D+01-0.16180508D+01 0.13062592D-01 0.18926820D-01
0.18926820D-01 0.14876979D-02-0.14876979D-02-0.39560491D-02 0.27032078D+00
0.24090276D+00 0.24090276D+00 0.51821805D-01-0.51821805D-01-0.63923939D-01
0.15914529D-01 0.21544061D+00 0.73750875D+01 0.22350563D+01-0.23795014D-02
-0.44968560D-03 0.44968560D-03 0.90621655D-02-0.59989985D-01 0.59989985D-01
0.14562670D+01-0.16180508D+01 0.16180508D+01 0.13062592D-01 0.18926820D-01
0.18926820D-01-0.14876979D-02 0.14876979D-02-0.39560491D-02 0.27032078D+00
0.24090276D+00 0.24090276D+00-0.51821805D-01 0.51821805D-01-0.63923939D-01
-0.15914529D-01-0.21544061D+00-0.73750875D+01-0.22350563D+01-0.23795014D-02
-0.44968560D-03-0.44968560D-03 0.90621655D-02-0.59989985D-01-0.59989985D-01
0.14562670D+01-0.16180508D+01-0.16180508D+01-0.13062592D-01-0.18926820D-01
-0.18926820D-01 0.14876979D-02 0.14876979D-02-0.39560491D-02-0.27032078D+00
-0.24090276D+00-0.24090276D+00 0.51821805D-01 0.51821805D-01-0.63923939D-01
16 Alpha MO OE= 0.21909194D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.11172248D+00 0.00000000D+00 0.00000000D+00
-0.60370514D+00 0.00000000D+00 0.00000000D+00 0.88562927D+01 0.00000000D+00
0.00000000D+00 0.18079747D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.21137520D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.68678651D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.16415383D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.30818640D-01 0.00000000D+00 0.00000000D+00
-0.13025795D-01 0.00000000D+00 0.00000000D+00-0.13025795D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.75511305D+00 0.00000000D+00 0.00000000D+00
-0.44173940D+00 0.00000000D+00 0.00000000D+00-0.44173940D+00 0.00000000D+00
-0.15914529D-01-0.21544061D+00-0.73750875D+01-0.22350563D+01 0.44968560D-03
0.44968560D-03-0.23795014D-02 0.59989985D-01 0.59989985D-01 0.90621655D-02
0.16180508D+01 0.16180508D+01 0.14562670D+01-0.18926820D-01-0.18926820D-01
-0.13062592D-01-0.39560491D-02-0.14876979D-02-0.14876979D-02-0.24090276D+00
-0.24090276D+00-0.27032078D+00-0.63923939D-01-0.51821805D-01-0.51821805D-01
-0.15914529D-01-0.21544061D+00-0.73750875D+01-0.22350563D+01-0.44968560D-03
-0.44968560D-03-0.23795014D-02-0.59989985D-01-0.59989985D-01 0.90621655D-02
-0.16180508D+01-0.16180508D+01 0.14562670D+01-0.18926820D-01-0.18926820D-01
-0.13062592D-01-0.39560491D-02 0.14876979D-02 0.14876979D-02-0.24090276D+00
-0.24090276D+00-0.27032078D+00-0.63923939D-01 0.51821805D-01 0.51821805D-01
0.15914529D-01 0.21544061D+00 0.73750875D+01 0.22350563D+01 0.44968560D-03
-0.44968560D-03-0.23795014D-02 0.59989985D-01-0.59989985D-01 0.90621655D-02
0.16180508D+01-0.16180508D+01 0.14562670D+01 0.18926820D-01 0.18926820D-01
0.13062592D-01-0.39560491D-02 0.14876979D-02-0.14876979D-02 0.24090276D+00
0.24090276D+00 0.27032078D+00-0.63923939D-01 0.51821805D-01-0.51821805D-01
0.15914529D-01 0.21544061D+00 0.73750875D+01 0.22350563D+01-0.44968560D-03
0.44968560D-03-0.23795014D-02-0.59989985D-01 0.59989985D-01 0.90621655D-02
-0.16180508D+01 0.16180508D+01 0.14562670D+01 0.18926820D-01 0.18926820D-01
0.13062592D-01-0.39560491D-02-0.14876979D-02 0.14876979D-02 0.24090276D+00
0.24090276D+00 0.27032078D+00-0.63923939D-01-0.51821805D-01 0.51821805D-01
17 Alpha MO OE= 0.22297952D+00
0.89990092D-13 0.45073361D-12-0.34177323D-11 0.50159876D-09-0.58145393D-10
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.17876503D-01 0.86915475D-02-0.26568051D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.28902149D+00-0.14052211D+00
0.42954360D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.28157536D+01
-0.13690181D+01 0.41847717D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.38413323D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16886800D-11
0.28834215D-12 0.17706842D-11-0.16337103D-09 0.23209656D-11-0.21631875D-02
-0.10517408D-02 0.32149283D-02 0.95871339D-01 0.46612600D-01-0.14248394D+00
0.16190099D+01 0.78716187D+00-0.24061718D+01-0.25831386D-02-0.12559208D-02
0.38390594D-02-0.29819759D-02 0.97553207D-03 0.20064439D-02-0.94423835D-01
-0.45908825D-01 0.14033266D+00-0.13782964D+00 0.45089979D-01 0.92739660D-01
0.28834215D-12 0.17706842D-11-0.16337103D-09 0.23209656D-11 0.21631875D-02
0.10517408D-02 0.32149283D-02-0.95871339D-01-0.46612600D-01-0.14248394D+00
-0.16190099D+01-0.78716187D+00-0.24061718D+01-0.25831386D-02-0.12559208D-02
0.38390594D-02-0.29819759D-02-0.97553207D-03-0.20064439D-02-0.94423835D-01
-0.45908825D-01 0.14033266D+00-0.13782964D+00-0.45089979D-01-0.92739660D-01
0.28834215D-12 0.17706842D-11-0.16337103D-09 0.23209656D-11 0.21631875D-02
-0.10517408D-02-0.32149283D-02-0.95871339D-01 0.46612600D-01 0.14248394D+00
-0.16190099D+01 0.78716187D+00 0.24061718D+01-0.25831386D-02-0.12559208D-02
0.38390594D-02 0.29819759D-02 0.97553207D-03-0.20064439D-02-0.94423835D-01
-0.45908825D-01 0.14033266D+00 0.13782964D+00 0.45089979D-01-0.92739660D-01
0.28834215D-12 0.17706842D-11-0.16337103D-09 0.23209656D-11-0.21631875D-02
0.10517408D-02-0.32149283D-02 0.95871339D-01-0.46612600D-01 0.14248394D+00
0.16190099D+01-0.78716187D+00 0.24061718D+01-0.25831386D-02-0.12559208D-02
0.38390594D-02 0.29819759D-02-0.97553207D-03 0.20064439D-02-0.94423835D-01
-0.45908825D-01 0.14033266D+00 0.13782964D+00-0.45089979D-01 0.92739660D-01
18 Alpha MO OE= 0.22297952D+00
0.49255038D-13 0.50569411D-12-0.43476219D-11 0.52754875D-09-0.51083660D-10
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.20357139D-01-0.25660075D-01 0.53029367D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.32912760D+00 0.41486375D+00
-0.85736155D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.32064821D+01
0.40417552D+01-0.83527315D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.48507506D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24484693D-11
0.30561290D-12-0.12291779D-11-0.16783915D-09 0.17918213D-11-0.24633625D-02
0.31050566D-02-0.64169409D-03 0.10917494D+00-0.13761448D+00 0.28439546D-01
0.18436720D+01-0.23239397D+01 0.48026770D+00-0.29415882D-02 0.37078577D-02
-0.76626957D-03 0.59519720D-03-0.28800655D-02 0.22848683D-02-0.10752657D+00
0.13553673D+00-0.28010155D-01 0.27510556D-01-0.13311925D+00 0.10560869D+00
0.30561290D-12-0.12291779D-11-0.16783915D-09 0.17918213D-11 0.24633625D-02
-0.31050566D-02-0.64169409D-03-0.10917494D+00 0.13761448D+00 0.28439546D-01
-0.18436720D+01 0.23239397D+01 0.48026770D+00-0.29415882D-02 0.37078577D-02
-0.76626957D-03 0.59519720D-03 0.28800655D-02-0.22848683D-02-0.10752657D+00
0.13553673D+00-0.28010155D-01 0.27510556D-01 0.13311925D+00-0.10560869D+00
0.30561290D-12-0.12291779D-11-0.16783915D-09 0.17918213D-11 0.24633625D-02
0.31050566D-02 0.64169409D-03-0.10917494D+00-0.13761448D+00-0.28439546D-01
-0.18436720D+01-0.23239397D+01-0.48026770D+00-0.29415882D-02 0.37078577D-02
-0.76626957D-03-0.59519720D-03-0.28800655D-02-0.22848683D-02-0.10752657D+00
0.13553673D+00-0.28010155D-01-0.27510556D-01-0.13311925D+00-0.10560869D+00
0.30561290D-12-0.12291779D-11-0.16783915D-09 0.17918213D-11-0.24633625D-02
-0.31050566D-02 0.64169409D-03 0.10917494D+00 0.13761448D+00-0.28439546D-01
0.18436720D+01 0.23239397D+01-0.48026770D+00-0.29415882D-02 0.37078577D-02
-0.76626957D-03-0.59519720D-03 0.28800655D-02 0.22848683D-02-0.10752657D+00
0.13553673D+00-0.28010155D-01-0.27510556D-01 0.13311925D+00 0.10560869D+00
19 Alpha MO OE= 0.29222309D+00
0.56984616D-01-0.73170905D-01-0.36856877D+00 0.66278126D+02-0.16450237D+02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.47553773D-01-0.47553773D-01-0.47553773D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.40919393D+00-0.40919393D+00
-0.40919393D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10384726D+02
0.10384726D+02 0.10384726D+02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.36465113D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21337666D+00
0.71444939D-02-0.82908906D+00-0.17031164D+02 0.88253030D+00 0.21263007D-02
0.21263007D-02 0.21263007D-02 0.21742780D+00 0.21742780D+00 0.21742780D+00
0.32446542D+01 0.32446542D+01 0.32446542D+01-0.96586048D-02-0.96586048D-02
-0.96586048D-02-0.87103522D-02-0.87103522D-02-0.87103522D-02-0.12428450D+00
-0.12428450D+00-0.12428450D+00-0.10531704D+00-0.10531704D+00-0.10531704D+00
0.71444939D-02-0.82908906D+00-0.17031164D+02 0.88253030D+00-0.21263007D-02
-0.21263007D-02 0.21263007D-02-0.21742780D+00-0.21742780D+00 0.21742780D+00
-0.32446542D+01-0.32446542D+01 0.32446542D+01-0.96586048D-02-0.96586048D-02
-0.96586048D-02-0.87103522D-02 0.87103522D-02 0.87103522D-02-0.12428450D+00
-0.12428450D+00-0.12428450D+00-0.10531704D+00 0.10531704D+00 0.10531704D+00
0.71444939D-02-0.82908906D+00-0.17031164D+02 0.88253030D+00-0.21263007D-02
0.21263007D-02-0.21263007D-02-0.21742780D+00 0.21742780D+00-0.21742780D+00
-0.32446542D+01 0.32446542D+01-0.32446542D+01-0.96586048D-02-0.96586048D-02
-0.96586048D-02 0.87103522D-02-0.87103522D-02 0.87103522D-02-0.12428450D+00
-0.12428450D+00-0.12428450D+00 0.10531704D+00-0.10531704D+00 0.10531704D+00
0.71444939D-02-0.82908906D+00-0.17031164D+02 0.88253030D+00 0.21263007D-02
-0.21263007D-02-0.21263007D-02 0.21742780D+00-0.21742780D+00-0.21742780D+00
0.32446542D+01-0.32446542D+01-0.32446542D+01-0.96586048D-02-0.96586048D-02
-0.96586048D-02 0.87103522D-02 0.87103522D-02-0.87103522D-02-0.12428450D+00
-0.12428450D+00-0.12428450D+00 0.10531704D+00 0.10531704D+00-0.10531704D+00
20 Alpha MO OE= 0.32053741D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.59289336D-01 0.00000000D+00 0.00000000D+00-0.21484680D+01
0.00000000D+00 0.00000000D+00 0.14179564D+02 0.00000000D+00 0.00000000D+00
0.48744578D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.56615119D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.92430158D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.22423643D+01 0.00000000D+00
0.00000000D+00-0.51172430D-01 0.00000000D+00 0.00000000D+00-0.57395388D-01
0.00000000D+00 0.00000000D+00-0.57395388D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.16054253D+01 0.00000000D+00 0.00000000D+00-0.10889268D+01
0.00000000D+00 0.00000000D+00-0.10889268D+01 0.00000000D+00 0.00000000D+00
0.43153550D-01 0.13028939D+01-0.91731270D+01-0.28393764D+01-0.14713190D-02
0.64627385D-03-0.14713190D-02-0.23718240D+00-0.40996947D+00-0.23718240D+00
0.10641940D+01-0.70517487D+00 0.10641940D+01 0.97149909D-02 0.17100620D-01
0.97149909D-02 0.97839357D-02 0.12248113D-01 0.97839357D-02 0.52369047D-01
0.11498629D+00 0.52369047D-01 0.16910929D+00-0.25978938D-02 0.16910929D+00
-0.43153550D-01-0.13028939D+01 0.91731270D+01 0.28393764D+01-0.14713190D-02
0.64627385D-03 0.14713190D-02-0.23718240D+00-0.40996947D+00 0.23718240D+00
0.10641940D+01-0.70517487D+00-0.10641940D+01-0.97149909D-02-0.17100620D-01
-0.97149909D-02-0.97839357D-02 0.12248113D-01 0.97839357D-02-0.52369047D-01
-0.11498629D+00-0.52369047D-01-0.16910929D+00-0.25978938D-02 0.16910929D+00
0.43153550D-01 0.13028939D+01-0.91731270D+01-0.28393764D+01 0.14713190D-02
0.64627385D-03 0.14713190D-02 0.23718240D+00-0.40996947D+00 0.23718240D+00
-0.10641940D+01-0.70517487D+00-0.10641940D+01 0.97149909D-02 0.17100620D-01
0.97149909D-02-0.97839357D-02 0.12248113D-01-0.97839357D-02 0.52369047D-01
0.11498629D+00 0.52369047D-01-0.16910929D+00-0.25978938D-02-0.16910929D+00
-0.43153550D-01-0.13028939D+01 0.91731270D+01 0.28393764D+01 0.14713190D-02
0.64627385D-03-0.14713190D-02 0.23718240D+00-0.40996947D+00-0.23718240D+00
-0.10641940D+01-0.70517487D+00 0.10641940D+01-0.97149909D-02-0.17100620D-01
-0.97149909D-02 0.97839357D-02 0.12248113D-01-0.97839357D-02-0.52369047D-01
-0.11498629D+00-0.52369047D-01 0.16910929D+00-0.25978938D-02-0.16910929D+00
21 Alpha MO OE= 0.32053741D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.59289336D-01 0.00000000D+00 0.00000000D+00
-0.21484680D+01 0.00000000D+00 0.00000000D+00 0.14179564D+02 0.00000000D+00
0.00000000D+00 0.48744578D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.56615119D-03 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.92430158D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.22423643D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.51172430D-01 0.00000000D+00 0.00000000D+00
-0.57395388D-01 0.00000000D+00 0.00000000D+00-0.57395388D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.16054253D+01 0.00000000D+00 0.00000000D+00
-0.10889268D+01 0.00000000D+00 0.00000000D+00-0.10889268D+01 0.00000000D+00
0.43153550D-01 0.13028939D+01-0.91731270D+01-0.28393764D+01-0.14713190D-02
-0.14713190D-02 0.64627385D-03-0.23718240D+00-0.23718240D+00-0.40996947D+00
0.10641940D+01 0.10641940D+01-0.70517487D+00 0.97149909D-02 0.97149909D-02
0.17100620D-01 0.12248113D-01 0.97839357D-02 0.97839357D-02 0.52369047D-01
0.52369047D-01 0.11498629D+00-0.25978938D-02 0.16910929D+00 0.16910929D+00
0.43153550D-01 0.13028939D+01-0.91731270D+01-0.28393764D+01 0.14713190D-02
0.14713190D-02 0.64627385D-03 0.23718240D+00 0.23718240D+00-0.40996947D+00
-0.10641940D+01-0.10641940D+01-0.70517487D+00 0.97149909D-02 0.97149909D-02
0.17100620D-01 0.12248113D-01-0.97839357D-02-0.97839357D-02 0.52369047D-01
0.52369047D-01 0.11498629D+00-0.25978938D-02-0.16910929D+00-0.16910929D+00
-0.43153550D-01-0.13028939D+01 0.91731270D+01 0.28393764D+01-0.14713190D-02
0.14713190D-02 0.64627385D-03-0.23718240D+00 0.23718240D+00-0.40996947D+00
0.10641940D+01-0.10641940D+01-0.70517487D+00-0.97149909D-02-0.97149909D-02
-0.17100620D-01 0.12248113D-01-0.97839357D-02 0.97839357D-02-0.52369047D-01
-0.52369047D-01-0.11498629D+00-0.25978938D-02-0.16910929D+00 0.16910929D+00
-0.43153550D-01-0.13028939D+01 0.91731270D+01 0.28393764D+01 0.14713190D-02
-0.14713190D-02 0.64627385D-03 0.23718240D+00-0.23718240D+00-0.40996947D+00
-0.10641940D+01 0.10641940D+01-0.70517487D+00-0.97149909D-02-0.97149909D-02
-0.17100620D-01 0.12248113D-01 0.97839357D-02-0.97839357D-02-0.52369047D-01
-0.52369047D-01-0.11498629D+00-0.25978938D-02 0.16910929D+00-0.16910929D+00
22 Alpha MO OE= 0.32053741D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.59289336D-01 0.00000000D+00 0.00000000D+00-0.21484680D+01 0.00000000D+00
0.00000000D+00 0.14179564D+02 0.00000000D+00 0.00000000D+00 0.48744578D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.56615119D-03 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.92430158D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.22423643D+01
-0.51172430D-01 0.00000000D+00 0.00000000D+00-0.57395388D-01 0.00000000D+00
0.00000000D+00-0.57395388D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.16054253D+01 0.00000000D+00 0.00000000D+00-0.10889268D+01 0.00000000D+00
0.00000000D+00-0.10889268D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.43153550D-01 0.13028939D+01-0.91731270D+01-0.28393764D+01 0.64627385D-03
-0.14713190D-02-0.14713190D-02-0.40996947D+00-0.23718240D+00-0.23718240D+00
-0.70517487D+00 0.10641940D+01 0.10641940D+01 0.17100620D-01 0.97149909D-02
0.97149909D-02 0.97839357D-02 0.97839357D-02 0.12248113D-01 0.11498629D+00
0.52369047D-01 0.52369047D-01 0.16910929D+00 0.16910929D+00-0.25978938D-02
-0.43153550D-01-0.13028939D+01 0.91731270D+01 0.28393764D+01 0.64627385D-03
-0.14713190D-02 0.14713190D-02-0.40996947D+00-0.23718240D+00 0.23718240D+00
-0.70517487D+00 0.10641940D+01-0.10641940D+01-0.17100620D-01-0.97149909D-02
-0.97149909D-02-0.97839357D-02 0.97839357D-02 0.12248113D-01-0.11498629D+00
-0.52369047D-01-0.52369047D-01-0.16910929D+00 0.16910929D+00-0.25978938D-02
-0.43153550D-01-0.13028939D+01 0.91731270D+01 0.28393764D+01 0.64627385D-03
0.14713190D-02-0.14713190D-02-0.40996947D+00 0.23718240D+00-0.23718240D+00
-0.70517487D+00-0.10641940D+01 0.10641940D+01-0.17100620D-01-0.97149909D-02
-0.97149909D-02 0.97839357D-02-0.97839357D-02 0.12248113D-01-0.11498629D+00
-0.52369047D-01-0.52369047D-01 0.16910929D+00-0.16910929D+00-0.25978938D-02
0.43153550D-01 0.13028939D+01-0.91731270D+01-0.28393764D+01 0.64627385D-03
0.14713190D-02 0.14713190D-02-0.40996947D+00 0.23718240D+00 0.23718240D+00
-0.70517487D+00-0.10641940D+01-0.10641940D+01 0.17100620D-01 0.97149909D-02
0.97149909D-02-0.97839357D-02-0.97839357D-02 0.12248113D-01 0.11498629D+00
0.52369047D-01 0.52369047D-01-0.16910929D+00-0.16910929D+00-0.25978938D-02
23 Alpha MO OE= 0.35394772D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.56283086D-14 0.00000000D+00 0.00000000D+00
0.37248553D-11 0.00000000D+00 0.00000000D+00-0.25094858D-10 0.00000000D+00
0.00000000D+00 0.81321519D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.30874238D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.34281221D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.59121026D-11 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.61735667D-13 0.00000000D+00 0.00000000D+00
0.85184736D-02 0.00000000D+00 0.00000000D+00-0.85184736D-02 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.41251441D-11 0.00000000D+00 0.00000000D+00
-0.34234643D+00 0.00000000D+00 0.00000000D+00 0.34234643D+00 0.00000000D+00
0.44862407D-13-0.21551851D-11 0.31074035D-10-0.69963041D-13-0.80312818D-02
0.80312818D-02 0.99102615D-14 0.16785649D+00-0.16785649D+00-0.37545379D-13
0.15250324D+01-0.15250324D+01-0.75515859D-11 0.15693908D-02-0.15693908D-02
-0.63642227D-14-0.10932161D-13 0.66705251D-02-0.66705251D-02-0.24566191D+00
0.24566191D+00-0.48902067D-13-0.73266671D-13-0.15280431D+00 0.15280431D+00
0.44862407D-13-0.21551851D-11 0.31074035D-10-0.69963041D-13 0.80312818D-02
-0.80312818D-02 0.99102615D-14-0.16785649D+00 0.16785649D+00-0.37545379D-13
-0.15250324D+01 0.15250324D+01-0.75515859D-11 0.15693908D-02-0.15693908D-02
-0.63642227D-14-0.10932161D-13-0.66705251D-02 0.66705251D-02-0.24566191D+00
0.24566191D+00-0.48902067D-13-0.73266671D-13 0.15280431D+00-0.15280431D+00
-0.44862407D-13 0.21551851D-11-0.31074035D-10 0.69963041D-13-0.80312818D-02
-0.80312818D-02 0.99102615D-14 0.16785649D+00 0.16785649D+00-0.37545379D-13
0.15250324D+01 0.15250324D+01-0.75515859D-11-0.15693908D-02 0.15693908D-02
0.63642227D-14-0.10932161D-13-0.66705251D-02-0.66705251D-02 0.24566191D+00
-0.24566191D+00 0.48902067D-13-0.73266671D-13 0.15280431D+00 0.15280431D+00
-0.44862407D-13 0.21551851D-11-0.31074035D-10 0.69963041D-13 0.80312818D-02
0.80312818D-02 0.99102615D-14-0.16785649D+00-0.16785649D+00-0.37545379D-13
-0.15250324D+01-0.15250324D+01-0.75515859D-11-0.15693908D-02 0.15693908D-02
0.63642227D-14-0.10932161D-13 0.66705251D-02 0.66705251D-02 0.24566191D+00
-0.24566191D+00 0.48902067D-13-0.73266671D-13-0.15280431D+00-0.15280431D+00
24 Alpha MO OE= 0.35394772D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.69313155D-14 0.00000000D+00 0.00000000D+00 0.14816192D-11 0.00000000D+00
0.00000000D+00-0.11085827D-10 0.00000000D+00 0.00000000D+00 0.61207140D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.15253799D-13 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.24307011D-12 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.37979887D-11
0.82103046D-14 0.00000000D+00 0.00000000D+00 0.85184736D-02 0.00000000D+00
0.00000000D+00-0.85184736D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.18646975D-11 0.00000000D+00 0.00000000D+00-0.34234643D+00 0.00000000D+00
0.00000000D+00 0.34234643D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.34958482D-14-0.74000174D-12 0.16228332D-10-0.15580843D-12 0.50061450D-14
-0.80312818D-02 0.80312818D-02-0.14037936D-12 0.16785649D+00-0.16785649D+00
-0.42967473D-11 0.15250324D+01-0.15250324D+01-0.95760293D-14 0.15693908D-02
-0.15693908D-02 0.66705251D-02-0.66705251D-02-0.32384488D-14-0.44902652D-13
-0.24566191D+00 0.24566191D+00-0.15280431D+00 0.15280431D+00-0.57401545D-13
-0.34958482D-14 0.74000174D-12-0.16228332D-10 0.15580843D-12 0.50061450D-14
-0.80312818D-02-0.80312818D-02-0.14037936D-12 0.16785649D+00 0.16785649D+00
-0.42967473D-11 0.15250324D+01 0.15250324D+01 0.95760293D-14-0.15693908D-02
0.15693908D-02-0.66705251D-02-0.66705251D-02-0.32384488D-14 0.44902652D-13
0.24566191D+00-0.24566191D+00 0.15280431D+00 0.15280431D+00-0.57401545D-13
-0.34958482D-14 0.74000174D-12-0.16228332D-10 0.15580843D-12 0.50061450D-14
0.80312818D-02 0.80312818D-02-0.14037936D-12-0.16785649D+00-0.16785649D+00
-0.42967473D-11-0.15250324D+01-0.15250324D+01 0.95760293D-14-0.15693908D-02
0.15693908D-02 0.66705251D-02 0.66705251D-02-0.32384488D-14 0.44902652D-13
0.24566191D+00-0.24566191D+00-0.15280431D+00-0.15280431D+00-0.57401545D-13
0.34958482D-14-0.74000174D-12 0.16228332D-10-0.15580843D-12 0.50061450D-14
0.80312818D-02-0.80312818D-02-0.14037936D-12-0.16785649D+00 0.16785649D+00
-0.42967473D-11-0.15250324D+01 0.15250324D+01-0.95760293D-14 0.15693908D-02
-0.15693908D-02-0.66705251D-02 0.66705251D-02-0.32384488D-14-0.44902652D-13
-0.24566191D+00 0.24566191D+00 0.15280431D+00-0.15280431D+00-0.57401545D-13
25 Alpha MO OE= 0.35394772D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.46068377D-13 0.00000000D+00 0.00000000D+00-0.51697020D-11
0.00000000D+00 0.00000000D+00 0.28621038D-10 0.00000000D+00 0.00000000D+00
-0.16288518D-11 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.41066822D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.14070140D-11 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.57238431D-11 0.00000000D+00
0.00000000D+00-0.72469540D-13 0.00000000D+00 0.00000000D+00 0.85184736D-02
0.00000000D+00 0.00000000D+00-0.85184736D-02 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.49236954D-11 0.00000000D+00 0.00000000D+00-0.34234643D+00
0.00000000D+00 0.00000000D+00 0.34234643D+00 0.00000000D+00 0.00000000D+00
-0.90869834D-13 0.35072935D-11-0.34513132D-10 0.32078702D-12-0.80312818D-02
-0.19275791D-13 0.80312818D-02 0.16785649D+00-0.24572687D-12-0.16785649D+00
0.15250324D+01 0.87040566D-11-0.15250324D+01 0.15693908D-02 0.55155218D-14
-0.15693908D-02 0.66705251D-02 0.20500635D-13-0.66705251D-02-0.24566191D+00
-0.41008801D-13 0.24566191D+00-0.15280431D+00 0.46239089D-13 0.15280431D+00
0.90869834D-13-0.35072935D-11 0.34513132D-10-0.32078702D-12-0.80312818D-02
-0.19275791D-13-0.80312818D-02 0.16785649D+00-0.24572687D-12 0.16785649D+00
0.15250324D+01 0.87040566D-11 0.15250324D+01-0.15693908D-02-0.55155218D-14
0.15693908D-02-0.66705251D-02 0.20500635D-13-0.66705251D-02 0.24566191D+00
0.41008801D-13-0.24566191D+00 0.15280431D+00 0.46239089D-13 0.15280431D+00
-0.90869834D-13 0.35072935D-11-0.34513132D-10 0.32078702D-12 0.80312818D-02
-0.19275791D-13-0.80312818D-02-0.16785649D+00-0.24572687D-12 0.16785649D+00
-0.15250324D+01 0.87040566D-11 0.15250324D+01 0.15693908D-02 0.55155218D-14
-0.15693908D-02-0.66705251D-02 0.20500635D-13 0.66705251D-02-0.24566191D+00
-0.41008801D-13 0.24566191D+00 0.15280431D+00 0.46239089D-13-0.15280431D+00
0.90869834D-13-0.35072935D-11 0.34513132D-10-0.32078702D-12 0.80312818D-02
-0.19275791D-13 0.80312818D-02-0.16785649D+00-0.24572687D-12-0.16785649D+00
-0.15250324D+01 0.87040566D-11-0.15250324D+01-0.15693908D-02-0.55155218D-14
0.15693908D-02 0.66705251D-02 0.20500635D-13 0.66705251D-02 0.24566191D+00
0.41008801D-13-0.24566191D+00-0.15280431D+00 0.46239089D-13-0.15280431D+00
26 Alpha MO OE= 0.35660694D+00
0.61448463D-01-0.21211804D+00 0.23800923D+00 0.61427573D+02-0.17482103D+02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.38926085D-01 0.38926085D-01 0.38926085D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.33341637D+00 0.33341637D+00
0.33341637D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16498489D+02
0.16498489D+02 0.16498489D+02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.27066396D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.16352312D+00
0.19029098D-01 0.27029106D+01-0.25067004D+02 0.10962067D+01 0.11857944D-02
0.11857944D-02 0.11857944D-02-0.93665793D-01-0.93665793D-01-0.93665793D-01
0.23913668D+01 0.23913668D+01 0.23913668D+01 0.16618472D-01 0.16618472D-01
0.16618472D-01 0.81545251D-02 0.81545251D-02 0.81545251D-02 0.89867821D+00
0.89867821D+00 0.89867821D+00-0.64142206D-01-0.64142206D-01-0.64142206D-01
0.19029098D-01 0.27029106D+01-0.25067004D+02 0.10962067D+01-0.11857944D-02
-0.11857944D-02 0.11857944D-02 0.93665793D-01 0.93665793D-01-0.93665793D-01
-0.23913668D+01-0.23913668D+01 0.23913668D+01 0.16618472D-01 0.16618472D-01
0.16618472D-01 0.81545251D-02-0.81545251D-02-0.81545251D-02 0.89867821D+00
0.89867821D+00 0.89867821D+00-0.64142206D-01 0.64142206D-01 0.64142206D-01
0.19029098D-01 0.27029106D+01-0.25067004D+02 0.10962067D+01-0.11857944D-02
0.11857944D-02-0.11857944D-02 0.93665793D-01-0.93665793D-01 0.93665793D-01
-0.23913668D+01 0.23913668D+01-0.23913668D+01 0.16618472D-01 0.16618472D-01
0.16618472D-01-0.81545251D-02 0.81545251D-02-0.81545251D-02 0.89867821D+00
0.89867821D+00 0.89867821D+00 0.64142206D-01-0.64142206D-01 0.64142206D-01
0.19029098D-01 0.27029106D+01-0.25067004D+02 0.10962067D+01 0.11857944D-02
-0.11857944D-02-0.11857944D-02-0.93665793D-01 0.93665793D-01 0.93665793D-01
0.23913668D+01-0.23913668D+01-0.23913668D+01 0.16618472D-01 0.16618472D-01
0.16618472D-01-0.81545251D-02-0.81545251D-02 0.81545251D-02 0.89867821D+00
0.89867821D+00 0.89867821D+00 0.64142206D-01 0.64142206D-01-0.64142206D-01
27 Alpha MO OE= 0.38808868D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.37330986D-01 0.00000000D+00 0.00000000D+00 0.65132377D+00
0.00000000D+00 0.00000000D+00-0.32852693D+01 0.00000000D+00 0.00000000D+00
-0.91607010D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.70384853D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.90622615D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.46155713D+01 0.00000000D+00
0.00000000D+00 0.14043644D-01 0.00000000D+00 0.00000000D+00 0.37535832D-01
0.00000000D+00 0.00000000D+00 0.37535832D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.57244312D+00 0.00000000D+00 0.00000000D+00 0.45365412D+00
0.00000000D+00 0.00000000D+00 0.45365412D+00 0.00000000D+00 0.00000000D+00
-0.12322493D-01-0.13557608D+01-0.10198061D+00 0.70040491D+00 0.72055941D-02
0.53575546D-02 0.72055941D-02 0.94370114D-01 0.22209191D+00 0.94370114D-01
-0.16229266D+01 0.10436796D+01-0.16229266D+01-0.13022001D-01-0.11308218D-01
-0.13022001D-01-0.11377787D-01 0.17205245D-02-0.11377787D-01-0.94268541D-01
-0.42879518D+00-0.94268541D-01 0.84775504D-01 0.27790815D-01 0.84775504D-01
0.12322493D-01 0.13557608D+01 0.10198061D+00-0.70040491D+00 0.72055941D-02
0.53575546D-02-0.72055941D-02 0.94370114D-01 0.22209191D+00-0.94370114D-01
-0.16229266D+01 0.10436796D+01 0.16229266D+01 0.13022001D-01 0.11308218D-01
0.13022001D-01 0.11377787D-01 0.17205245D-02-0.11377787D-01 0.94268541D-01
0.42879518D+00 0.94268541D-01-0.84775504D-01 0.27790815D-01 0.84775504D-01
-0.12322493D-01-0.13557608D+01-0.10198061D+00 0.70040491D+00-0.72055941D-02
0.53575546D-02-0.72055941D-02-0.94370114D-01 0.22209191D+00-0.94370114D-01
0.16229266D+01 0.10436796D+01 0.16229266D+01-0.13022001D-01-0.11308218D-01
-0.13022001D-01 0.11377787D-01 0.17205245D-02 0.11377787D-01-0.94268541D-01
-0.42879518D+00-0.94268541D-01-0.84775504D-01 0.27790815D-01-0.84775504D-01
0.12322493D-01 0.13557608D+01 0.10198061D+00-0.70040491D+00-0.72055941D-02
0.53575546D-02 0.72055941D-02-0.94370114D-01 0.22209191D+00 0.94370114D-01
0.16229266D+01 0.10436796D+01-0.16229266D+01 0.13022001D-01 0.11308218D-01
0.13022001D-01-0.11377787D-01 0.17205245D-02 0.11377787D-01 0.94268541D-01
0.42879518D+00 0.94268541D-01 0.84775504D-01 0.27790815D-01-0.84775504D-01
28 Alpha MO OE= 0.38808868D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.37330986D-01 0.00000000D+00 0.00000000D+00 0.65132377D+00 0.00000000D+00
0.00000000D+00-0.32852693D+01 0.00000000D+00 0.00000000D+00-0.91607010D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.70384853D-02 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.90622615D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.46155713D+01
0.14043644D-01 0.00000000D+00 0.00000000D+00 0.37535832D-01 0.00000000D+00
0.00000000D+00 0.37535832D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.57244312D+00 0.00000000D+00 0.00000000D+00 0.45365412D+00 0.00000000D+00
0.00000000D+00 0.45365412D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.12322493D-01-0.13557608D+01-0.10198061D+00 0.70040491D+00 0.53575546D-02
0.72055941D-02 0.72055941D-02 0.22209191D+00 0.94370114D-01 0.94370114D-01
0.10436796D+01-0.16229266D+01-0.16229266D+01-0.11308218D-01-0.13022001D-01
-0.13022001D-01-0.11377787D-01-0.11377787D-01 0.17205245D-02-0.42879518D+00
-0.94268541D-01-0.94268541D-01 0.84775504D-01 0.84775504D-01 0.27790815D-01
0.12322493D-01 0.13557608D+01 0.10198061D+00-0.70040491D+00 0.53575546D-02
0.72055941D-02-0.72055941D-02 0.22209191D+00 0.94370114D-01-0.94370114D-01
0.10436796D+01-0.16229266D+01 0.16229266D+01 0.11308218D-01 0.13022001D-01
0.13022001D-01 0.11377787D-01-0.11377787D-01 0.17205245D-02 0.42879518D+00
0.94268541D-01 0.94268541D-01-0.84775504D-01 0.84775504D-01 0.27790815D-01
0.12322493D-01 0.13557608D+01 0.10198061D+00-0.70040491D+00 0.53575546D-02
-0.72055941D-02 0.72055941D-02 0.22209191D+00-0.94370114D-01 0.94370114D-01
0.10436796D+01 0.16229266D+01-0.16229266D+01 0.11308218D-01 0.13022001D-01
0.13022001D-01-0.11377787D-01 0.11377787D-01 0.17205245D-02 0.42879518D+00
0.94268541D-01 0.94268541D-01 0.84775504D-01-0.84775504D-01 0.27790815D-01
-0.12322493D-01-0.13557608D+01-0.10198061D+00 0.70040491D+00 0.53575546D-02
-0.72055941D-02-0.72055941D-02 0.22209191D+00-0.94370114D-01-0.94370114D-01
0.10436796D+01 0.16229266D+01 0.16229266D+01-0.11308218D-01-0.13022001D-01
-0.13022001D-01 0.11377787D-01 0.11377787D-01 0.17205245D-02-0.42879518D+00
-0.94268541D-01-0.94268541D-01-0.84775504D-01-0.84775504D-01 0.27790815D-01
29 Alpha MO OE= 0.38808868D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.37330986D-01 0.00000000D+00 0.00000000D+00
0.65132377D+00 0.00000000D+00 0.00000000D+00-0.32852693D+01 0.00000000D+00
0.00000000D+00-0.91607010D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.70384853D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.90622615D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.46155713D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.14043644D-01 0.00000000D+00 0.00000000D+00
0.37535832D-01 0.00000000D+00 0.00000000D+00 0.37535832D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.57244312D+00 0.00000000D+00 0.00000000D+00
0.45365412D+00 0.00000000D+00 0.00000000D+00 0.45365412D+00 0.00000000D+00
-0.12322493D-01-0.13557608D+01-0.10198061D+00 0.70040491D+00 0.72055941D-02
0.72055941D-02 0.53575546D-02 0.94370114D-01 0.94370114D-01 0.22209191D+00
-0.16229266D+01-0.16229266D+01 0.10436796D+01-0.13022001D-01-0.13022001D-01
-0.11308218D-01 0.17205245D-02-0.11377787D-01-0.11377787D-01-0.94268541D-01
-0.94268541D-01-0.42879518D+00 0.27790815D-01 0.84775504D-01 0.84775504D-01
-0.12322493D-01-0.13557608D+01-0.10198061D+00 0.70040491D+00-0.72055941D-02
-0.72055941D-02 0.53575546D-02-0.94370114D-01-0.94370114D-01 0.22209191D+00
0.16229266D+01 0.16229266D+01 0.10436796D+01-0.13022001D-01-0.13022001D-01
-0.11308218D-01 0.17205245D-02 0.11377787D-01 0.11377787D-01-0.94268541D-01
-0.94268541D-01-0.42879518D+00 0.27790815D-01-0.84775504D-01-0.84775504D-01
0.12322493D-01 0.13557608D+01 0.10198061D+00-0.70040491D+00 0.72055941D-02
-0.72055941D-02 0.53575546D-02 0.94370114D-01-0.94370114D-01 0.22209191D+00
-0.16229266D+01 0.16229266D+01 0.10436796D+01 0.13022001D-01 0.13022001D-01
0.11308218D-01 0.17205245D-02 0.11377787D-01-0.11377787D-01 0.94268541D-01
0.94268541D-01 0.42879518D+00 0.27790815D-01-0.84775504D-01 0.84775504D-01
0.12322493D-01 0.13557608D+01 0.10198061D+00-0.70040491D+00-0.72055941D-02
0.72055941D-02 0.53575546D-02-0.94370114D-01 0.94370114D-01 0.22209191D+00
0.16229266D+01-0.16229266D+01 0.10436796D+01 0.13022001D-01 0.13022001D-01
0.11308218D-01 0.17205245D-02-0.11377787D-01 0.11377787D-01 0.94268541D-01
0.94268541D-01 0.42879518D+00 0.27790815D-01 0.84775504D-01-0.84775504D-01
30 Alpha MO OE= 0.44550578D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.10849863D+00 0.00000000D+00 0.00000000D+00 0.15324458D+01
0.00000000D+00 0.00000000D+00-0.23768375D+02 0.00000000D+00 0.00000000D+00
-0.14764795D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.99416456D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.28401219D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.61886740D+01 0.00000000D+00
0.00000000D+00 0.45233463D-01 0.00000000D+00 0.00000000D+00 0.15317630D-01
0.00000000D+00 0.00000000D+00 0.15317630D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.25756258D+01 0.00000000D+00 0.00000000D+00 0.10549233D+01
0.00000000D+00 0.00000000D+00 0.10549233D+01 0.00000000D+00 0.00000000D+00
0.38563008D-01-0.40112062D+00 0.29201740D+02 0.16198376D+01 0.14300728D-02
0.35432191D-02 0.14300728D-02-0.74739670D-02-0.18720277D+00-0.74739670D-02
-0.38194030D+01-0.65892759D+01-0.38194030D+01 0.90916810D-02 0.34795898D-02
0.90916810D-02 0.26045917D-02 0.14224494D-02 0.26045917D-02-0.24822597D+00
0.90293809D-01-0.24822597D+00 0.17972221D+00 0.32159279D-01 0.17972221D+00
-0.38563008D-01 0.40112062D+00-0.29201740D+02-0.16198376D+01 0.14300728D-02
0.35432191D-02-0.14300728D-02-0.74739670D-02-0.18720277D+00 0.74739670D-02
-0.38194030D+01-0.65892759D+01 0.38194030D+01-0.90916810D-02-0.34795898D-02
-0.90916810D-02-0.26045917D-02 0.14224494D-02 0.26045917D-02 0.24822597D+00
-0.90293809D-01 0.24822597D+00-0.17972221D+00 0.32159279D-01 0.17972221D+00
0.38563008D-01-0.40112062D+00 0.29201740D+02 0.16198376D+01-0.14300728D-02
0.35432191D-02-0.14300728D-02 0.74739670D-02-0.18720277D+00 0.74739670D-02
0.38194030D+01-0.65892759D+01 0.38194030D+01 0.90916810D-02 0.34795898D-02
0.90916810D-02-0.26045917D-02 0.14224494D-02-0.26045917D-02-0.24822597D+00
0.90293809D-01-0.24822597D+00-0.17972221D+00 0.32159279D-01-0.17972221D+00
-0.38563008D-01 0.40112062D+00-0.29201740D+02-0.16198376D+01-0.14300728D-02
0.35432191D-02 0.14300728D-02 0.74739670D-02-0.18720277D+00-0.74739670D-02
0.38194030D+01-0.65892759D+01-0.38194030D+01-0.90916810D-02-0.34795898D-02
-0.90916810D-02 0.26045917D-02 0.14224494D-02-0.26045917D-02 0.24822597D+00
-0.90293809D-01 0.24822597D+00 0.17972221D+00 0.32159279D-01-0.17972221D+00
31 Alpha MO OE= 0.44550578D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.10849863D+00 0.00000000D+00 0.00000000D+00
0.15324458D+01 0.00000000D+00 0.00000000D+00-0.23768375D+02 0.00000000D+00
0.00000000D+00-0.14764795D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.99416456D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.28401219D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.61886740D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.45233463D-01 0.00000000D+00 0.00000000D+00
0.15317630D-01 0.00000000D+00 0.00000000D+00 0.15317630D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.25756258D+01 0.00000000D+00 0.00000000D+00
0.10549233D+01 0.00000000D+00 0.00000000D+00 0.10549233D+01 0.00000000D+00
0.38563008D-01-0.40112062D+00 0.29201740D+02 0.16198376D+01 0.14300728D-02
0.14300728D-02 0.35432191D-02-0.74739670D-02-0.74739670D-02-0.18720277D+00
-0.38194030D+01-0.38194030D+01-0.65892759D+01 0.90916810D-02 0.90916810D-02
0.34795898D-02 0.14224494D-02 0.26045917D-02 0.26045917D-02-0.24822597D+00
-0.24822597D+00 0.90293809D-01 0.32159279D-01 0.17972221D+00 0.17972221D+00
0.38563008D-01-0.40112062D+00 0.29201740D+02 0.16198376D+01-0.14300728D-02
-0.14300728D-02 0.35432191D-02 0.74739670D-02 0.74739670D-02-0.18720277D+00
0.38194030D+01 0.38194030D+01-0.65892759D+01 0.90916810D-02 0.90916810D-02
0.34795898D-02 0.14224494D-02-0.26045917D-02-0.26045917D-02-0.24822597D+00
-0.24822597D+00 0.90293809D-01 0.32159279D-01-0.17972221D+00-0.17972221D+00
-0.38563008D-01 0.40112062D+00-0.29201740D+02-0.16198376D+01 0.14300728D-02
-0.14300728D-02 0.35432191D-02-0.74739670D-02 0.74739670D-02-0.18720277D+00
-0.38194030D+01 0.38194030D+01-0.65892759D+01-0.90916810D-02-0.90916810D-02
-0.34795898D-02 0.14224494D-02-0.26045917D-02 0.26045917D-02 0.24822597D+00
0.24822597D+00-0.90293809D-01 0.32159279D-01-0.17972221D+00 0.17972221D+00
-0.38563008D-01 0.40112062D+00-0.29201740D+02-0.16198376D+01-0.14300728D-02
0.14300728D-02 0.35432191D-02 0.74739670D-02-0.74739670D-02-0.18720277D+00
0.38194030D+01-0.38194030D+01-0.65892759D+01-0.90916810D-02-0.90916810D-02
-0.34795898D-02 0.14224494D-02 0.26045917D-02-0.26045917D-02 0.24822597D+00
0.24822597D+00-0.90293809D-01 0.32159279D-01 0.17972221D+00-0.17972221D+00
32 Alpha MO OE= 0.44550578D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.10849863D+00 0.00000000D+00 0.00000000D+00 0.15324458D+01 0.00000000D+00
0.00000000D+00-0.23768375D+02 0.00000000D+00 0.00000000D+00-0.14764795D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.99416456D-02 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.28401219D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.61886740D+01
0.45233463D-01 0.00000000D+00 0.00000000D+00 0.15317630D-01 0.00000000D+00
0.00000000D+00 0.15317630D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.25756258D+01 0.00000000D+00 0.00000000D+00 0.10549233D+01 0.00000000D+00
0.00000000D+00 0.10549233D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.38563008D-01-0.40112062D+00 0.29201740D+02 0.16198376D+01 0.35432191D-02
0.14300728D-02 0.14300728D-02-0.18720277D+00-0.74739670D-02-0.74739670D-02
-0.65892759D+01-0.38194030D+01-0.38194030D+01 0.34795898D-02 0.90916810D-02
0.90916810D-02 0.26045917D-02 0.26045917D-02 0.14224494D-02 0.90293809D-01
-0.24822597D+00-0.24822597D+00 0.17972221D+00 0.17972221D+00 0.32159279D-01
-0.38563008D-01 0.40112062D+00-0.29201740D+02-0.16198376D+01 0.35432191D-02
0.14300728D-02-0.14300728D-02-0.18720277D+00-0.74739670D-02 0.74739670D-02
-0.65892759D+01-0.38194030D+01 0.38194030D+01-0.34795898D-02-0.90916810D-02
-0.90916810D-02-0.26045917D-02 0.26045917D-02 0.14224494D-02-0.90293809D-01
0.24822597D+00 0.24822597D+00-0.17972221D+00 0.17972221D+00 0.32159279D-01
-0.38563008D-01 0.40112062D+00-0.29201740D+02-0.16198376D+01 0.35432191D-02
-0.14300728D-02 0.14300728D-02-0.18720277D+00 0.74739670D-02-0.74739670D-02
-0.65892759D+01 0.38194030D+01-0.38194030D+01-0.34795898D-02-0.90916810D-02
-0.90916810D-02 0.26045917D-02-0.26045917D-02 0.14224494D-02-0.90293809D-01
0.24822597D+00 0.24822597D+00 0.17972221D+00-0.17972221D+00 0.32159279D-01
0.38563008D-01-0.40112062D+00 0.29201740D+02 0.16198376D+01 0.35432191D-02
-0.14300728D-02-0.14300728D-02-0.18720277D+00 0.74739670D-02 0.74739670D-02
-0.65892759D+01 0.38194030D+01 0.38194030D+01 0.34795898D-02 0.90916810D-02
0.90916810D-02-0.26045917D-02-0.26045917D-02 0.14224494D-02 0.90293809D-01
-0.24822597D+00-0.24822597D+00-0.17972221D+00-0.17972221D+00 0.32159279D-01
33 Alpha MO OE= 0.50040214D+00
-0.10790333D-11 0.50886100D-11-0.17100718D-10 0.28606397D-08-0.25837158D-09
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.87896885D-02-0.57552492D-02 0.14544938D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.36938887D+00-0.24186579D+00
0.61125466D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.55458497D+01
-0.36312717D+01 0.91771213D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.23525401D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.58905933D-11
0.90875974D-12 0.17442882D-10-0.96032464D-09 0.87227766D-11-0.13962337D-01
-0.91421591D-02 0.23104496D-01 0.12924927D+00 0.84628907D-01-0.21387817D+00
0.24891651D+01 0.16298377D+01-0.41190028D+01-0.34631260D-02-0.22675608D-02
0.57306868D-02-0.75242504D-03 0.29772514D-03 0.45469990D-03-0.10329817D+00
-0.67636835D-01 0.17093500D+00-0.20602413D+00 0.81521163D-01 0.12450297D+00
0.90875974D-12 0.17442882D-10-0.96032464D-09 0.87227766D-11 0.13962337D-01
0.91421591D-02 0.23104496D-01-0.12924927D+00-0.84628907D-01-0.21387817D+00
-0.24891651D+01-0.16298377D+01-0.41190028D+01-0.34631260D-02-0.22675608D-02
0.57306868D-02-0.75242504D-03-0.29772514D-03-0.45469990D-03-0.10329817D+00
-0.67636835D-01 0.17093500D+00-0.20602413D+00-0.81521163D-01-0.12450297D+00
0.90875974D-12 0.17442882D-10-0.96032464D-09 0.87227766D-11 0.13962337D-01
-0.91421591D-02-0.23104496D-01-0.12924927D+00 0.84628907D-01 0.21387817D+00
-0.24891651D+01 0.16298377D+01 0.41190028D+01-0.34631260D-02-0.22675608D-02
0.57306868D-02 0.75242504D-03 0.29772514D-03-0.45469990D-03-0.10329817D+00
-0.67636835D-01 0.17093500D+00 0.20602413D+00 0.81521163D-01-0.12450297D+00
0.90875974D-12 0.17442882D-10-0.96032464D-09 0.87227766D-11-0.13962337D-01
0.91421591D-02-0.23104496D-01 0.12924927D+00-0.84628907D-01 0.21387817D+00
0.24891651D+01-0.16298377D+01 0.41190028D+01-0.34631260D-02-0.22675608D-02
0.57306868D-02 0.75242504D-03-0.29772514D-03 0.45469990D-03-0.10329817D+00
-0.67636835D-01 0.17093500D+00 0.20602413D+00-0.81521163D-01 0.12450297D+00
34 Alpha MO OE= 0.50040214D+00
-0.83473687D-12 0.40122985D-11-0.15450659D-10 0.24507845D-08-0.23318873D-09
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.11720318D-01 0.13472253D-01-0.17519343D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.49254932D+00 0.56617480D+00
-0.73625481D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.73949291D+01
0.85003113D+01-0.11053821D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21125995D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.73882812D-11
0.66743738D-12 0.33935832D-11-0.80321804D-09 0.86170890D-11-0.18617615D-01
0.21400547D-01-0.27829312D-02 0.17234314D+00-0.19810472D+00 0.25761576D-01
0.33190946D+01-0.38152275D+01 0.49613292D+00-0.46177904D-02 0.53080503D-02
-0.69025989D-03 0.90629420D-04-0.69693391D-03 0.60630449D-03-0.13773952D+00
0.15832860D+00-0.20589081D-01 0.24815559D-01-0.19082991D+00 0.16601436D+00
0.66743738D-12 0.33935832D-11-0.80321804D-09 0.86170890D-11 0.18617615D-01
-0.21400547D-01-0.27829312D-02-0.17234314D+00 0.19810472D+00 0.25761576D-01
-0.33190946D+01 0.38152275D+01 0.49613292D+00-0.46177904D-02 0.53080503D-02
-0.69025989D-03 0.90629420D-04 0.69693391D-03-0.60630449D-03-0.13773952D+00
0.15832860D+00-0.20589081D-01 0.24815559D-01 0.19082991D+00-0.16601436D+00
0.66743738D-12 0.33935832D-11-0.80321804D-09 0.86170890D-11 0.18617615D-01
0.21400547D-01 0.27829312D-02-0.17234314D+00-0.19810472D+00-0.25761576D-01
-0.33190946D+01-0.38152275D+01-0.49613292D+00-0.46177904D-02 0.53080503D-02
-0.69025989D-03-0.90629420D-04-0.69693391D-03-0.60630449D-03-0.13773952D+00
0.15832860D+00-0.20589081D-01-0.24815559D-01-0.19082991D+00-0.16601436D+00
0.66743738D-12 0.33935832D-11-0.80321804D-09 0.86170890D-11-0.18617615D-01
-0.21400547D-01 0.27829312D-02 0.17234314D+00 0.19810472D+00-0.25761576D-01
0.33190946D+01 0.38152275D+01-0.49613292D+00-0.46177904D-02 0.53080503D-02
-0.69025989D-03-0.90629420D-04 0.69693391D-03 0.60630449D-03-0.13773952D+00
0.15832860D+00-0.20589081D-01-0.24815559D-01 0.19082991D+00 0.16601436D+00
35 Alpha MO OE= 0.52057733D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.88678133D-01 0.00000000D+00 0.00000000D+00-0.12994886D+00 0.00000000D+00
0.00000000D+00 0.42243352D+01 0.00000000D+00 0.00000000D+00 0.17783178D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.77254794D-02 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.86984423D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.13952022D+00
-0.13225368D-01 0.00000000D+00 0.00000000D+00-0.25717651D-01 0.00000000D+00
0.00000000D+00-0.25717651D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.33088591D+00 0.00000000D+00 0.00000000D+00-0.39751783D+00 0.00000000D+00
0.00000000D+00-0.39751783D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.12308368D+00-0.15781433D+01 0.87856792D+01-0.11564185D+01 0.68141749D-02
-0.16656356D-01-0.16656356D-01-0.29815717D+00 0.94263412D-02 0.94263412D-02
-0.36749649D+01-0.75787836D+00-0.75787836D+00-0.37564875D-01-0.43115952D-01
-0.43115952D-01-0.53353387D-03-0.53353387D-03-0.11251756D-02-0.95088474D+00
-0.11394200D+01-0.11394200D+01 0.17339105D+00 0.17339105D+00-0.13784779D+00
0.12308368D+00 0.15781433D+01-0.87856792D+01 0.11564185D+01 0.68141749D-02
-0.16656356D-01 0.16656356D-01-0.29815717D+00 0.94263412D-02-0.94263412D-02
-0.36749649D+01-0.75787836D+00 0.75787836D+00 0.37564875D-01 0.43115952D-01
0.43115952D-01 0.53353387D-03-0.53353387D-03-0.11251756D-02 0.95088474D+00
0.11394200D+01 0.11394200D+01-0.17339105D+00 0.17339105D+00-0.13784779D+00
0.12308368D+00 0.15781433D+01-0.87856792D+01 0.11564185D+01 0.68141749D-02
0.16656356D-01-0.16656356D-01-0.29815717D+00-0.94263412D-02 0.94263412D-02
-0.36749649D+01 0.75787836D+00-0.75787836D+00 0.37564875D-01 0.43115952D-01
0.43115952D-01-0.53353387D-03 0.53353387D-03-0.11251756D-02 0.95088474D+00
0.11394200D+01 0.11394200D+01 0.17339105D+00-0.17339105D+00-0.13784779D+00
-0.12308368D+00-0.15781433D+01 0.87856792D+01-0.11564185D+01 0.68141749D-02
0.16656356D-01 0.16656356D-01-0.29815717D+00-0.94263412D-02-0.94263412D-02
-0.36749649D+01 0.75787836D+00 0.75787836D+00-0.37564875D-01-0.43115952D-01
-0.43115952D-01 0.53353387D-03 0.53353387D-03-0.11251756D-02-0.95088474D+00
-0.11394200D+01-0.11394200D+01-0.17339105D+00-0.17339105D+00-0.13784779D+00
36 Alpha MO OE= 0.52057733D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.88678133D-01 0.00000000D+00 0.00000000D+00-0.12994886D+00
0.00000000D+00 0.00000000D+00 0.42243352D+01 0.00000000D+00 0.00000000D+00
0.17783178D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.77254794D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.86984423D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.13952022D+00 0.00000000D+00
0.00000000D+00-0.13225368D-01 0.00000000D+00 0.00000000D+00-0.25717651D-01
0.00000000D+00 0.00000000D+00-0.25717651D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.33088591D+00 0.00000000D+00 0.00000000D+00-0.39751783D+00
0.00000000D+00 0.00000000D+00-0.39751783D+00 0.00000000D+00 0.00000000D+00
-0.12308368D+00-0.15781433D+01 0.87856792D+01-0.11564185D+01-0.16656356D-01
0.68141749D-02-0.16656356D-01 0.94263412D-02-0.29815717D+00 0.94263412D-02
-0.75787836D+00-0.36749649D+01-0.75787836D+00-0.43115952D-01-0.37564875D-01
-0.43115952D-01-0.53353387D-03-0.11251756D-02-0.53353387D-03-0.11394200D+01
-0.95088474D+00-0.11394200D+01 0.17339105D+00-0.13784779D+00 0.17339105D+00
0.12308368D+00 0.15781433D+01-0.87856792D+01 0.11564185D+01-0.16656356D-01
0.68141749D-02 0.16656356D-01 0.94263412D-02-0.29815717D+00-0.94263412D-02
-0.75787836D+00-0.36749649D+01 0.75787836D+00 0.43115952D-01 0.37564875D-01
0.43115952D-01 0.53353387D-03-0.11251756D-02-0.53353387D-03 0.11394200D+01
0.95088474D+00 0.11394200D+01-0.17339105D+00-0.13784779D+00 0.17339105D+00
-0.12308368D+00-0.15781433D+01 0.87856792D+01-0.11564185D+01 0.16656356D-01
0.68141749D-02 0.16656356D-01-0.94263412D-02-0.29815717D+00-0.94263412D-02
0.75787836D+00-0.36749649D+01 0.75787836D+00-0.43115952D-01-0.37564875D-01
-0.43115952D-01 0.53353387D-03-0.11251756D-02 0.53353387D-03-0.11394200D+01
-0.95088474D+00-0.11394200D+01-0.17339105D+00-0.13784779D+00-0.17339105D+00
0.12308368D+00 0.15781433D+01-0.87856792D+01 0.11564185D+01 0.16656356D-01
0.68141749D-02-0.16656356D-01-0.94263412D-02-0.29815717D+00 0.94263412D-02
0.75787836D+00-0.36749649D+01-0.75787836D+00 0.43115952D-01 0.37564875D-01
0.43115952D-01-0.53353387D-03-0.11251756D-02 0.53353387D-03 0.11394200D+01
0.95088474D+00 0.11394200D+01 0.17339105D+00-0.13784779D+00-0.17339105D+00
37 Alpha MO OE= 0.52057733D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.88678133D-01 0.00000000D+00 0.00000000D+00
-0.12994886D+00 0.00000000D+00 0.00000000D+00 0.42243352D+01 0.00000000D+00
0.00000000D+00 0.17783178D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.77254794D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.86984423D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.13952022D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.13225368D-01 0.00000000D+00 0.00000000D+00
-0.25717651D-01 0.00000000D+00 0.00000000D+00-0.25717651D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.33088591D+00 0.00000000D+00 0.00000000D+00
-0.39751783D+00 0.00000000D+00 0.00000000D+00-0.39751783D+00 0.00000000D+00
-0.12308368D+00-0.15781433D+01 0.87856792D+01-0.11564185D+01-0.16656356D-01
-0.16656356D-01 0.68141749D-02 0.94263412D-02 0.94263412D-02-0.29815717D+00
-0.75787836D+00-0.75787836D+00-0.36749649D+01-0.43115952D-01-0.43115952D-01
-0.37564875D-01-0.11251756D-02-0.53353387D-03-0.53353387D-03-0.11394200D+01
-0.11394200D+01-0.95088474D+00-0.13784779D+00 0.17339105D+00 0.17339105D+00
-0.12308368D+00-0.15781433D+01 0.87856792D+01-0.11564185D+01 0.16656356D-01
0.16656356D-01 0.68141749D-02-0.94263412D-02-0.94263412D-02-0.29815717D+00
0.75787836D+00 0.75787836D+00-0.36749649D+01-0.43115952D-01-0.43115952D-01
-0.37564875D-01-0.11251756D-02 0.53353387D-03 0.53353387D-03-0.11394200D+01
-0.11394200D+01-0.95088474D+00-0.13784779D+00-0.17339105D+00-0.17339105D+00
0.12308368D+00 0.15781433D+01-0.87856792D+01 0.11564185D+01-0.16656356D-01
0.16656356D-01 0.68141749D-02 0.94263412D-02-0.94263412D-02-0.29815717D+00
-0.75787836D+00 0.75787836D+00-0.36749649D+01 0.43115952D-01 0.43115952D-01
0.37564875D-01-0.11251756D-02 0.53353387D-03-0.53353387D-03 0.11394200D+01
0.11394200D+01 0.95088474D+00-0.13784779D+00-0.17339105D+00 0.17339105D+00
0.12308368D+00 0.15781433D+01-0.87856792D+01 0.11564185D+01 0.16656356D-01
-0.16656356D-01 0.68141749D-02-0.94263412D-02 0.94263412D-02-0.29815717D+00
0.75787836D+00-0.75787836D+00-0.36749649D+01 0.43115952D-01 0.43115952D-01
0.37564875D-01-0.11251756D-02-0.53353387D-03 0.53353387D-03 0.11394200D+01
0.11394200D+01 0.95088474D+00-0.13784779D+00 0.17339105D+00-0.17339105D+00
38 Alpha MO OE= 0.54343551D+00
-0.80335444D-01 0.33629837D+00-0.10174646D+01 0.19673410D+03-0.20728104D+02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.13578970D+00-0.13578970D+00-0.13578970D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.13159119D+01-0.13159119D+01
-0.13159119D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.33210450D+02
0.33210450D+02 0.33210450D+02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14686538D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.32835165D+00
0.31571697D-01 0.10008203D+01-0.65175188D+02 0.79132856D+00 0.81883859D-02
0.81883859D-02 0.81883859D-02 0.49830702D+00 0.49830702D+00 0.49830702D+00
0.85017197D+01 0.85017197D+01 0.85017197D+01 0.22616816D-01 0.22616816D-01
0.22616816D-01-0.30880788D-01-0.30880788D-01-0.30880788D-01 0.10933462D+01
0.10933462D+01 0.10933462D+01-0.27304331D+00-0.27304331D+00-0.27304331D+00
0.31571697D-01 0.10008203D+01-0.65175188D+02 0.79132856D+00-0.81883859D-02
-0.81883859D-02 0.81883859D-02-0.49830702D+00-0.49830702D+00 0.49830702D+00
-0.85017197D+01-0.85017197D+01 0.85017197D+01 0.22616816D-01 0.22616816D-01
0.22616816D-01-0.30880788D-01 0.30880788D-01 0.30880788D-01 0.10933462D+01
0.10933462D+01 0.10933462D+01-0.27304331D+00 0.27304331D+00 0.27304331D+00
0.31571697D-01 0.10008203D+01-0.65175188D+02 0.79132856D+00-0.81883859D-02
0.81883859D-02-0.81883859D-02-0.49830702D+00 0.49830702D+00-0.49830702D+00
-0.85017197D+01 0.85017197D+01-0.85017197D+01 0.22616816D-01 0.22616816D-01
0.22616816D-01 0.30880788D-01-0.30880788D-01 0.30880788D-01 0.10933462D+01
0.10933462D+01 0.10933462D+01 0.27304331D+00-0.27304331D+00 0.27304331D+00
0.31571697D-01 0.10008203D+01-0.65175188D+02 0.79132856D+00 0.81883859D-02
-0.81883859D-02-0.81883859D-02 0.49830702D+00-0.49830702D+00-0.49830702D+00
0.85017197D+01-0.85017197D+01-0.85017197D+01 0.22616816D-01 0.22616816D-01
0.22616816D-01 0.30880788D-01 0.30880788D-01-0.30880788D-01 0.10933462D+01
0.10933462D+01 0.10933462D+01 0.27304331D+00 0.27304331D+00-0.27304331D+00
39 Alpha MO OE= 0.73481546D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.25531560D+00 0.00000000D+00 0.00000000D+00-0.63650380D+01
0.00000000D+00 0.00000000D+00 0.36387545D+02 0.00000000D+00 0.00000000D+00
0.37669335D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.41508172D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.19834070D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.51336206D+01 0.00000000D+00
0.00000000D+00-0.13063118D+00 0.00000000D+00 0.00000000D+00-0.13619332D+00
0.00000000D+00 0.00000000D+00-0.13619332D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.51289235D+01 0.00000000D+00 0.00000000D+00-0.29499140D+01
0.00000000D+00 0.00000000D+00-0.29499140D+01 0.00000000D+00 0.00000000D+00
-0.16933185D-02 0.31623167D+01-0.26894755D+02-0.21160860D+01 0.66831127D-02
0.12295368D-01 0.66831127D-02-0.54255287D+00-0.72764145D+00-0.54255287D+00
0.34019075D+01 0.23169446D+01 0.34019075D+01 0.14588284D-01 0.32938268D-01
0.14588284D-01 0.21255812D-01 0.19115177D-01 0.21255812D-01 0.29482064D+00
0.27965883D+00 0.29482064D+00 0.22596655D+00 0.74451719D-01 0.22596655D+00
0.16933185D-02-0.31623167D+01 0.26894755D+02 0.21160860D+01 0.66831127D-02
0.12295368D-01-0.66831127D-02-0.54255287D+00-0.72764145D+00 0.54255287D+00
0.34019075D+01 0.23169446D+01-0.34019075D+01-0.14588284D-01-0.32938268D-01
-0.14588284D-01-0.21255812D-01 0.19115177D-01 0.21255812D-01-0.29482064D+00
-0.27965883D+00-0.29482064D+00-0.22596655D+00 0.74451719D-01 0.22596655D+00
-0.16933185D-02 0.31623167D+01-0.26894755D+02-0.21160860D+01-0.66831127D-02
0.12295368D-01-0.66831127D-02 0.54255287D+00-0.72764145D+00 0.54255287D+00
-0.34019075D+01 0.23169446D+01-0.34019075D+01 0.14588284D-01 0.32938268D-01
0.14588284D-01-0.21255812D-01 0.19115177D-01-0.21255812D-01 0.29482064D+00
0.27965883D+00 0.29482064D+00-0.22596655D+00 0.74451719D-01-0.22596655D+00
0.16933185D-02-0.31623167D+01 0.26894755D+02 0.21160860D+01-0.66831127D-02
0.12295368D-01 0.66831127D-02 0.54255287D+00-0.72764145D+00-0.54255287D+00
-0.34019075D+01 0.23169446D+01 0.34019075D+01-0.14588284D-01-0.32938268D-01
-0.14588284D-01 0.21255812D-01 0.19115177D-01-0.21255812D-01-0.29482064D+00
-0.27965883D+00-0.29482064D+00 0.22596655D+00 0.74451719D-01-0.22596655D+00
40 Alpha MO OE= 0.73481546D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.25531560D+00 0.00000000D+00 0.00000000D+00
-0.63650380D+01 0.00000000D+00 0.00000000D+00 0.36387545D+02 0.00000000D+00
0.00000000D+00 0.37669335D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.41508172D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.19834070D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.51336206D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.13063118D+00 0.00000000D+00 0.00000000D+00
-0.13619332D+00 0.00000000D+00 0.00000000D+00-0.13619332D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.51289235D+01 0.00000000D+00 0.00000000D+00
-0.29499140D+01 0.00000000D+00 0.00000000D+00-0.29499140D+01 0.00000000D+00
-0.16933185D-02 0.31623167D+01-0.26894755D+02-0.21160860D+01 0.66831127D-02
0.66831127D-02 0.12295368D-01-0.54255287D+00-0.54255287D+00-0.72764145D+00
0.34019075D+01 0.34019075D+01 0.23169446D+01 0.14588284D-01 0.14588284D-01
0.32938268D-01 0.19115177D-01 0.21255812D-01 0.21255812D-01 0.29482064D+00
0.29482064D+00 0.27965883D+00 0.74451719D-01 0.22596655D+00 0.22596655D+00
-0.16933185D-02 0.31623167D+01-0.26894755D+02-0.21160860D+01-0.66831127D-02
-0.66831127D-02 0.12295368D-01 0.54255287D+00 0.54255287D+00-0.72764145D+00
-0.34019075D+01-0.34019075D+01 0.23169446D+01 0.14588284D-01 0.14588284D-01
0.32938268D-01 0.19115177D-01-0.21255812D-01-0.21255812D-01 0.29482064D+00
0.29482064D+00 0.27965883D+00 0.74451719D-01-0.22596655D+00-0.22596655D+00
0.16933185D-02-0.31623167D+01 0.26894755D+02 0.21160860D+01 0.66831127D-02
-0.66831127D-02 0.12295368D-01-0.54255287D+00 0.54255287D+00-0.72764145D+00
0.34019075D+01-0.34019075D+01 0.23169446D+01-0.14588284D-01-0.14588284D-01
-0.32938268D-01 0.19115177D-01-0.21255812D-01 0.21255812D-01-0.29482064D+00
-0.29482064D+00-0.27965883D+00 0.74451719D-01-0.22596655D+00 0.22596655D+00
0.16933185D-02-0.31623167D+01 0.26894755D+02 0.21160860D+01-0.66831127D-02
0.66831127D-02 0.12295368D-01 0.54255287D+00-0.54255287D+00-0.72764145D+00
-0.34019075D+01 0.34019075D+01 0.23169446D+01-0.14588284D-01-0.14588284D-01
-0.32938268D-01 0.19115177D-01 0.21255812D-01-0.21255812D-01-0.29482064D+00
-0.29482064D+00-0.27965883D+00 0.74451719D-01 0.22596655D+00-0.22596655D+00
41 Alpha MO OE= 0.73481546D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.25531560D+00 0.00000000D+00 0.00000000D+00-0.63650380D+01 0.00000000D+00
0.00000000D+00 0.36387545D+02 0.00000000D+00 0.00000000D+00 0.37669335D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.41508172D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.19834070D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.51336206D+01
-0.13063118D+00 0.00000000D+00 0.00000000D+00-0.13619332D+00 0.00000000D+00
0.00000000D+00-0.13619332D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.51289235D+01 0.00000000D+00 0.00000000D+00-0.29499140D+01 0.00000000D+00
0.00000000D+00-0.29499140D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.16933185D-02 0.31623167D+01-0.26894755D+02-0.21160860D+01 0.12295368D-01
0.66831127D-02 0.66831127D-02-0.72764145D+00-0.54255287D+00-0.54255287D+00
0.23169446D+01 0.34019075D+01 0.34019075D+01 0.32938268D-01 0.14588284D-01
0.14588284D-01 0.21255812D-01 0.21255812D-01 0.19115177D-01 0.27965883D+00
0.29482064D+00 0.29482064D+00 0.22596655D+00 0.22596655D+00 0.74451719D-01
0.16933185D-02-0.31623167D+01 0.26894755D+02 0.21160860D+01 0.12295368D-01
0.66831127D-02-0.66831127D-02-0.72764145D+00-0.54255287D+00 0.54255287D+00
0.23169446D+01 0.34019075D+01-0.34019075D+01-0.32938268D-01-0.14588284D-01
-0.14588284D-01-0.21255812D-01 0.21255812D-01 0.19115177D-01-0.27965883D+00
-0.29482064D+00-0.29482064D+00-0.22596655D+00 0.22596655D+00 0.74451719D-01
0.16933185D-02-0.31623167D+01 0.26894755D+02 0.21160860D+01 0.12295368D-01
-0.66831127D-02 0.66831127D-02-0.72764145D+00 0.54255287D+00-0.54255287D+00
0.23169446D+01-0.34019075D+01 0.34019075D+01-0.32938268D-01-0.14588284D-01
-0.14588284D-01 0.21255812D-01-0.21255812D-01 0.19115177D-01-0.27965883D+00
-0.29482064D+00-0.29482064D+00 0.22596655D+00-0.22596655D+00 0.74451719D-01
-0.16933185D-02 0.31623167D+01-0.26894755D+02-0.21160860D+01 0.12295368D-01
-0.66831127D-02-0.66831127D-02-0.72764145D+00 0.54255287D+00 0.54255287D+00
0.23169446D+01-0.34019075D+01-0.34019075D+01 0.32938268D-01 0.14588284D-01
0.14588284D-01-0.21255812D-01-0.21255812D-01 0.19115177D-01 0.27965883D+00
0.29482064D+00 0.29482064D+00-0.22596655D+00-0.22596655D+00 0.74451719D-01
42 Alpha MO OE= 0.73604043D+00
0.21106878D-01-0.12847943D+00-0.46859475D+00 0.11884123D+03-0.87866828D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.47093558D-01-0.47093558D-01-0.47093558D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.54885177D+00-0.54885177D+00
-0.54885177D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24651285D+02
0.24651285D+02 0.24651285D+02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11169904D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.15671982D+00
0.17387389D+00 0.54518693D+01-0.49837752D+02 0.30255200D+00 0.21604559D-01
0.21604559D-01 0.21604559D-01 0.11985401D+00 0.11985401D+00 0.11985401D+00
0.52139625D+01 0.52139625D+01 0.52139625D+01 0.57893803D-01 0.57893803D-01
0.57893803D-01-0.14608544D-01-0.14608544D-01-0.14608544D-01 0.23039096D+01
0.23039096D+01 0.23039096D+01-0.12422895D+00-0.12422895D+00-0.12422895D+00
0.17387389D+00 0.54518693D+01-0.49837752D+02 0.30255200D+00-0.21604559D-01
-0.21604559D-01 0.21604559D-01-0.11985401D+00-0.11985401D+00 0.11985401D+00
-0.52139625D+01-0.52139625D+01 0.52139625D+01 0.57893803D-01 0.57893803D-01
0.57893803D-01-0.14608544D-01 0.14608544D-01 0.14608544D-01 0.23039096D+01
0.23039096D+01 0.23039096D+01-0.12422895D+00 0.12422895D+00 0.12422895D+00
0.17387389D+00 0.54518693D+01-0.49837752D+02 0.30255200D+00-0.21604559D-01
0.21604559D-01-0.21604559D-01-0.11985401D+00 0.11985401D+00-0.11985401D+00
-0.52139625D+01 0.52139625D+01-0.52139625D+01 0.57893803D-01 0.57893803D-01
0.57893803D-01 0.14608544D-01-0.14608544D-01 0.14608544D-01 0.23039096D+01
0.23039096D+01 0.23039096D+01 0.12422895D+00-0.12422895D+00 0.12422895D+00
0.17387389D+00 0.54518693D+01-0.49837752D+02 0.30255200D+00 0.21604559D-01
-0.21604559D-01-0.21604559D-01 0.11985401D+00-0.11985401D+00-0.11985401D+00
0.52139625D+01-0.52139625D+01-0.52139625D+01 0.57893803D-01 0.57893803D-01
0.57893803D-01 0.14608544D-01 0.14608544D-01-0.14608544D-01 0.23039096D+01
0.23039096D+01 0.23039096D+01 0.12422895D+00 0.12422895D+00-0.12422895D+00
43 Alpha MO OE= 0.89291545D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.12249639D-12 0.00000000D+00 0.00000000D+00-0.34364318D-11
0.00000000D+00 0.00000000D+00 0.21637735D-11 0.00000000D+00 0.00000000D+00
0.23819339D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.35036923D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.26626305D-11 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.37159310D-12 0.00000000D+00
0.00000000D+00 0.52702157D-13 0.00000000D+00 0.00000000D+00-0.21866662D-02
0.00000000D+00 0.00000000D+00 0.21866662D-02 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.94520695D-12 0.00000000D+00 0.00000000D+00-0.93842098D+00
0.00000000D+00 0.00000000D+00 0.93842098D+00 0.00000000D+00 0.00000000D+00
-0.30501979D-13 0.32576243D-11 0.21572250D-12-0.12749929D-12-0.31074133D-01
-0.79870994D-14 0.31074133D-01 0.40120464D+00-0.91794711D-12-0.40120464D+00
0.12817928D+01-0.48661737D-12-0.12817928D+01 0.37268117D-02 0.19072022D-13
-0.37268117D-02 0.11122944D-01 0.32180533D-13-0.11122944D-01-0.74651039D+00
0.14085205D-12 0.74651039D+00-0.41586963D+00 0.52540051D-13 0.41586963D+00
0.30501979D-13-0.32576243D-11-0.21572250D-12 0.12749929D-12-0.31074133D-01
-0.79870994D-14-0.31074133D-01 0.40120464D+00-0.91794711D-12 0.40120464D+00
0.12817928D+01-0.48661737D-12 0.12817928D+01-0.37268117D-02-0.19072022D-13
0.37268117D-02-0.11122944D-01 0.32180533D-13-0.11122944D-01 0.74651039D+00
-0.14085205D-12-0.74651039D+00 0.41586963D+00 0.52540051D-13 0.41586963D+00
-0.30501979D-13 0.32576243D-11 0.21572250D-12-0.12749929D-12 0.31074133D-01
-0.79870994D-14-0.31074133D-01-0.40120464D+00-0.91794711D-12 0.40120464D+00
-0.12817928D+01-0.48661737D-12 0.12817928D+01 0.37268117D-02 0.19072022D-13
-0.37268117D-02-0.11122944D-01 0.32180533D-13 0.11122944D-01-0.74651039D+00
0.14085205D-12 0.74651039D+00 0.41586963D+00 0.52540051D-13-0.41586963D+00
0.30501979D-13-0.32576243D-11-0.21572250D-12 0.12749929D-12 0.31074133D-01
-0.79870994D-14 0.31074133D-01-0.40120464D+00-0.91794711D-12-0.40120464D+00
-0.12817928D+01-0.48661737D-12-0.12817928D+01-0.37268117D-02-0.19072022D-13
0.37268117D-02 0.11122944D-01 0.32180533D-13 0.11122944D-01 0.74651039D+00
-0.14085205D-12-0.74651039D+00-0.41586963D+00 0.52540051D-13-0.41586963D+00
44 Alpha MO OE= 0.89291545D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.83199728D-14 0.00000000D+00 0.00000000D+00 0.47396668D-12 0.00000000D+00
0.00000000D+00-0.22477660D-11 0.00000000D+00 0.00000000D+00-0.21032280D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.49965063D-14 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.73763278D-13 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.27402932D-12
-0.16649037D-13 0.00000000D+00 0.00000000D+00-0.21866662D-02 0.00000000D+00
0.00000000D+00 0.21866662D-02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.52995918D-12 0.00000000D+00 0.00000000D+00-0.93842098D+00 0.00000000D+00
0.00000000D+00 0.93842098D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.19771643D-14-0.35496836D-13 0.19137091D-11 0.20750810D-12 0.34481145D-14
-0.31074133D-01 0.31074133D-01-0.35584031D-13 0.40120464D+00-0.40120464D+00
-0.32404594D-12 0.12817928D+01-0.12817928D+01-0.55419012D-14 0.37268117D-02
-0.37268117D-02 0.11122944D-01-0.11122944D-01 0.67373695D-15 0.43466368D-13
-0.74651039D+00 0.74651039D+00-0.41586963D+00 0.41586963D+00-0.48523716D-13
0.19771643D-14 0.35496836D-13-0.19137091D-11-0.20750810D-12 0.34481145D-14
-0.31074133D-01-0.31074133D-01-0.35584031D-13 0.40120464D+00 0.40120464D+00
-0.32404594D-12 0.12817928D+01 0.12817928D+01 0.55419012D-14-0.37268117D-02
0.37268117D-02-0.11122944D-01-0.11122944D-01 0.67373695D-15-0.43466368D-13
0.74651039D+00-0.74651039D+00 0.41586963D+00 0.41586963D+00-0.48523716D-13
0.19771643D-14 0.35496836D-13-0.19137091D-11-0.20750810D-12 0.34481145D-14
0.31074133D-01 0.31074133D-01-0.35584031D-13-0.40120464D+00-0.40120464D+00
-0.32404594D-12-0.12817928D+01-0.12817928D+01 0.55419012D-14-0.37268117D-02
0.37268117D-02 0.11122944D-01 0.11122944D-01 0.67373695D-15-0.43466368D-13
0.74651039D+00-0.74651039D+00-0.41586963D+00-0.41586963D+00-0.48523716D-13
-0.19771643D-14-0.35496836D-13 0.19137091D-11 0.20750810D-12 0.34481145D-14
0.31074133D-01-0.31074133D-01-0.35584031D-13-0.40120464D+00 0.40120464D+00
-0.32404594D-12-0.12817928D+01 0.12817928D+01-0.55419012D-14 0.37268117D-02
-0.37268117D-02-0.11122944D-01 0.11122944D-01 0.67373695D-15 0.43466368D-13
-0.74651039D+00 0.74651039D+00 0.41586963D+00-0.41586963D+00-0.48523716D-13
45 Alpha MO OE= 0.89291545D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.24608044D-13 0.00000000D+00 0.00000000D+00
0.15892111D-11 0.00000000D+00 0.00000000D+00-0.37933451D-11 0.00000000D+00
0.00000000D+00 0.12914583D-11 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.37885507D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.41927540D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.48696349D-12 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.32240285D-14 0.00000000D+00 0.00000000D+00
-0.21866662D-02 0.00000000D+00 0.00000000D+00 0.21866662D-02 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.25912487D-11 0.00000000D+00 0.00000000D+00
-0.93842098D+00 0.00000000D+00 0.00000000D+00 0.93842098D+00 0.00000000D+00
0.50611460D-13-0.11620459D-12 0.12414145D-11-0.61785283D-12-0.31074133D-01
0.31074133D-01 0.32085232D-13 0.40120464D+00-0.40120464D+00-0.38446780D-12
0.12817928D+01-0.12817928D+01-0.91884142D-12 0.37268117D-02-0.37268117D-02
0.39565761D-13 0.52539116D-14 0.11122944D-01-0.11122944D-01-0.74651039D+00
0.74651039D+00 0.77119089D-12-0.14062268D-12-0.41586963D+00 0.41586963D+00
0.50611460D-13-0.11620459D-12 0.12414145D-11-0.61785283D-12 0.31074133D-01
-0.31074133D-01 0.32085232D-13-0.40120464D+00 0.40120464D+00-0.38446780D-12
-0.12817928D+01 0.12817928D+01-0.91884142D-12 0.37268117D-02-0.37268117D-02
0.39565761D-13 0.52539116D-14-0.11122944D-01 0.11122944D-01-0.74651039D+00
0.74651039D+00 0.77119089D-12-0.14062268D-12 0.41586963D+00-0.41586963D+00
-0.50611460D-13 0.11620459D-12-0.12414145D-11 0.61785283D-12-0.31074133D-01
-0.31074133D-01 0.32085232D-13 0.40120464D+00 0.40120464D+00-0.38446780D-12
0.12817928D+01 0.12817928D+01-0.91884142D-12-0.37268117D-02 0.37268117D-02
-0.39565761D-13 0.52539116D-14-0.11122944D-01-0.11122944D-01 0.74651039D+00
-0.74651039D+00-0.77119089D-12-0.14062268D-12 0.41586963D+00 0.41586963D+00
-0.50611460D-13 0.11620459D-12-0.12414145D-11 0.61785283D-12 0.31074133D-01
0.31074133D-01 0.32085232D-13-0.40120464D+00-0.40120464D+00-0.38446780D-12
-0.12817928D+01-0.12817928D+01-0.91884142D-12-0.37268117D-02 0.37268117D-02
-0.39565761D-13 0.52539116D-14 0.11122944D-01 0.11122944D-01 0.74651039D+00
-0.74651039D+00-0.77119089D-12-0.14062268D-12-0.41586963D+00-0.41586963D+00
46 Alpha MO OE= 0.92707462D+00
0.13301418D+00-0.23390782D+00-0.22725965D+01 0.12161512D+03 0.41028802D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.27528116D+00-0.27528116D+00-0.27528116D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.26190749D+01-0.26190749D+01
-0.26190749D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12226152D+02
0.12226152D+02 0.12226152D+02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.30002152D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.67794278D+00
0.11184661D+00-0.26580015D+01-0.34187479D+02-0.26251549D+00 0.32418244D-01
0.32418244D-01 0.32418244D-01 0.93330723D+00 0.93330723D+00 0.93330723D+00
0.47420681D+01 0.47420681D+01 0.47420681D+01 0.15290974D-01 0.15290974D-01
0.15290974D-01-0.70226618D-01-0.70226618D-01-0.70226618D-01 0.21845915D+00
0.21845915D+00 0.21845915D+00-0.22436780D+00-0.22436780D+00-0.22436780D+00
0.11184661D+00-0.26580015D+01-0.34187479D+02-0.26251549D+00-0.32418244D-01
-0.32418244D-01 0.32418244D-01-0.93330723D+00-0.93330723D+00 0.93330723D+00
-0.47420681D+01-0.47420681D+01 0.47420681D+01 0.15290974D-01 0.15290974D-01
0.15290974D-01-0.70226618D-01 0.70226618D-01 0.70226618D-01 0.21845915D+00
0.21845915D+00 0.21845915D+00-0.22436780D+00 0.22436780D+00 0.22436780D+00
0.11184661D+00-0.26580015D+01-0.34187479D+02-0.26251549D+00-0.32418244D-01
0.32418244D-01-0.32418244D-01-0.93330723D+00 0.93330723D+00-0.93330723D+00
-0.47420681D+01 0.47420681D+01-0.47420681D+01 0.15290974D-01 0.15290974D-01
0.15290974D-01 0.70226618D-01-0.70226618D-01 0.70226618D-01 0.21845915D+00
0.21845915D+00 0.21845915D+00 0.22436780D+00-0.22436780D+00 0.22436780D+00
0.11184661D+00-0.26580015D+01-0.34187479D+02-0.26251549D+00 0.32418244D-01
-0.32418244D-01-0.32418244D-01 0.93330723D+00-0.93330723D+00-0.93330723D+00
0.47420681D+01-0.47420681D+01-0.47420681D+01 0.15290974D-01 0.15290974D-01
0.15290974D-01 0.70226618D-01 0.70226618D-01-0.70226618D-01 0.21845915D+00
0.21845915D+00 0.21845915D+00 0.22436780D+00 0.22436780D+00-0.22436780D+00
47 Alpha MO OE= 0.93344495D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.15832105D+00 0.00000000D+00 0.00000000D+00-0.19778461D+01
0.00000000D+00 0.00000000D+00 0.17550876D+02 0.00000000D+00 0.00000000D+00
0.58034134D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.92178802D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.43444835D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12362344D+00 0.00000000D+00
0.00000000D+00-0.55985642D-01 0.00000000D+00 0.00000000D+00-0.54640327D-01
0.00000000D+00 0.00000000D+00-0.54640327D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.30721587D+01 0.00000000D+00 0.00000000D+00-0.13494121D+01
0.00000000D+00 0.00000000D+00-0.13494121D+01 0.00000000D+00 0.00000000D+00
-0.15784217D-01 0.64624249D+00-0.12201343D+02-0.74221372D+00-0.10109283D-01
-0.24354009D-01-0.10109283D-01 0.86359446D-01 0.95951167D-01 0.86359446D-01
0.27076992D+01 0.20112332D+01 0.27076992D+01-0.48217843D-01-0.39376717D-01
-0.48217843D-01 0.43814403D-02-0.18075666D-01 0.43814403D-02-0.55607543D+00
-0.35490911D+00-0.55607543D+00-0.52216980D+00-0.35613506D-02-0.52216980D+00
0.15784217D-01-0.64624249D+00 0.12201343D+02 0.74221372D+00-0.10109283D-01
-0.24354009D-01 0.10109283D-01 0.86359446D-01 0.95951167D-01-0.86359446D-01
0.27076992D+01 0.20112332D+01-0.27076992D+01 0.48217843D-01 0.39376717D-01
0.48217843D-01-0.43814403D-02-0.18075666D-01 0.43814403D-02 0.55607543D+00
0.35490911D+00 0.55607543D+00 0.52216980D+00-0.35613506D-02-0.52216980D+00
-0.15784217D-01 0.64624249D+00-0.12201343D+02-0.74221372D+00 0.10109283D-01
-0.24354009D-01 0.10109283D-01-0.86359446D-01 0.95951167D-01-0.86359446D-01
-0.27076992D+01 0.20112332D+01-0.27076992D+01-0.48217843D-01-0.39376717D-01
-0.48217843D-01-0.43814403D-02-0.18075666D-01-0.43814403D-02-0.55607543D+00
-0.35490911D+00-0.55607543D+00 0.52216980D+00-0.35613506D-02 0.52216980D+00
0.15784217D-01-0.64624249D+00 0.12201343D+02 0.74221372D+00 0.10109283D-01
-0.24354009D-01-0.10109283D-01-0.86359446D-01 0.95951167D-01 0.86359446D-01
-0.27076992D+01 0.20112332D+01 0.27076992D+01 0.48217843D-01 0.39376717D-01
0.48217843D-01 0.43814403D-02-0.18075666D-01-0.43814403D-02 0.55607543D+00
0.35490911D+00 0.55607543D+00-0.52216980D+00-0.35613506D-02 0.52216980D+00
48 Alpha MO OE= 0.93344495D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.15832105D+00 0.00000000D+00 0.00000000D+00
-0.19778461D+01 0.00000000D+00 0.00000000D+00 0.17550876D+02 0.00000000D+00
0.00000000D+00 0.58034134D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.92178802D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.43444835D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.12362344D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.55985642D-01 0.00000000D+00 0.00000000D+00
-0.54640327D-01 0.00000000D+00 0.00000000D+00-0.54640327D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.30721587D+01 0.00000000D+00 0.00000000D+00
-0.13494121D+01 0.00000000D+00 0.00000000D+00-0.13494121D+01 0.00000000D+00
-0.15784217D-01 0.64624249D+00-0.12201343D+02-0.74221372D+00-0.10109283D-01
-0.10109283D-01-0.24354009D-01 0.86359446D-01 0.86359446D-01 0.95951167D-01
0.27076992D+01 0.27076992D+01 0.20112332D+01-0.48217843D-01-0.48217843D-01
-0.39376717D-01-0.18075666D-01 0.43814403D-02 0.43814403D-02-0.55607543D+00
-0.55607543D+00-0.35490911D+00-0.35613506D-02-0.52216980D+00-0.52216980D+00
-0.15784217D-01 0.64624249D+00-0.12201343D+02-0.74221372D+00 0.10109283D-01
0.10109283D-01-0.24354009D-01-0.86359446D-01-0.86359446D-01 0.95951167D-01
-0.27076992D+01-0.27076992D+01 0.20112332D+01-0.48217843D-01-0.48217843D-01
-0.39376717D-01-0.18075666D-01-0.43814403D-02-0.43814403D-02-0.55607543D+00
-0.55607543D+00-0.35490911D+00-0.35613506D-02 0.52216980D+00 0.52216980D+00
0.15784217D-01-0.64624249D+00 0.12201343D+02 0.74221372D+00-0.10109283D-01
0.10109283D-01-0.24354009D-01 0.86359446D-01-0.86359446D-01 0.95951167D-01
0.27076992D+01-0.27076992D+01 0.20112332D+01 0.48217843D-01 0.48217843D-01
0.39376717D-01-0.18075666D-01-0.43814403D-02 0.43814403D-02 0.55607543D+00
0.55607543D+00 0.35490911D+00-0.35613506D-02 0.52216980D+00-0.52216980D+00
0.15784217D-01-0.64624249D+00 0.12201343D+02 0.74221372D+00 0.10109283D-01
-0.10109283D-01-0.24354009D-01-0.86359446D-01 0.86359446D-01 0.95951167D-01
-0.27076992D+01 0.27076992D+01 0.20112332D+01 0.48217843D-01 0.48217843D-01
0.39376717D-01-0.18075666D-01 0.43814403D-02-0.43814403D-02 0.55607543D+00
0.55607543D+00 0.35490911D+00-0.35613506D-02-0.52216980D+00 0.52216980D+00
49 Alpha MO OE= 0.93344495D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.15832105D+00 0.00000000D+00 0.00000000D+00-0.19778461D+01 0.00000000D+00
0.00000000D+00 0.17550876D+02 0.00000000D+00 0.00000000D+00 0.58034134D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.92178802D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.43444835D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12362344D+00
-0.55985642D-01 0.00000000D+00 0.00000000D+00-0.54640327D-01 0.00000000D+00
0.00000000D+00-0.54640327D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.30721587D+01 0.00000000D+00 0.00000000D+00-0.13494121D+01 0.00000000D+00
0.00000000D+00-0.13494121D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.15784217D-01 0.64624249D+00-0.12201343D+02-0.74221372D+00-0.24354009D-01
-0.10109283D-01-0.10109283D-01 0.95951167D-01 0.86359446D-01 0.86359446D-01
0.20112332D+01 0.27076992D+01 0.27076992D+01-0.39376717D-01-0.48217843D-01
-0.48217843D-01 0.43814403D-02 0.43814403D-02-0.18075666D-01-0.35490911D+00
-0.55607543D+00-0.55607543D+00-0.52216980D+00-0.52216980D+00-0.35613506D-02
0.15784217D-01-0.64624249D+00 0.12201343D+02 0.74221372D+00-0.24354009D-01
-0.10109283D-01 0.10109283D-01 0.95951167D-01 0.86359446D-01-0.86359446D-01
0.20112332D+01 0.27076992D+01-0.27076992D+01 0.39376717D-01 0.48217843D-01
0.48217843D-01-0.43814403D-02 0.43814403D-02-0.18075666D-01 0.35490911D+00
0.55607543D+00 0.55607543D+00 0.52216980D+00-0.52216980D+00-0.35613506D-02
0.15784217D-01-0.64624249D+00 0.12201343D+02 0.74221372D+00-0.24354009D-01
0.10109283D-01-0.10109283D-01 0.95951167D-01-0.86359446D-01 0.86359446D-01
0.20112332D+01-0.27076992D+01 0.27076992D+01 0.39376717D-01 0.48217843D-01
0.48217843D-01 0.43814403D-02-0.43814403D-02-0.18075666D-01 0.35490911D+00
0.55607543D+00 0.55607543D+00-0.52216980D+00 0.52216980D+00-0.35613506D-02
-0.15784217D-01 0.64624249D+00-0.12201343D+02-0.74221372D+00-0.24354009D-01
0.10109283D-01 0.10109283D-01 0.95951167D-01-0.86359446D-01-0.86359446D-01
0.20112332D+01-0.27076992D+01-0.27076992D+01-0.39376717D-01-0.48217843D-01
-0.48217843D-01-0.43814403D-02-0.43814403D-02-0.18075666D-01-0.35490911D+00
-0.55607543D+00-0.55607543D+00 0.52216980D+00 0.52216980D+00-0.35613506D-02
50 Alpha MO OE= 0.96988616D+00
-0.25550286D-12 0.55115086D-12 0.43276850D-11-0.32193823D-09 0.12078502D-10
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.17997956D-01-0.48219381D-01 0.66217337D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.49375146D+00 0.13228385D+01
-0.18165900D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.10194465D+01
-0.27312589D+01 0.37507054D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.64389714D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.14842632D-11
-0.27224345D-12 0.49853391D-11 0.94893763D-10-0.10882476D-12-0.20045022D-02
-0.53703797D-02 0.73748820D-02-0.21407540D-01-0.57354198D-01 0.78761738D-01
0.29960707D+00 0.80269490D+00-0.11023020D+01 0.20090849D-02 0.53826573D-02
-0.73917422D-02 0.12769524D-01-0.92987513D-02-0.34707728D-02 0.17152410D+00
0.45954030D+00-0.63106440D+00 0.36875494D+00-0.26852688D+00-0.10022806D+00
-0.27224345D-12 0.49853391D-11 0.94893763D-10-0.10882476D-12 0.20045022D-02
0.53703797D-02 0.73748820D-02 0.21407540D-01 0.57354198D-01 0.78761738D-01
-0.29960707D+00-0.80269490D+00-0.11023020D+01 0.20090849D-02 0.53826573D-02
-0.73917422D-02 0.12769524D-01 0.92987513D-02 0.34707728D-02 0.17152410D+00
0.45954030D+00-0.63106440D+00 0.36875494D+00 0.26852688D+00 0.10022806D+00
-0.27224345D-12 0.49853391D-11 0.94893763D-10-0.10882476D-12 0.20045022D-02
-0.53703797D-02-0.73748820D-02 0.21407540D-01-0.57354198D-01-0.78761738D-01
-0.29960707D+00 0.80269490D+00 0.11023020D+01 0.20090849D-02 0.53826573D-02
-0.73917422D-02-0.12769524D-01-0.92987513D-02 0.34707728D-02 0.17152410D+00
0.45954030D+00-0.63106440D+00-0.36875494D+00-0.26852688D+00 0.10022806D+00
-0.27224345D-12 0.49853391D-11 0.94893763D-10-0.10882476D-12-0.20045022D-02
0.53703797D-02-0.73748820D-02-0.21407540D-01 0.57354198D-01-0.78761738D-01
0.29960707D+00-0.80269490D+00 0.11023020D+01 0.20090849D-02 0.53826573D-02
-0.73917422D-02-0.12769524D-01 0.92987513D-02-0.34707728D-02 0.17152410D+00
0.45954030D+00-0.63106440D+00-0.36875494D+00 0.26852688D+00-0.10022806D+00
51 Alpha MO OE= 0.96988616D+00
0.37879963D-12-0.65040976D-12-0.52147363D-11 0.30662972D-09-0.22204156D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.66070070D-01-0.48621722D-01-0.17448348D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.18125499D+01 0.13338763D+01
0.47867365D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.37423639D+01
-0.27540485D+01-0.98831538D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.67376811D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.13860271D-12
0.23380575D-12-0.14805301D-11-0.91144190D-10-0.57732983D-12 0.73584803D-02
-0.54151900D-02-0.19432903D-02 0.78586572D-01-0.57832760D-01-0.20753813D-01
-0.10998505D+01 0.80939256D+00 0.29045789D+00-0.73753030D-02 0.54275700D-02
0.19477329D-02-0.33647849D-02-0.93763398D-02 0.12741125D-01-0.62966092D+00
0.46337469D+00 0.16628623D+00-0.97167370D-01-0.27076746D+00 0.36793483D+00
0.23380575D-12-0.14805301D-11-0.91144190D-10-0.57732983D-12-0.73584803D-02
0.54151900D-02-0.19432903D-02-0.78586572D-01 0.57832760D-01-0.20753813D-01
0.10998505D+01-0.80939256D+00 0.29045789D+00-0.73753030D-02 0.54275700D-02
0.19477329D-02-0.33647849D-02 0.93763398D-02-0.12741125D-01-0.62966092D+00
0.46337469D+00 0.16628623D+00-0.97167370D-01 0.27076746D+00-0.36793483D+00
0.23380575D-12-0.14805301D-11-0.91144190D-10-0.57732983D-12-0.73584803D-02
-0.54151900D-02 0.19432903D-02-0.78586572D-01-0.57832760D-01 0.20753813D-01
0.10998505D+01 0.80939256D+00-0.29045789D+00-0.73753030D-02 0.54275700D-02
0.19477329D-02 0.33647849D-02-0.93763398D-02-0.12741125D-01-0.62966092D+00
0.46337469D+00 0.16628623D+00 0.97167370D-01-0.27076746D+00-0.36793483D+00
0.23380575D-12-0.14805301D-11-0.91144190D-10-0.57732983D-12 0.73584803D-02
0.54151900D-02 0.19432903D-02 0.78586572D-01 0.57832760D-01 0.20753813D-01
-0.10998505D+01-0.80939256D+00-0.29045789D+00-0.73753030D-02 0.54275700D-02
0.19477329D-02 0.33647849D-02 0.93763398D-02 0.12741125D-01-0.62966092D+00
0.46337469D+00 0.16628623D+00 0.97167370D-01 0.27076746D+00 0.36793483D+00
52 Alpha MO OE= 0.10417943D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.11405340D+00 0.00000000D+00 0.00000000D+00 0.34730629D+00 0.00000000D+00
0.00000000D+00-0.13185155D+02 0.00000000D+00 0.00000000D+00-0.16496704D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.18557314D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.23321181D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.58548745D+01
0.56442746D-01 0.00000000D+00 0.00000000D+00-0.93664666D-01 0.00000000D+00
0.00000000D+00-0.93664666D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.17161411D+01 0.00000000D+00 0.00000000D+00 0.62776426D+00 0.00000000D+00
0.00000000D+00 0.62776426D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.26529208D-01 0.21238768D+01 0.13589528D+02 0.38566024D+00 0.48074033D-02
-0.12739379D-01-0.12739379D-01-0.76526101D+00-0.42753866D+00-0.42753866D+00
-0.34589718D+01-0.97874155D+00-0.97874155D+00 0.42126394D-01 0.55388579D-01
0.55388579D-01 0.28883582D-01 0.28883582D-01 0.13113383D-01 0.14691773D+01
0.24966756D-01 0.24966756D-01 0.17261653D+00 0.17261653D+00 0.26842942D+00
-0.26529208D-01-0.21238768D+01-0.13589528D+02-0.38566024D+00 0.48074033D-02
-0.12739379D-01 0.12739379D-01-0.76526101D+00-0.42753866D+00 0.42753866D+00
-0.34589718D+01-0.97874155D+00 0.97874155D+00-0.42126394D-01-0.55388579D-01
-0.55388579D-01-0.28883582D-01 0.28883582D-01 0.13113383D-01-0.14691773D+01
-0.24966756D-01-0.24966756D-01-0.17261653D+00 0.17261653D+00 0.26842942D+00
-0.26529208D-01-0.21238768D+01-0.13589528D+02-0.38566024D+00 0.48074033D-02
0.12739379D-01-0.12739379D-01-0.76526101D+00 0.42753866D+00-0.42753866D+00
-0.34589718D+01 0.97874155D+00-0.97874155D+00-0.42126394D-01-0.55388579D-01
-0.55388579D-01 0.28883582D-01-0.28883582D-01 0.13113383D-01-0.14691773D+01
-0.24966756D-01-0.24966756D-01 0.17261653D+00-0.17261653D+00 0.26842942D+00
0.26529208D-01 0.21238768D+01 0.13589528D+02 0.38566024D+00 0.48074033D-02
0.12739379D-01 0.12739379D-01-0.76526101D+00 0.42753866D+00 0.42753866D+00
-0.34589718D+01 0.97874155D+00 0.97874155D+00 0.42126394D-01 0.55388579D-01
0.55388579D-01-0.28883582D-01-0.28883582D-01 0.13113383D-01 0.14691773D+01
0.24966756D-01 0.24966756D-01-0.17261653D+00-0.17261653D+00 0.26842942D+00
53 Alpha MO OE= 0.10417943D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.11405340D+00 0.00000000D+00 0.00000000D+00 0.34730629D+00
0.00000000D+00 0.00000000D+00-0.13185155D+02 0.00000000D+00 0.00000000D+00
-0.16496704D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.18557314D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.23321181D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.58548745D+01 0.00000000D+00
0.00000000D+00 0.56442746D-01 0.00000000D+00 0.00000000D+00-0.93664666D-01
0.00000000D+00 0.00000000D+00-0.93664666D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.17161411D+01 0.00000000D+00 0.00000000D+00 0.62776426D+00
0.00000000D+00 0.00000000D+00 0.62776426D+00 0.00000000D+00 0.00000000D+00
0.26529208D-01 0.21238768D+01 0.13589528D+02 0.38566024D+00-0.12739379D-01
0.48074033D-02-0.12739379D-01-0.42753866D+00-0.76526101D+00-0.42753866D+00
-0.97874155D+00-0.34589718D+01-0.97874155D+00 0.55388579D-01 0.42126394D-01
0.55388579D-01 0.28883582D-01 0.13113383D-01 0.28883582D-01 0.24966756D-01
0.14691773D+01 0.24966756D-01 0.17261653D+00 0.26842942D+00 0.17261653D+00
-0.26529208D-01-0.21238768D+01-0.13589528D+02-0.38566024D+00-0.12739379D-01
0.48074033D-02 0.12739379D-01-0.42753866D+00-0.76526101D+00 0.42753866D+00
-0.97874155D+00-0.34589718D+01 0.97874155D+00-0.55388579D-01-0.42126394D-01
-0.55388579D-01-0.28883582D-01 0.13113383D-01 0.28883582D-01-0.24966756D-01
-0.14691773D+01-0.24966756D-01-0.17261653D+00 0.26842942D+00 0.17261653D+00
0.26529208D-01 0.21238768D+01 0.13589528D+02 0.38566024D+00 0.12739379D-01
0.48074033D-02 0.12739379D-01 0.42753866D+00-0.76526101D+00 0.42753866D+00
0.97874155D+00-0.34589718D+01 0.97874155D+00 0.55388579D-01 0.42126394D-01
0.55388579D-01-0.28883582D-01 0.13113383D-01-0.28883582D-01 0.24966756D-01
0.14691773D+01 0.24966756D-01-0.17261653D+00 0.26842942D+00-0.17261653D+00
-0.26529208D-01-0.21238768D+01-0.13589528D+02-0.38566024D+00 0.12739379D-01
0.48074033D-02-0.12739379D-01 0.42753866D+00-0.76526101D+00-0.42753866D+00
0.97874155D+00-0.34589718D+01-0.97874155D+00-0.55388579D-01-0.42126394D-01
-0.55388579D-01 0.28883582D-01 0.13113383D-01-0.28883582D-01-0.24966756D-01
-0.14691773D+01-0.24966756D-01 0.17261653D+00 0.26842942D+00-0.17261653D+00
54 Alpha MO OE= 0.10417943D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.11405340D+00 0.00000000D+00 0.00000000D+00
0.34730629D+00 0.00000000D+00 0.00000000D+00-0.13185155D+02 0.00000000D+00
0.00000000D+00-0.16496704D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.18557314D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.23321181D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.58548745D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.56442746D-01 0.00000000D+00 0.00000000D+00
-0.93664666D-01 0.00000000D+00 0.00000000D+00-0.93664666D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.17161411D+01 0.00000000D+00 0.00000000D+00
0.62776426D+00 0.00000000D+00 0.00000000D+00 0.62776426D+00 0.00000000D+00
0.26529208D-01 0.21238768D+01 0.13589528D+02 0.38566024D+00-0.12739379D-01
-0.12739379D-01 0.48074033D-02-0.42753866D+00-0.42753866D+00-0.76526101D+00
-0.97874155D+00-0.97874155D+00-0.34589718D+01 0.55388579D-01 0.55388579D-01
0.42126394D-01 0.13113383D-01 0.28883582D-01 0.28883582D-01 0.24966756D-01
0.24966756D-01 0.14691773D+01 0.26842942D+00 0.17261653D+00 0.17261653D+00
0.26529208D-01 0.21238768D+01 0.13589528D+02 0.38566024D+00 0.12739379D-01
0.12739379D-01 0.48074033D-02 0.42753866D+00 0.42753866D+00-0.76526101D+00
0.97874155D+00 0.97874155D+00-0.34589718D+01 0.55388579D-01 0.55388579D-01
0.42126394D-01 0.13113383D-01-0.28883582D-01-0.28883582D-01 0.24966756D-01
0.24966756D-01 0.14691773D+01 0.26842942D+00-0.17261653D+00-0.17261653D+00
-0.26529208D-01-0.21238768D+01-0.13589528D+02-0.38566024D+00-0.12739379D-01
0.12739379D-01 0.48074033D-02-0.42753866D+00 0.42753866D+00-0.76526101D+00
-0.97874155D+00 0.97874155D+00-0.34589718D+01-0.55388579D-01-0.55388579D-01
-0.42126394D-01 0.13113383D-01-0.28883582D-01 0.28883582D-01-0.24966756D-01
-0.24966756D-01-0.14691773D+01 0.26842942D+00-0.17261653D+00 0.17261653D+00
-0.26529208D-01-0.21238768D+01-0.13589528D+02-0.38566024D+00 0.12739379D-01
-0.12739379D-01 0.48074033D-02 0.42753866D+00-0.42753866D+00-0.76526101D+00
0.97874155D+00-0.97874155D+00-0.34589718D+01-0.55388579D-01-0.55388579D-01
-0.42126394D-01 0.13113383D-01 0.28883582D-01-0.28883582D-01-0.24966756D-01
-0.24966756D-01-0.14691773D+01 0.26842942D+00 0.17261653D+00-0.17261653D+00
55 Alpha MO OE= 0.10862135D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.43393407D-12 0.00000000D+00 0.00000000D+00 0.86165135D-11 0.00000000D+00
0.00000000D+00-0.16825650D-10 0.00000000D+00 0.00000000D+00 0.21134693D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.21892670D-12 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.17258168D-12 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.40239191D-12
0.70762280D-13 0.00000000D+00 0.00000000D+00 0.10558748D-01 0.00000000D+00
0.00000000D+00-0.10558748D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.10410946D-10 0.00000000D+00 0.00000000D+00 0.48476768D+00 0.00000000D+00
0.00000000D+00-0.48476768D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.14794179D-12-0.48851282D-11 0.22596440D-10-0.18001103D-11 0.42082647D-13
0.85124174D-02-0.85124174D-02-0.39808861D-12-0.24245007D+00 0.24245007D+00
-0.51221220D-11 0.15987752D+00-0.15987752D+00-0.44610275D-13-0.15553383D-01
0.15553383D-01 0.24866551D-01-0.24866551D-01-0.37744096D-13-0.15736254D-11
0.58718470D+00-0.58718470D+00-0.46076074D+00 0.46076074D+00-0.23585755D-11
-0.14794179D-12 0.48851282D-11-0.22596440D-10 0.18001103D-11 0.42082647D-13
0.85124174D-02 0.85124174D-02-0.39808861D-12-0.24245007D+00-0.24245007D+00
-0.51221220D-11 0.15987752D+00 0.15987752D+00 0.44610275D-13 0.15553383D-01
-0.15553383D-01-0.24866551D-01-0.24866551D-01-0.37744096D-13 0.15736254D-11
-0.58718470D+00 0.58718470D+00 0.46076074D+00 0.46076074D+00-0.23585755D-11
-0.14794179D-12 0.48851282D-11-0.22596440D-10 0.18001103D-11 0.42082647D-13
-0.85124174D-02-0.85124174D-02-0.39808861D-12 0.24245007D+00 0.24245007D+00
-0.51221220D-11-0.15987752D+00-0.15987752D+00 0.44610275D-13 0.15553383D-01
-0.15553383D-01 0.24866551D-01 0.24866551D-01-0.37744096D-13 0.15736254D-11
-0.58718470D+00 0.58718470D+00-0.46076074D+00-0.46076074D+00-0.23585755D-11
0.14794179D-12-0.48851282D-11 0.22596440D-10-0.18001103D-11 0.42082647D-13
-0.85124174D-02 0.85124174D-02-0.39808861D-12 0.24245007D+00-0.24245007D+00
-0.51221220D-11-0.15987752D+00 0.15987752D+00-0.44610275D-13-0.15553383D-01
0.15553383D-01-0.24866551D-01 0.24866551D-01-0.37744096D-13-0.15736254D-11
0.58718470D+00-0.58718470D+00 0.46076074D+00-0.46076074D+00-0.23585755D-11
56 Alpha MO OE= 0.10862135D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.35931086D-13 0.00000000D+00 0.00000000D+00-0.14655077D-11
0.00000000D+00 0.00000000D+00 0.50232409D-11 0.00000000D+00 0.00000000D+00
-0.40011893D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.37790456D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.47944278D-12 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.78348880D-12 0.00000000D+00
0.00000000D+00-0.49953588D-13 0.00000000D+00 0.00000000D+00 0.10558748D-01
0.00000000D+00 0.00000000D+00-0.10558748D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.21641075D-11 0.00000000D+00 0.00000000D+00 0.48476768D+00
0.00000000D+00 0.00000000D+00-0.48476768D+00 0.00000000D+00 0.00000000D+00
-0.35602877D-13 0.50552941D-12-0.67433274D-11 0.28145846D-12 0.85124174D-02
-0.88661051D-14-0.85124174D-02-0.24245007D+00 0.23400333D-12 0.24245007D+00
0.15987752D+00 0.16565980D-11-0.15987752D+00-0.15553383D-01-0.23279735D-14
0.15553383D-01 0.24866551D-01 0.44182299D-14-0.24866551D-01 0.58718470D+00
0.10706921D-12-0.58718470D+00-0.46076074D+00 0.42033386D-12 0.46076074D+00
0.35602877D-13-0.50552941D-12 0.67433274D-11-0.28145846D-12 0.85124174D-02
-0.88661051D-14 0.85124174D-02-0.24245007D+00 0.23400333D-12-0.24245007D+00
0.15987752D+00 0.16565980D-11 0.15987752D+00 0.15553383D-01 0.23279735D-14
-0.15553383D-01-0.24866551D-01 0.44182299D-14-0.24866551D-01-0.58718470D+00
-0.10706921D-12 0.58718470D+00 0.46076074D+00 0.42033386D-12 0.46076074D+00
-0.35602877D-13 0.50552941D-12-0.67433274D-11 0.28145846D-12-0.85124174D-02
-0.88661051D-14 0.85124174D-02 0.24245007D+00 0.23400333D-12-0.24245007D+00
-0.15987752D+00 0.16565980D-11 0.15987752D+00-0.15553383D-01-0.23279735D-14
0.15553383D-01-0.24866551D-01 0.44182299D-14 0.24866551D-01 0.58718470D+00
0.10706921D-12-0.58718470D+00 0.46076074D+00 0.42033386D-12-0.46076074D+00
0.35602877D-13-0.50552941D-12 0.67433274D-11-0.28145846D-12-0.85124174D-02
-0.88661051D-14-0.85124174D-02 0.24245007D+00 0.23400333D-12 0.24245007D+00
-0.15987752D+00 0.16565980D-11-0.15987752D+00 0.15553383D-01 0.23279735D-14
-0.15553383D-01 0.24866551D-01 0.44182299D-14 0.24866551D-01-0.58718470D+00
-0.10706921D-12 0.58718470D+00-0.46076074D+00 0.42033386D-12-0.46076074D+00
57 Alpha MO OE= 0.10862135D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.15004787D-12 0.00000000D+00 0.00000000D+00
-0.21791066D-11 0.00000000D+00 0.00000000D+00 0.40042810D-11 0.00000000D+00
0.00000000D+00-0.89573725D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.88485065D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.10791457D-11 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.53283576D-12 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.29406027D-13 0.00000000D+00 0.00000000D+00
0.10558748D-01 0.00000000D+00 0.00000000D+00-0.10558748D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.36199125D-11 0.00000000D+00 0.00000000D+00
0.48476768D+00 0.00000000D+00 0.00000000D+00-0.48476768D+00 0.00000000D+00
-0.35491971D-13 0.84643506D-12-0.89150669D-11 0.70315158D-12 0.85124174D-02
-0.85124174D-02-0.16624407D-13-0.24245007D+00 0.24245007D+00 0.54625500D-12
0.15987752D+00-0.15987752D+00 0.23216368D-11-0.15553383D-01 0.15553383D-01
0.24429090D-13 0.68646952D-14 0.24866551D-01-0.24866551D-01 0.58718470D+00
-0.58718470D+00 0.80896807D-12 0.98200542D-12-0.46076074D+00 0.46076074D+00
-0.35491971D-13 0.84643506D-12-0.89150669D-11 0.70315158D-12-0.85124174D-02
0.85124174D-02-0.16624407D-13 0.24245007D+00-0.24245007D+00 0.54625500D-12
-0.15987752D+00 0.15987752D+00 0.23216368D-11-0.15553383D-01 0.15553383D-01
0.24429090D-13 0.68646952D-14-0.24866551D-01 0.24866551D-01 0.58718470D+00
-0.58718470D+00 0.80896807D-12 0.98200542D-12 0.46076074D+00-0.46076074D+00
0.35491971D-13-0.84643506D-12 0.89150669D-11-0.70315158D-12 0.85124174D-02
0.85124174D-02-0.16624407D-13-0.24245007D+00-0.24245007D+00 0.54625500D-12
0.15987752D+00 0.15987752D+00 0.23216368D-11 0.15553383D-01-0.15553383D-01
-0.24429090D-13 0.68646952D-14-0.24866551D-01-0.24866551D-01-0.58718470D+00
0.58718470D+00-0.80896807D-12 0.98200542D-12 0.46076074D+00 0.46076074D+00
0.35491971D-13-0.84643506D-12 0.89150669D-11-0.70315158D-12-0.85124174D-02
-0.85124174D-02-0.16624407D-13 0.24245007D+00 0.24245007D+00 0.54625500D-12
-0.15987752D+00-0.15987752D+00 0.23216368D-11 0.15553383D-01-0.15553383D-01
-0.24429090D-13 0.68646952D-14 0.24866551D-01 0.24866551D-01-0.58718470D+00
0.58718470D+00-0.80896807D-12 0.98200542D-12-0.46076074D+00-0.46076074D+00
58 Alpha MO OE= 0.11039333D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.90726700D-01 0.00000000D+00 0.00000000D+00 0.30856383D+01
0.00000000D+00 0.00000000D+00-0.13213144D+02 0.00000000D+00 0.00000000D+00
0.54593986D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.84640237D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.16564784D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.20588412D+01 0.00000000D+00
0.00000000D+00 0.13928426D-01 0.00000000D+00 0.00000000D+00 0.12676038D-01
0.00000000D+00 0.00000000D+00 0.12676038D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.49044584D+01 0.00000000D+00 0.00000000D+00 0.47805560D+00
0.00000000D+00 0.00000000D+00 0.47805560D+00 0.00000000D+00 0.00000000D+00
0.58223187D-01-0.53012849D+00 0.17677425D+02-0.33607244D+00-0.31646792D-01
0.18590221D-01-0.31646792D-01 0.32078723D+00-0.72414762D+00 0.32078723D+00
-0.19334136D+01-0.41878898D+01-0.19334136D+01-0.22086211D-01-0.29430130D-02
-0.22086211D-01-0.47487863D-02-0.39608323D-02-0.47487863D-02-0.11962033D+01
-0.29635365D+00-0.11962033D+01 0.55986995D+00-0.98008924D+00 0.55986995D+00
-0.58223187D-01 0.53012849D+00-0.17677425D+02 0.33607244D+00-0.31646792D-01
0.18590221D-01 0.31646792D-01 0.32078723D+00-0.72414762D+00-0.32078723D+00
-0.19334136D+01-0.41878898D+01 0.19334136D+01 0.22086211D-01 0.29430130D-02
0.22086211D-01 0.47487863D-02-0.39608323D-02-0.47487863D-02 0.11962033D+01
0.29635365D+00 0.11962033D+01-0.55986995D+00-0.98008924D+00 0.55986995D+00
0.58223187D-01-0.53012849D+00 0.17677425D+02-0.33607244D+00 0.31646792D-01
0.18590221D-01 0.31646792D-01-0.32078723D+00-0.72414762D+00-0.32078723D+00
0.19334136D+01-0.41878898D+01 0.19334136D+01-0.22086211D-01-0.29430130D-02
-0.22086211D-01 0.47487863D-02-0.39608323D-02 0.47487863D-02-0.11962033D+01
-0.29635365D+00-0.11962033D+01-0.55986995D+00-0.98008924D+00-0.55986995D+00
-0.58223187D-01 0.53012849D+00-0.17677425D+02 0.33607244D+00 0.31646792D-01
0.18590221D-01-0.31646792D-01-0.32078723D+00-0.72414762D+00 0.32078723D+00
0.19334136D+01-0.41878898D+01-0.19334136D+01 0.22086211D-01 0.29430130D-02
0.22086211D-01-0.47487863D-02-0.39608323D-02 0.47487863D-02 0.11962033D+01
0.29635365D+00 0.11962033D+01 0.55986995D+00-0.98008924D+00-0.55986995D+00
59 Alpha MO OE= 0.11039333D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.90726700D-01 0.00000000D+00 0.00000000D+00
0.30856383D+01 0.00000000D+00 0.00000000D+00-0.13213144D+02 0.00000000D+00
0.00000000D+00 0.54593986D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.84640237D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.16564784D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.20588412D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.13928426D-01 0.00000000D+00 0.00000000D+00
0.12676038D-01 0.00000000D+00 0.00000000D+00 0.12676038D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.49044584D+01 0.00000000D+00 0.00000000D+00
0.47805560D+00 0.00000000D+00 0.00000000D+00 0.47805560D+00 0.00000000D+00
0.58223187D-01-0.53012849D+00 0.17677425D+02-0.33607244D+00-0.31646792D-01
-0.31646792D-01 0.18590221D-01 0.32078723D+00 0.32078723D+00-0.72414762D+00
-0.19334136D+01-0.19334136D+01-0.41878898D+01-0.22086211D-01-0.22086211D-01
-0.29430130D-02-0.39608323D-02-0.47487863D-02-0.47487863D-02-0.11962033D+01
-0.11962033D+01-0.29635365D+00-0.98008924D+00 0.55986995D+00 0.55986995D+00
0.58223187D-01-0.53012849D+00 0.17677425D+02-0.33607244D+00 0.31646792D-01
0.31646792D-01 0.18590221D-01-0.32078723D+00-0.32078723D+00-0.72414762D+00
0.19334136D+01 0.19334136D+01-0.41878898D+01-0.22086211D-01-0.22086211D-01
-0.29430130D-02-0.39608323D-02 0.47487863D-02 0.47487863D-02-0.11962033D+01
-0.11962033D+01-0.29635365D+00-0.98008924D+00-0.55986995D+00-0.55986995D+00
-0.58223187D-01 0.53012849D+00-0.17677425D+02 0.33607244D+00-0.31646792D-01
0.31646792D-01 0.18590221D-01 0.32078723D+00-0.32078723D+00-0.72414762D+00
-0.19334136D+01 0.19334136D+01-0.41878898D+01 0.22086211D-01 0.22086211D-01
0.29430130D-02-0.39608323D-02 0.47487863D-02-0.47487863D-02 0.11962033D+01
0.11962033D+01 0.29635365D+00-0.98008924D+00-0.55986995D+00 0.55986995D+00
-0.58223187D-01 0.53012849D+00-0.17677425D+02 0.33607244D+00 0.31646792D-01
-0.31646792D-01 0.18590221D-01-0.32078723D+00 0.32078723D+00-0.72414762D+00
0.19334136D+01-0.19334136D+01-0.41878898D+01 0.22086211D-01 0.22086211D-01
0.29430130D-02-0.39608323D-02-0.47487863D-02 0.47487863D-02 0.11962033D+01
0.11962033D+01 0.29635365D+00-0.98008924D+00 0.55986995D+00-0.55986995D+00
60 Alpha MO OE= 0.11039333D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.90726700D-01 0.00000000D+00 0.00000000D+00 0.30856383D+01 0.00000000D+00
0.00000000D+00-0.13213144D+02 0.00000000D+00 0.00000000D+00 0.54593986D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.84640237D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.16564784D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.20588412D+01
0.13928426D-01 0.00000000D+00 0.00000000D+00 0.12676038D-01 0.00000000D+00
0.00000000D+00 0.12676038D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.49044584D+01 0.00000000D+00 0.00000000D+00 0.47805560D+00 0.00000000D+00
0.00000000D+00 0.47805560D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.58223187D-01-0.53012849D+00 0.17677425D+02-0.33607244D+00 0.18590221D-01
-0.31646792D-01-0.31646792D-01-0.72414762D+00 0.32078723D+00 0.32078723D+00
-0.41878898D+01-0.19334136D+01-0.19334136D+01-0.29430130D-02-0.22086211D-01
-0.22086211D-01-0.47487863D-02-0.47487863D-02-0.39608323D-02-0.29635365D+00
-0.11962033D+01-0.11962033D+01 0.55986995D+00 0.55986995D+00-0.98008924D+00
-0.58223187D-01 0.53012849D+00-0.17677425D+02 0.33607244D+00 0.18590221D-01
-0.31646792D-01 0.31646792D-01-0.72414762D+00 0.32078723D+00-0.32078723D+00
-0.41878898D+01-0.19334136D+01 0.19334136D+01 0.29430130D-02 0.22086211D-01
0.22086211D-01 0.47487863D-02-0.47487863D-02-0.39608323D-02 0.29635365D+00
0.11962033D+01 0.11962033D+01-0.55986995D+00 0.55986995D+00-0.98008924D+00
-0.58223187D-01 0.53012849D+00-0.17677425D+02 0.33607244D+00 0.18590221D-01
0.31646792D-01-0.31646792D-01-0.72414762D+00-0.32078723D+00 0.32078723D+00
-0.41878898D+01 0.19334136D+01-0.19334136D+01 0.29430130D-02 0.22086211D-01
0.22086211D-01-0.47487863D-02 0.47487863D-02-0.39608323D-02 0.29635365D+00
0.11962033D+01 0.11962033D+01 0.55986995D+00-0.55986995D+00-0.98008924D+00
0.58223187D-01-0.53012849D+00 0.17677425D+02-0.33607244D+00 0.18590221D-01
0.31646792D-01 0.31646792D-01-0.72414762D+00-0.32078723D+00-0.32078723D+00
-0.41878898D+01 0.19334136D+01 0.19334136D+01-0.29430130D-02-0.22086211D-01
-0.22086211D-01 0.47487863D-02 0.47487863D-02-0.39608323D-02-0.29635365D+00
-0.11962033D+01-0.11962033D+01-0.55986995D+00-0.55986995D+00-0.98008924D+00
61 Alpha MO OE= 0.11188861D+01
-0.27687675D-12 0.10936080D-11 0.44875633D-11-0.46477818D-09 0.35339743D-10
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.39473111D-01 0.50877936D-01-0.90351048D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.55207358D+00-0.71158223D+00
0.12636558D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.32560164D+01
-0.41967655D+01 0.74527819D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.94623719D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.13022344D-11
-0.21897302D-12 0.75341863D-11 0.13357816D-09-0.11916601D-11-0.11498487D-01
-0.14820703D-01 0.26319190D-01 0.27744877D+00 0.35761105D+00-0.63505982D+00
0.14185410D+01 0.18283950D+01-0.32469361D+01-0.10942678D-01-0.14104307D-01
0.25046985D-01-0.36193539D-02 0.20381087D-02 0.15812452D-02-0.12406849D+00
-0.15991515D+00 0.28398364D+00-0.70802924D+00 0.39870115D+00 0.30932809D+00
-0.21897302D-12 0.75341863D-11 0.13357816D-09-0.11916601D-11 0.11498487D-01
0.14820703D-01 0.26319190D-01-0.27744877D+00-0.35761105D+00-0.63505982D+00
-0.14185410D+01-0.18283950D+01-0.32469361D+01-0.10942678D-01-0.14104307D-01
0.25046985D-01-0.36193539D-02-0.20381087D-02-0.15812452D-02-0.12406849D+00
-0.15991515D+00 0.28398364D+00-0.70802924D+00-0.39870115D+00-0.30932809D+00
-0.21897302D-12 0.75341863D-11 0.13357816D-09-0.11916601D-11 0.11498487D-01
-0.14820703D-01-0.26319190D-01-0.27744877D+00 0.35761105D+00 0.63505982D+00
-0.14185410D+01 0.18283950D+01 0.32469361D+01-0.10942678D-01-0.14104307D-01
0.25046985D-01 0.36193539D-02 0.20381087D-02-0.15812452D-02-0.12406849D+00
-0.15991515D+00 0.28398364D+00 0.70802924D+00 0.39870115D+00-0.30932809D+00
-0.21897302D-12 0.75341863D-11 0.13357816D-09-0.11916601D-11-0.11498487D-01
0.14820703D-01-0.26319190D-01 0.27744877D+00-0.35761105D+00 0.63505982D+00
0.14185410D+01-0.18283950D+01 0.32469361D+01-0.10942678D-01-0.14104307D-01
0.25046985D-01 0.36193539D-02-0.20381087D-02 0.15812452D-02-0.12406849D+00
-0.15991515D+00 0.28398364D+00 0.70802924D+00-0.39870115D+00 0.30932809D+00
62 Alpha MO OE= 0.11188861D+01
0.10575401D-12-0.42149232D-12 0.12611009D-11-0.14986167D-09 0.88744005D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.81538592D-01 0.74954013D-01 0.65845788D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11404042D+01-0.10483118D+01
-0.92092360D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.67258693D+01
-0.61827275D+01-0.54314178D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.23657124D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.56624767D-11
-0.20170458D-12 0.13561940D-10 0.36658912D-10-0.46560943D-12 0.23752128D-01
-0.21834046D-01-0.19180827D-02-0.57311880D+00 0.52683708D+00 0.46281715D-01
-0.29302438D+01 0.26936145D+01 0.23662931D+00 0.22604009D-01-0.20778642D-01
-0.18253673D-02 0.26377028D-03 0.30025673D-02-0.32663376D-02 0.25628509D+00
-0.23558900D+00-0.20696081D-01 0.51599560D-01 0.58737153D+00-0.63897109D+00
-0.20170458D-12 0.13561940D-10 0.36658912D-10-0.46560943D-12-0.23752128D-01
0.21834046D-01-0.19180827D-02 0.57311880D+00-0.52683708D+00 0.46281715D-01
0.29302438D+01-0.26936145D+01 0.23662931D+00 0.22604009D-01-0.20778642D-01
-0.18253673D-02 0.26377028D-03-0.30025673D-02 0.32663376D-02 0.25628509D+00
-0.23558900D+00-0.20696081D-01 0.51599560D-01-0.58737153D+00 0.63897109D+00
-0.20170458D-12 0.13561940D-10 0.36658912D-10-0.46560943D-12-0.23752128D-01
-0.21834046D-01 0.19180827D-02 0.57311880D+00 0.52683708D+00-0.46281715D-01
0.29302438D+01 0.26936145D+01-0.23662931D+00 0.22604009D-01-0.20778642D-01
-0.18253673D-02-0.26377028D-03 0.30025673D-02 0.32663376D-02 0.25628509D+00
-0.23558900D+00-0.20696081D-01-0.51599560D-01 0.58737153D+00 0.63897109D+00
-0.20170458D-12 0.13561940D-10 0.36658912D-10-0.46560943D-12 0.23752128D-01
0.21834046D-01 0.19180827D-02-0.57311880D+00-0.52683708D+00-0.46281715D-01
-0.29302438D+01-0.26936145D+01-0.23662931D+00 0.22604009D-01-0.20778642D-01
-0.18253673D-02-0.26377028D-03-0.30025673D-02-0.32663376D-02 0.25628509D+00
-0.23558900D+00-0.20696081D-01-0.51599560D-01-0.58737153D+00-0.63897109D+00
63 Alpha MO OE= 0.12644585D+01
-0.19652059D-13 0.17941275D-12 0.43051173D-12-0.70571185D-10 0.59650006D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.18168954D-01 0.47491629D-01-0.29322675D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24008945D+00-0.62756719D+00
0.38747774D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.10911790D+01
0.28522208D+01-0.17610418D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.96939529D-13
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16426593D-11
0.14998156D-13-0.63669789D-11 0.31914165D-10-0.18711041D-12 0.47968123D-02
-0.12538335D-01 0.77415227D-02-0.11630688D+00 0.30401328D+00-0.18770640D+00
0.27395072D+00-0.71607679D+00 0.44212606D+00-0.12226498D-01 0.31958709D-01
-0.19732211D-01-0.15055075D-01 0.24383520D-01-0.93284449D-02 0.43988252D+00
-0.11498041D+01 0.70992156D+00 0.80351246D-01-0.13013859D+00 0.49787343D-01
0.14998156D-13-0.63669789D-11 0.31914165D-10-0.18711041D-12-0.47968123D-02
0.12538335D-01 0.77415227D-02 0.11630688D+00-0.30401328D+00-0.18770640D+00
-0.27395072D+00 0.71607679D+00 0.44212606D+00-0.12226498D-01 0.31958709D-01
-0.19732211D-01-0.15055075D-01-0.24383520D-01 0.93284449D-02 0.43988252D+00
-0.11498041D+01 0.70992156D+00 0.80351246D-01 0.13013859D+00-0.49787343D-01
0.14998156D-13-0.63669789D-11 0.31914165D-10-0.18711041D-12-0.47968123D-02
-0.12538335D-01-0.77415227D-02 0.11630688D+00 0.30401328D+00 0.18770640D+00
-0.27395072D+00-0.71607679D+00-0.44212606D+00-0.12226498D-01 0.31958709D-01
-0.19732211D-01 0.15055075D-01 0.24383520D-01 0.93284449D-02 0.43988252D+00
-0.11498041D+01 0.70992156D+00-0.80351246D-01-0.13013859D+00-0.49787343D-01
0.14998156D-13-0.63669789D-11 0.31914165D-10-0.18711041D-12 0.47968123D-02
0.12538335D-01-0.77415227D-02-0.11630688D+00-0.30401328D+00 0.18770640D+00
0.27395072D+00 0.71607679D+00-0.44212606D+00-0.12226498D-01 0.31958709D-01
-0.19732211D-01 0.15055075D-01-0.24383520D-01-0.93284449D-02 0.43988252D+00
-0.11498041D+01 0.70992156D+00-0.80351246D-01 0.13013859D+00 0.49787343D-01
64 Alpha MO OE= 0.12644585D+01
-0.91420964D-13 0.35014712D-12-0.75755593D-12-0.37172006D-11 0.12972161D-10
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.44348759D-01-0.64396040D-02-0.37909155D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.58603646D+00 0.85094664D-01
0.50094180D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.26634684D+01
-0.38674547D+00-0.22767229D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.90457542D-13
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.24053228D-11
0.22514474D-13 0.96733624D-11-0.18459455D-10-0.76601343D-12-0.11708581D-01
0.17001294D-02 0.10008452D-01 0.28389449D+00-0.41222531D-01-0.24267196D+00
-0.66868873D+00 0.97096079D-01 0.57159265D+00 0.29843766D-01-0.43334253D-02
-0.25510341D-01-0.19463612D-01-0.33062713D-02 0.22769883D-01-0.10737131D+01
0.15590712D+00 0.91780598D+00 0.10388029D+00 0.17646078D-01-0.12152636D+00
0.22514474D-13 0.96733624D-11-0.18459455D-10-0.76601343D-12 0.11708581D-01
-0.17001294D-02 0.10008452D-01-0.28389449D+00 0.41222531D-01-0.24267196D+00
0.66868873D+00-0.97096079D-01 0.57159265D+00 0.29843766D-01-0.43334253D-02
-0.25510341D-01-0.19463612D-01 0.33062713D-02-0.22769883D-01-0.10737131D+01
0.15590712D+00 0.91780598D+00 0.10388029D+00-0.17646078D-01 0.12152636D+00
0.22514474D-13 0.96733624D-11-0.18459455D-10-0.76601343D-12 0.11708581D-01
0.17001294D-02-0.10008452D-01-0.28389449D+00-0.41222531D-01 0.24267196D+00
0.66868873D+00 0.97096079D-01-0.57159265D+00 0.29843766D-01-0.43334253D-02
-0.25510341D-01 0.19463612D-01-0.33062713D-02-0.22769883D-01-0.10737131D+01
0.15590712D+00 0.91780598D+00-0.10388029D+00 0.17646078D-01 0.12152636D+00
0.22514474D-13 0.96733624D-11-0.18459455D-10-0.76601343D-12-0.11708581D-01
-0.17001294D-02-0.10008452D-01 0.28389449D+00 0.41222531D-01 0.24267196D+00
-0.66868873D+00-0.97096079D-01-0.57159265D+00 0.29843766D-01-0.43334253D-02
-0.25510341D-01 0.19463612D-01 0.33062713D-02 0.22769883D-01-0.10737131D+01
0.15590712D+00 0.91780598D+00-0.10388029D+00-0.17646078D-01-0.12152636D+00
65 Alpha MO OE= 0.12722037D+01
-0.66916431D-01-0.21091865D-01-0.10228657D+01 0.33110496D+02 0.41540254D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.88703620D-01-0.88703620D-01-0.88703620D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.11904754D+01-0.11904754D+01
-0.11904754D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.55968890D+01
0.55968890D+01 0.55968890D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.23712569D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.83837095D+00
0.17449144D-01 0.20881003D+01-0.16525600D+02-0.26809738D+00 0.38940817D-01
0.38940817D-01 0.38940817D-01 0.18760733D+00 0.18760733D+00 0.18760733D+00
0.12877790D+01 0.12877790D+01 0.12877790D+01 0.75422517D-01 0.75422517D-01
0.75422517D-01-0.49471140D-01-0.49471140D-01-0.49471140D-01 0.16328308D+01
0.16328308D+01 0.16328308D+01 0.11067663D+00 0.11067663D+00 0.11067663D+00
0.17449144D-01 0.20881003D+01-0.16525600D+02-0.26809738D+00-0.38940817D-01
-0.38940817D-01 0.38940817D-01-0.18760733D+00-0.18760733D+00 0.18760733D+00
-0.12877790D+01-0.12877790D+01 0.12877790D+01 0.75422517D-01 0.75422517D-01
0.75422517D-01-0.49471140D-01 0.49471140D-01 0.49471140D-01 0.16328308D+01
0.16328308D+01 0.16328308D+01 0.11067663D+00-0.11067663D+00-0.11067663D+00
0.17449144D-01 0.20881003D+01-0.16525600D+02-0.26809738D+00-0.38940817D-01
0.38940817D-01-0.38940817D-01-0.18760733D+00 0.18760733D+00-0.18760733D+00
-0.12877790D+01 0.12877790D+01-0.12877790D+01 0.75422517D-01 0.75422517D-01
0.75422517D-01 0.49471140D-01-0.49471140D-01 0.49471140D-01 0.16328308D+01
0.16328308D+01 0.16328308D+01-0.11067663D+00 0.11067663D+00-0.11067663D+00
0.17449144D-01 0.20881003D+01-0.16525600D+02-0.26809738D+00 0.38940817D-01
-0.38940817D-01-0.38940817D-01 0.18760733D+00-0.18760733D+00-0.18760733D+00
0.12877790D+01-0.12877790D+01-0.12877790D+01 0.75422517D-01 0.75422517D-01
0.75422517D-01 0.49471140D-01 0.49471140D-01-0.49471140D-01 0.16328308D+01
0.16328308D+01 0.16328308D+01-0.11067663D+00-0.11067663D+00 0.11067663D+00
66 Alpha MO OE= 0.12725128D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.75556280D-01 0.00000000D+00 0.00000000D+00-0.49425594D+01 0.00000000D+00
0.00000000D+00 0.19569530D+02 0.00000000D+00 0.00000000D+00 0.10454833D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.30332213D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.14042049D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20131674D+01
-0.10561021D+00 0.00000000D+00 0.00000000D+00-0.12469159D+00 0.00000000D+00
0.00000000D+00-0.12469159D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.35892520D+01 0.00000000D+00 0.00000000D+00-0.15866864D+01 0.00000000D+00
0.00000000D+00-0.15866864D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.12667297D+00 0.11046587D+01-0.51626193D+01-0.51622629D+00 0.54590538D-02
-0.61462432D-03-0.61462432D-03-0.71257312D+00-0.56712503D+00-0.56712503D+00
-0.79425605D+00 0.57257864D+00 0.57257864D+00-0.86312455D-01-0.84631838D-01
-0.84631838D-01 0.19272137D-01 0.19272137D-01 0.11181394D-01-0.11028644D+01
-0.11069022D+01-0.11069022D+01 0.50548319D+00 0.50548319D+00 0.98977614D+00
0.12667297D+00-0.11046587D+01 0.51626193D+01 0.51622629D+00 0.54590538D-02
-0.61462432D-03 0.61462432D-03-0.71257312D+00-0.56712503D+00 0.56712503D+00
-0.79425605D+00 0.57257864D+00-0.57257864D+00 0.86312455D-01 0.84631838D-01
0.84631838D-01-0.19272137D-01 0.19272137D-01 0.11181394D-01 0.11028644D+01
0.11069022D+01 0.11069022D+01-0.50548319D+00 0.50548319D+00 0.98977614D+00
0.12667297D+00-0.11046587D+01 0.51626193D+01 0.51622629D+00 0.54590538D-02
0.61462432D-03-0.61462432D-03-0.71257312D+00 0.56712503D+00-0.56712503D+00
-0.79425605D+00-0.57257864D+00 0.57257864D+00 0.86312455D-01 0.84631838D-01
0.84631838D-01 0.19272137D-01-0.19272137D-01 0.11181394D-01 0.11028644D+01
0.11069022D+01 0.11069022D+01 0.50548319D+00-0.50548319D+00 0.98977614D+00
-0.12667297D+00 0.11046587D+01-0.51626193D+01-0.51622629D+00 0.54590538D-02
0.61462432D-03 0.61462432D-03-0.71257312D+00 0.56712503D+00 0.56712503D+00
-0.79425605D+00-0.57257864D+00-0.57257864D+00-0.86312455D-01-0.84631838D-01
-0.84631838D-01-0.19272137D-01-0.19272137D-01 0.11181394D-01-0.11028644D+01
-0.11069022D+01-0.11069022D+01-0.50548319D+00-0.50548319D+00 0.98977614D+00
67 Alpha MO OE= 0.12725128D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.75556280D-01 0.00000000D+00 0.00000000D+00
-0.49425594D+01 0.00000000D+00 0.00000000D+00 0.19569530D+02 0.00000000D+00
0.00000000D+00 0.10454833D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.30332213D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.14042049D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.20131674D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.10561021D+00 0.00000000D+00 0.00000000D+00
-0.12469159D+00 0.00000000D+00 0.00000000D+00-0.12469159D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.35892520D+01 0.00000000D+00 0.00000000D+00
-0.15866864D+01 0.00000000D+00 0.00000000D+00-0.15866864D+01 0.00000000D+00
-0.12667297D+00 0.11046587D+01-0.51626193D+01-0.51622629D+00-0.61462432D-03
-0.61462432D-03 0.54590538D-02-0.56712503D+00-0.56712503D+00-0.71257312D+00
0.57257864D+00 0.57257864D+00-0.79425605D+00-0.84631838D-01-0.84631838D-01
-0.86312455D-01 0.11181394D-01 0.19272137D-01 0.19272137D-01-0.11069022D+01
-0.11069022D+01-0.11028644D+01 0.98977614D+00 0.50548319D+00 0.50548319D+00
-0.12667297D+00 0.11046587D+01-0.51626193D+01-0.51622629D+00 0.61462432D-03
0.61462432D-03 0.54590538D-02 0.56712503D+00 0.56712503D+00-0.71257312D+00
-0.57257864D+00-0.57257864D+00-0.79425605D+00-0.84631838D-01-0.84631838D-01
-0.86312455D-01 0.11181394D-01-0.19272137D-01-0.19272137D-01-0.11069022D+01
-0.11069022D+01-0.11028644D+01 0.98977614D+00-0.50548319D+00-0.50548319D+00
0.12667297D+00-0.11046587D+01 0.51626193D+01 0.51622629D+00-0.61462432D-03
0.61462432D-03 0.54590538D-02-0.56712503D+00 0.56712503D+00-0.71257312D+00
0.57257864D+00-0.57257864D+00-0.79425605D+00 0.84631838D-01 0.84631838D-01
0.86312455D-01 0.11181394D-01-0.19272137D-01 0.19272137D-01 0.11069022D+01
0.11069022D+01 0.11028644D+01 0.98977614D+00-0.50548319D+00 0.50548319D+00
0.12667297D+00-0.11046587D+01 0.51626193D+01 0.51622629D+00 0.61462432D-03
-0.61462432D-03 0.54590538D-02 0.56712503D+00-0.56712503D+00-0.71257312D+00
-0.57257864D+00 0.57257864D+00-0.79425605D+00 0.84631838D-01 0.84631838D-01
0.86312455D-01 0.11181394D-01 0.19272137D-01-0.19272137D-01 0.11069022D+01
0.11069022D+01 0.11028644D+01 0.98977614D+00 0.50548319D+00-0.50548319D+00
68 Alpha MO OE= 0.12725128D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.75556280D-01 0.00000000D+00 0.00000000D+00-0.49425594D+01
0.00000000D+00 0.00000000D+00 0.19569530D+02 0.00000000D+00 0.00000000D+00
0.10454833D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.30332213D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.14042049D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20131674D+01 0.00000000D+00
0.00000000D+00-0.10561021D+00 0.00000000D+00 0.00000000D+00-0.12469159D+00
0.00000000D+00 0.00000000D+00-0.12469159D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.35892520D+01 0.00000000D+00 0.00000000D+00-0.15866864D+01
0.00000000D+00 0.00000000D+00-0.15866864D+01 0.00000000D+00 0.00000000D+00
-0.12667297D+00 0.11046587D+01-0.51626193D+01-0.51622629D+00-0.61462432D-03
0.54590538D-02-0.61462432D-03-0.56712503D+00-0.71257312D+00-0.56712503D+00
0.57257864D+00-0.79425605D+00 0.57257864D+00-0.84631838D-01-0.86312455D-01
-0.84631838D-01 0.19272137D-01 0.11181394D-01 0.19272137D-01-0.11069022D+01
-0.11028644D+01-0.11069022D+01 0.50548319D+00 0.98977614D+00 0.50548319D+00
0.12667297D+00-0.11046587D+01 0.51626193D+01 0.51622629D+00-0.61462432D-03
0.54590538D-02 0.61462432D-03-0.56712503D+00-0.71257312D+00 0.56712503D+00
0.57257864D+00-0.79425605D+00-0.57257864D+00 0.84631838D-01 0.86312455D-01
0.84631838D-01-0.19272137D-01 0.11181394D-01 0.19272137D-01 0.11069022D+01
0.11028644D+01 0.11069022D+01-0.50548319D+00 0.98977614D+00 0.50548319D+00
-0.12667297D+00 0.11046587D+01-0.51626193D+01-0.51622629D+00 0.61462432D-03
0.54590538D-02 0.61462432D-03 0.56712503D+00-0.71257312D+00 0.56712503D+00
-0.57257864D+00-0.79425605D+00-0.57257864D+00-0.84631838D-01-0.86312455D-01
-0.84631838D-01-0.19272137D-01 0.11181394D-01-0.19272137D-01-0.11069022D+01
-0.11028644D+01-0.11069022D+01-0.50548319D+00 0.98977614D+00-0.50548319D+00
0.12667297D+00-0.11046587D+01 0.51626193D+01 0.51622629D+00 0.61462432D-03
0.54590538D-02-0.61462432D-03 0.56712503D+00-0.71257312D+00-0.56712503D+00
-0.57257864D+00-0.79425605D+00 0.57257864D+00 0.84631838D-01 0.86312455D-01
0.84631838D-01 0.19272137D-01 0.11181394D-01-0.19272137D-01 0.11069022D+01
0.11028644D+01 0.11069022D+01 0.50548319D+00 0.98977614D+00-0.50548319D+00
69 Alpha MO OE= 0.14097948D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.26349132D+00 0.00000000D+00 0.00000000D+00
-0.87314030D+01 0.00000000D+00 0.00000000D+00 0.38869830D+02 0.00000000D+00
0.00000000D+00 0.26564728D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.19679800D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.41218590D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.55651433D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.24159454D+00 0.00000000D+00 0.00000000D+00
-0.20608561D+00 0.00000000D+00 0.00000000D+00-0.20608561D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.74287726D+01 0.00000000D+00 0.00000000D+00
-0.58807935D+01 0.00000000D+00 0.00000000D+00-0.58807935D+01 0.00000000D+00
-0.81834626D-02 0.62535536D+01-0.26145202D+02-0.15180098D+01-0.78082573D-02
-0.78082573D-02-0.85098696D-02-0.88946628D+00-0.88946628D+00-0.16191935D+01
0.31957262D+01 0.31957262D+01 0.24970761D+01 0.21477153D-01 0.21477153D-01
0.71370018D-01 0.28549744D-01 0.36254856D-01 0.36254856D-01 0.41845975D+00
0.41845975D+00-0.40141936D-01-0.58891062D+00 0.25342565D+00 0.25342565D+00
-0.81834626D-02 0.62535536D+01-0.26145202D+02-0.15180098D+01 0.78082573D-02
0.78082573D-02-0.85098696D-02 0.88946628D+00 0.88946628D+00-0.16191935D+01
-0.31957262D+01-0.31957262D+01 0.24970761D+01 0.21477153D-01 0.21477153D-01
0.71370018D-01 0.28549744D-01-0.36254856D-01-0.36254856D-01 0.41845975D+00
0.41845975D+00-0.40141936D-01-0.58891062D+00-0.25342565D+00-0.25342565D+00
0.81834626D-02-0.62535536D+01 0.26145202D+02 0.15180098D+01-0.78082573D-02
0.78082573D-02-0.85098696D-02-0.88946628D+00 0.88946628D+00-0.16191935D+01
0.31957262D+01-0.31957262D+01 0.24970761D+01-0.21477153D-01-0.21477153D-01
-0.71370018D-01 0.28549744D-01-0.36254856D-01 0.36254856D-01-0.41845975D+00
-0.41845975D+00 0.40141936D-01-0.58891062D+00-0.25342565D+00 0.25342565D+00
0.81834626D-02-0.62535536D+01 0.26145202D+02 0.15180098D+01 0.78082573D-02
-0.78082573D-02-0.85098696D-02 0.88946628D+00-0.88946628D+00-0.16191935D+01
-0.31957262D+01 0.31957262D+01 0.24970761D+01-0.21477153D-01-0.21477153D-01
-0.71370018D-01 0.28549744D-01 0.36254856D-01-0.36254856D-01-0.41845975D+00
-0.41845975D+00 0.40141936D-01-0.58891062D+00 0.25342565D+00-0.25342565D+00
70 Alpha MO OE= 0.14097948D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.26349132D+00 0.00000000D+00 0.00000000D+00-0.87314030D+01
0.00000000D+00 0.00000000D+00 0.38869830D+02 0.00000000D+00 0.00000000D+00
0.26564728D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.19679800D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.41218590D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.55651433D+01 0.00000000D+00
0.00000000D+00-0.24159454D+00 0.00000000D+00 0.00000000D+00-0.20608561D+00
0.00000000D+00 0.00000000D+00-0.20608561D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.74287726D+01 0.00000000D+00 0.00000000D+00-0.58807935D+01
0.00000000D+00 0.00000000D+00-0.58807935D+01 0.00000000D+00 0.00000000D+00
-0.81834626D-02 0.62535536D+01-0.26145202D+02-0.15180098D+01-0.78082573D-02
-0.85098696D-02-0.78082573D-02-0.88946628D+00-0.16191935D+01-0.88946628D+00
0.31957262D+01 0.24970761D+01 0.31957262D+01 0.21477153D-01 0.71370018D-01
0.21477153D-01 0.36254856D-01 0.28549744D-01 0.36254856D-01 0.41845975D+00
-0.40141936D-01 0.41845975D+00 0.25342565D+00-0.58891062D+00 0.25342565D+00
0.81834626D-02-0.62535536D+01 0.26145202D+02 0.15180098D+01-0.78082573D-02
-0.85098696D-02 0.78082573D-02-0.88946628D+00-0.16191935D+01 0.88946628D+00
0.31957262D+01 0.24970761D+01-0.31957262D+01-0.21477153D-01-0.71370018D-01
-0.21477153D-01-0.36254856D-01 0.28549744D-01 0.36254856D-01-0.41845975D+00
0.40141936D-01-0.41845975D+00-0.25342565D+00-0.58891062D+00 0.25342565D+00
-0.81834626D-02 0.62535536D+01-0.26145202D+02-0.15180098D+01 0.78082573D-02
-0.85098696D-02 0.78082573D-02 0.88946628D+00-0.16191935D+01 0.88946628D+00
-0.31957262D+01 0.24970761D+01-0.31957262D+01 0.21477153D-01 0.71370018D-01
0.21477153D-01-0.36254856D-01 0.28549744D-01-0.36254856D-01 0.41845975D+00
-0.40141936D-01 0.41845975D+00-0.25342565D+00-0.58891062D+00-0.25342565D+00
0.81834626D-02-0.62535536D+01 0.26145202D+02 0.15180098D+01 0.78082573D-02
-0.85098696D-02-0.78082573D-02 0.88946628D+00-0.16191935D+01-0.88946628D+00
-0.31957262D+01 0.24970761D+01 0.31957262D+01-0.21477153D-01-0.71370018D-01
-0.21477153D-01 0.36254856D-01 0.28549744D-01-0.36254856D-01-0.41845975D+00
0.40141936D-01-0.41845975D+00 0.25342565D+00-0.58891062D+00-0.25342565D+00
71 Alpha MO OE= 0.14097948D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.26349132D+00 0.00000000D+00 0.00000000D+00-0.87314030D+01 0.00000000D+00
0.00000000D+00 0.38869830D+02 0.00000000D+00 0.00000000D+00 0.26564728D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.19679800D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.41218590D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.55651433D+01
-0.24159454D+00 0.00000000D+00 0.00000000D+00-0.20608561D+00 0.00000000D+00
0.00000000D+00-0.20608561D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.74287726D+01 0.00000000D+00 0.00000000D+00-0.58807935D+01 0.00000000D+00
0.00000000D+00-0.58807935D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.81834626D-02 0.62535536D+01-0.26145202D+02-0.15180098D+01-0.85098696D-02
-0.78082573D-02-0.78082573D-02-0.16191935D+01-0.88946628D+00-0.88946628D+00
0.24970761D+01 0.31957262D+01 0.31957262D+01 0.71370018D-01 0.21477153D-01
0.21477153D-01 0.36254856D-01 0.36254856D-01 0.28549744D-01-0.40141936D-01
0.41845975D+00 0.41845975D+00 0.25342565D+00 0.25342565D+00-0.58891062D+00
0.81834626D-02-0.62535536D+01 0.26145202D+02 0.15180098D+01-0.85098696D-02
-0.78082573D-02 0.78082573D-02-0.16191935D+01-0.88946628D+00 0.88946628D+00
0.24970761D+01 0.31957262D+01-0.31957262D+01-0.71370018D-01-0.21477153D-01
-0.21477153D-01-0.36254856D-01 0.36254856D-01 0.28549744D-01 0.40141936D-01
-0.41845975D+00-0.41845975D+00-0.25342565D+00 0.25342565D+00-0.58891062D+00
0.81834626D-02-0.62535536D+01 0.26145202D+02 0.15180098D+01-0.85098696D-02
0.78082573D-02-0.78082573D-02-0.16191935D+01 0.88946628D+00-0.88946628D+00
0.24970761D+01-0.31957262D+01 0.31957262D+01-0.71370018D-01-0.21477153D-01
-0.21477153D-01 0.36254856D-01-0.36254856D-01 0.28549744D-01 0.40141936D-01
-0.41845975D+00-0.41845975D+00 0.25342565D+00-0.25342565D+00-0.58891062D+00
-0.81834626D-02 0.62535536D+01-0.26145202D+02-0.15180098D+01-0.85098696D-02
0.78082573D-02 0.78082573D-02-0.16191935D+01 0.88946628D+00 0.88946628D+00
0.24970761D+01-0.31957262D+01-0.31957262D+01 0.71370018D-01 0.21477153D-01
0.21477153D-01-0.36254856D-01-0.36254856D-01 0.28549744D-01-0.40141936D-01
0.41845975D+00 0.41845975D+00-0.25342565D+00-0.25342565D+00-0.58891062D+00
72 Alpha MO OE= 0.14617038D+01
0.25831045D-01 0.26745580D+00 0.38709095D+00 0.10755701D+03-0.10464983D+02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.50099557D-01-0.50099557D-01-0.50099557D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.43914554D-01-0.43914554D-01
-0.43914554D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24237263D+02
0.24237263D+02 0.24237263D+02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.24822404D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.76475287D+00
0.38959103D-01 0.69170294D+01-0.48776870D+02 0.41010403D+00-0.12625435D-01
-0.12625435D-01-0.12625435D-01-0.47708380D+00-0.47708380D+00-0.47708380D+00
0.54819496D+01 0.54819496D+01 0.54819496D+01 0.74208174D-01 0.74208174D-01
0.74208174D-01 0.55409291D-01 0.55409291D-01 0.55409291D-01 0.30594335D+01
0.30594335D+01 0.30594335D+01-0.65630279D+00-0.65630279D+00-0.65630279D+00
0.38959103D-01 0.69170294D+01-0.48776870D+02 0.41010403D+00 0.12625435D-01
0.12625435D-01-0.12625435D-01 0.47708380D+00 0.47708380D+00-0.47708380D+00
-0.54819496D+01-0.54819496D+01 0.54819496D+01 0.74208174D-01 0.74208174D-01
0.74208174D-01 0.55409291D-01-0.55409291D-01-0.55409291D-01 0.30594335D+01
0.30594335D+01 0.30594335D+01-0.65630279D+00 0.65630279D+00 0.65630279D+00
0.38959103D-01 0.69170294D+01-0.48776870D+02 0.41010403D+00 0.12625435D-01
-0.12625435D-01 0.12625435D-01 0.47708380D+00-0.47708380D+00 0.47708380D+00
-0.54819496D+01 0.54819496D+01-0.54819496D+01 0.74208174D-01 0.74208174D-01
0.74208174D-01-0.55409291D-01 0.55409291D-01-0.55409291D-01 0.30594335D+01
0.30594335D+01 0.30594335D+01 0.65630279D+00-0.65630279D+00 0.65630279D+00
0.38959103D-01 0.69170294D+01-0.48776870D+02 0.41010403D+00-0.12625435D-01
0.12625435D-01 0.12625435D-01-0.47708380D+00 0.47708380D+00 0.47708380D+00
0.54819496D+01-0.54819496D+01-0.54819496D+01 0.74208174D-01 0.74208174D-01
0.74208174D-01-0.55409291D-01-0.55409291D-01 0.55409291D-01 0.30594335D+01
0.30594335D+01 0.30594335D+01 0.65630279D+00 0.65630279D+00-0.65630279D+00
73 Alpha MO OE= 0.16191130D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.38964122D-13 0.00000000D+00 0.00000000D+00 0.10720239D-12 0.00000000D+00
0.00000000D+00 0.71853911D-11 0.00000000D+00 0.00000000D+00 0.53160084D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.12892459D-13 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.58792653D-12 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12768437D-11
-0.62093530D-13 0.00000000D+00 0.00000000D+00-0.82970318D-01 0.00000000D+00
0.00000000D+00 0.82970318D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.95328799D-12 0.00000000D+00 0.00000000D+00 0.16568657D+01 0.00000000D+00
0.00000000D+00-0.16568657D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.99190398D-14-0.47628126D-12-0.61436953D-11-0.34361561D-12 0.19628567D-14
-0.16343402D-02 0.16343402D-02 0.12792598D-12-0.88385405D-01 0.88385405D-01
0.88662353D-12 0.70444308D+00-0.70444308D+00-0.42189247D-14 0.16911140D-01
-0.16911140D-01 0.19154283D-01-0.19154283D-01-0.79334483D-14 0.13241630D-13
-0.28478961D+00 0.28478961D+00-0.81247430D+00 0.81247430D+00-0.45020941D-13
0.99190398D-14 0.47628126D-12 0.61436953D-11 0.34361561D-12 0.19628567D-14
-0.16343402D-02-0.16343402D-02 0.12792598D-12-0.88385405D-01-0.88385405D-01
0.88662353D-12 0.70444308D+00 0.70444308D+00 0.42189247D-14-0.16911140D-01
0.16911140D-01-0.19154283D-01-0.19154283D-01-0.79334483D-14-0.13241630D-13
0.28478961D+00-0.28478961D+00 0.81247430D+00 0.81247430D+00-0.45020941D-13
0.99190398D-14 0.47628126D-12 0.61436953D-11 0.34361561D-12 0.19628567D-14
0.16343402D-02 0.16343402D-02 0.12792598D-12 0.88385405D-01 0.88385405D-01
0.88662353D-12-0.70444308D+00-0.70444308D+00 0.42189247D-14-0.16911140D-01
0.16911140D-01 0.19154283D-01 0.19154283D-01-0.79334483D-14-0.13241630D-13
0.28478961D+00-0.28478961D+00-0.81247430D+00-0.81247430D+00-0.45020941D-13
-0.99190398D-14-0.47628126D-12-0.61436953D-11-0.34361561D-12 0.19628567D-14
0.16343402D-02-0.16343402D-02 0.12792598D-12 0.88385405D-01-0.88385405D-01
0.88662353D-12-0.70444308D+00 0.70444308D+00-0.42189247D-14 0.16911140D-01
-0.16911140D-01-0.19154283D-01 0.19154283D-01-0.79334483D-14 0.13241630D-13
-0.28478961D+00 0.28478961D+00 0.81247430D+00-0.81247430D+00-0.45020941D-13
74 Alpha MO OE= 0.16191130D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.17117842D-12 0.00000000D+00 0.00000000D+00
-0.10445602D-11 0.00000000D+00 0.00000000D+00 0.17211253D-10 0.00000000D+00
0.00000000D+00 0.16570855D-11 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.88541868D-14 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.31333073D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.27216633D-11 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.29778377D-13 0.00000000D+00 0.00000000D+00
-0.82970318D-01 0.00000000D+00 0.00000000D+00 0.82970318D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.22162846D-11 0.00000000D+00 0.00000000D+00
0.16568657D+01 0.00000000D+00 0.00000000D+00-0.16568657D+01 0.00000000D+00
0.30452416D-13-0.19716331D-12-0.14091660D-10-0.10590684D-11-0.16343402D-02
0.16343402D-02 0.12997713D-13-0.88385405D-01 0.88385405D-01-0.30246175D-12
0.70444308D+00-0.70444308D+00 0.16577704D-11 0.16911140D-01-0.16911140D-01
0.28821620D-13 0.21144209D-14 0.19154283D-01-0.19154283D-01-0.28478961D+00
0.28478961D+00 0.37459392D-12-0.77391760D-13-0.81247430D+00 0.81247430D+00
0.30452416D-13-0.19716331D-12-0.14091660D-10-0.10590684D-11 0.16343402D-02
-0.16343402D-02 0.12997713D-13 0.88385405D-01-0.88385405D-01-0.30246175D-12
-0.70444308D+00 0.70444308D+00 0.16577704D-11 0.16911140D-01-0.16911140D-01
0.28821620D-13 0.21144209D-14-0.19154283D-01 0.19154283D-01-0.28478961D+00
0.28478961D+00 0.37459392D-12-0.77391760D-13 0.81247430D+00-0.81247430D+00
-0.30452416D-13 0.19716331D-12 0.14091660D-10 0.10590684D-11-0.16343402D-02
-0.16343402D-02 0.12997713D-13-0.88385405D-01-0.88385405D-01-0.30246175D-12
0.70444308D+00 0.70444308D+00 0.16577704D-11-0.16911140D-01 0.16911140D-01
-0.28821620D-13 0.21144209D-14-0.19154283D-01-0.19154283D-01 0.28478961D+00
-0.28478961D+00-0.37459392D-12-0.77391760D-13 0.81247430D+00 0.81247430D+00
-0.30452416D-13 0.19716331D-12 0.14091660D-10 0.10590684D-11 0.16343402D-02
0.16343402D-02 0.12997713D-13 0.88385405D-01 0.88385405D-01-0.30246175D-12
-0.70444308D+00-0.70444308D+00 0.16577704D-11-0.16911140D-01 0.16911140D-01
-0.28821620D-13 0.21144209D-14 0.19154283D-01 0.19154283D-01 0.28478961D+00
-0.28478961D+00-0.37459392D-12-0.77391760D-13-0.81247430D+00-0.81247430D+00
75 Alpha MO OE= 0.16191130D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.68885416D-13 0.00000000D+00 0.00000000D+00-0.23283636D-11
0.00000000D+00 0.00000000D+00-0.15737670D-12 0.00000000D+00 0.00000000D+00
-0.15896551D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.19895809D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.16997360D-11 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.34658108D-13 0.00000000D+00
0.00000000D+00-0.54636353D-13 0.00000000D+00 0.00000000D+00-0.82970318D-01
0.00000000D+00 0.00000000D+00 0.82970318D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.24616491D-12 0.00000000D+00 0.00000000D+00 0.16568657D+01
0.00000000D+00 0.00000000D+00-0.16568657D+01 0.00000000D+00 0.00000000D+00
-0.22253694D-13 0.20962502D-11 0.11245274D-11 0.68823085D-13-0.16343402D-02
-0.10392593D-13 0.16343402D-02-0.88385405D-01-0.50455931D-12 0.88385405D-01
0.70444308D+00-0.14223084D-12-0.70444308D+00 0.16911140D-01 0.22623713D-14
-0.16911140D-01 0.19154283D-01 0.18549910D-13-0.19154283D-01-0.28478961D+00
-0.31469092D-12 0.28478961D+00-0.81247430D+00 0.35967896D-13 0.81247430D+00
0.22253694D-13-0.20962502D-11-0.11245274D-11-0.68823085D-13-0.16343402D-02
-0.10392593D-13-0.16343402D-02-0.88385405D-01-0.50455931D-12-0.88385405D-01
0.70444308D+00-0.14223084D-12 0.70444308D+00-0.16911140D-01-0.22623713D-14
0.16911140D-01-0.19154283D-01 0.18549910D-13-0.19154283D-01 0.28478961D+00
0.31469092D-12-0.28478961D+00 0.81247430D+00 0.35967896D-13 0.81247430D+00
-0.22253694D-13 0.20962502D-11 0.11245274D-11 0.68823085D-13 0.16343402D-02
-0.10392593D-13-0.16343402D-02 0.88385405D-01-0.50455931D-12-0.88385405D-01
-0.70444308D+00-0.14223084D-12 0.70444308D+00 0.16911140D-01 0.22623713D-14
-0.16911140D-01-0.19154283D-01 0.18549910D-13 0.19154283D-01-0.28478961D+00
-0.31469092D-12 0.28478961D+00 0.81247430D+00 0.35967896D-13-0.81247430D+00
0.22253694D-13-0.20962502D-11-0.11245274D-11-0.68823085D-13 0.16343402D-02
-0.10392593D-13 0.16343402D-02 0.88385405D-01-0.50455931D-12 0.88385405D-01
-0.70444308D+00-0.14223084D-12-0.70444308D+00-0.16911140D-01-0.22623713D-14
0.16911140D-01 0.19154283D-01 0.18549910D-13 0.19154283D-01 0.28478961D+00
0.31469092D-12-0.28478961D+00-0.81247430D+00 0.35967896D-13-0.81247430D+00
76 Alpha MO OE= 0.17457201D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.58695068D-01 0.00000000D+00 0.00000000D+00-0.40019707D+01
0.00000000D+00 0.00000000D+00 0.41285100D+01 0.00000000D+00 0.00000000D+00
-0.11271531D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.11549504D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.73488078D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.30815556D+01 0.00000000D+00
0.00000000D+00-0.13341648D+00 0.00000000D+00 0.00000000D+00 0.80006100D-01
0.00000000D+00 0.00000000D+00 0.80006100D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.16304161D+01 0.00000000D+00 0.00000000D+00-0.32457538D+01
0.00000000D+00 0.00000000D+00-0.32457538D+01 0.00000000D+00 0.00000000D+00
-0.34853376D-03 0.22479970D+01-0.19841069D+01 0.13742437D+00 0.42279727D-02
0.41048398D-02 0.42279727D-02-0.34750989D+00-0.66600459D+00-0.34750989D+00
-0.58664641D+00 0.51720367D+00-0.58664641D+00 0.14019698D-03 0.28212060D-01
0.14019698D-03 0.54063252D-02-0.53864352D-02 0.54063252D-02 0.17611226D+00
-0.16004569D+01 0.17611226D+00 0.57372405D+00-0.27288650D+00 0.57372405D+00
0.34853376D-03-0.22479970D+01 0.19841069D+01-0.13742437D+00 0.42279727D-02
0.41048398D-02-0.42279727D-02-0.34750989D+00-0.66600459D+00 0.34750989D+00
-0.58664641D+00 0.51720367D+00 0.58664641D+00-0.14019698D-03-0.28212060D-01
-0.14019698D-03-0.54063252D-02-0.53864352D-02 0.54063252D-02-0.17611226D+00
0.16004569D+01-0.17611226D+00-0.57372405D+00-0.27288650D+00 0.57372405D+00
-0.34853376D-03 0.22479970D+01-0.19841069D+01 0.13742437D+00-0.42279727D-02
0.41048398D-02-0.42279727D-02 0.34750989D+00-0.66600459D+00 0.34750989D+00
0.58664641D+00 0.51720367D+00 0.58664641D+00 0.14019698D-03 0.28212060D-01
0.14019698D-03-0.54063252D-02-0.53864352D-02-0.54063252D-02 0.17611226D+00
-0.16004569D+01 0.17611226D+00-0.57372405D+00-0.27288650D+00-0.57372405D+00
0.34853376D-03-0.22479970D+01 0.19841069D+01-0.13742437D+00-0.42279727D-02
0.41048398D-02 0.42279727D-02 0.34750989D+00-0.66600459D+00-0.34750989D+00
0.58664641D+00 0.51720367D+00-0.58664641D+00-0.14019698D-03-0.28212060D-01
-0.14019698D-03 0.54063252D-02-0.53864352D-02-0.54063252D-02-0.17611226D+00
0.16004569D+01-0.17611226D+00 0.57372405D+00-0.27288650D+00-0.57372405D+00
77 Alpha MO OE= 0.17457201D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.58695068D-01 0.00000000D+00 0.00000000D+00-0.40019707D+01 0.00000000D+00
0.00000000D+00 0.41285100D+01 0.00000000D+00 0.00000000D+00-0.11271531D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.11549504D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.73488078D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.30815556D+01
-0.13341648D+00 0.00000000D+00 0.00000000D+00 0.80006100D-01 0.00000000D+00
0.00000000D+00 0.80006100D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.16304161D+01 0.00000000D+00 0.00000000D+00-0.32457538D+01 0.00000000D+00
0.00000000D+00-0.32457538D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.34853376D-03 0.22479970D+01-0.19841069D+01 0.13742437D+00 0.41048398D-02
0.42279727D-02 0.42279727D-02-0.66600459D+00-0.34750989D+00-0.34750989D+00
0.51720367D+00-0.58664641D+00-0.58664641D+00 0.28212060D-01 0.14019698D-03
0.14019698D-03 0.54063252D-02 0.54063252D-02-0.53864352D-02-0.16004569D+01
0.17611226D+00 0.17611226D+00 0.57372405D+00 0.57372405D+00-0.27288650D+00
0.34853376D-03-0.22479970D+01 0.19841069D+01-0.13742437D+00 0.41048398D-02
0.42279727D-02-0.42279727D-02-0.66600459D+00-0.34750989D+00 0.34750989D+00
0.51720367D+00-0.58664641D+00 0.58664641D+00-0.28212060D-01-0.14019698D-03
-0.14019698D-03-0.54063252D-02 0.54063252D-02-0.53864352D-02 0.16004569D+01
-0.17611226D+00-0.17611226D+00-0.57372405D+00 0.57372405D+00-0.27288650D+00
0.34853376D-03-0.22479970D+01 0.19841069D+01-0.13742437D+00 0.41048398D-02
-0.42279727D-02 0.42279727D-02-0.66600459D+00 0.34750989D+00-0.34750989D+00
0.51720367D+00 0.58664641D+00-0.58664641D+00-0.28212060D-01-0.14019698D-03
-0.14019698D-03 0.54063252D-02-0.54063252D-02-0.53864352D-02 0.16004569D+01
-0.17611226D+00-0.17611226D+00 0.57372405D+00-0.57372405D+00-0.27288650D+00
-0.34853376D-03 0.22479970D+01-0.19841069D+01 0.13742437D+00 0.41048398D-02
-0.42279727D-02-0.42279727D-02-0.66600459D+00 0.34750989D+00 0.34750989D+00
0.51720367D+00 0.58664641D+00 0.58664641D+00 0.28212060D-01 0.14019698D-03
0.14019698D-03-0.54063252D-02-0.54063252D-02-0.53864352D-02-0.16004569D+01
0.17611226D+00 0.17611226D+00-0.57372405D+00-0.57372405D+00-0.27288650D+00
78 Alpha MO OE= 0.17457201D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.58695068D-01 0.00000000D+00 0.00000000D+00
-0.40019707D+01 0.00000000D+00 0.00000000D+00 0.41285100D+01 0.00000000D+00
0.00000000D+00-0.11271531D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.11549504D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.73488078D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.30815556D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.13341648D+00 0.00000000D+00 0.00000000D+00
0.80006100D-01 0.00000000D+00 0.00000000D+00 0.80006100D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.16304161D+01 0.00000000D+00 0.00000000D+00
-0.32457538D+01 0.00000000D+00 0.00000000D+00-0.32457538D+01 0.00000000D+00
-0.34853376D-03 0.22479970D+01-0.19841069D+01 0.13742437D+00 0.42279727D-02
0.42279727D-02 0.41048398D-02-0.34750989D+00-0.34750989D+00-0.66600459D+00
-0.58664641D+00-0.58664641D+00 0.51720367D+00 0.14019698D-03 0.14019698D-03
0.28212060D-01-0.53864352D-02 0.54063252D-02 0.54063252D-02 0.17611226D+00
0.17611226D+00-0.16004569D+01-0.27288650D+00 0.57372405D+00 0.57372405D+00
-0.34853376D-03 0.22479970D+01-0.19841069D+01 0.13742437D+00-0.42279727D-02
-0.42279727D-02 0.41048398D-02 0.34750989D+00 0.34750989D+00-0.66600459D+00
0.58664641D+00 0.58664641D+00 0.51720367D+00 0.14019698D-03 0.14019698D-03
0.28212060D-01-0.53864352D-02-0.54063252D-02-0.54063252D-02 0.17611226D+00
0.17611226D+00-0.16004569D+01-0.27288650D+00-0.57372405D+00-0.57372405D+00
0.34853376D-03-0.22479970D+01 0.19841069D+01-0.13742437D+00 0.42279727D-02
-0.42279727D-02 0.41048398D-02-0.34750989D+00 0.34750989D+00-0.66600459D+00
-0.58664641D+00 0.58664641D+00 0.51720367D+00-0.14019698D-03-0.14019698D-03
-0.28212060D-01-0.53864352D-02-0.54063252D-02 0.54063252D-02-0.17611226D+00
-0.17611226D+00 0.16004569D+01-0.27288650D+00-0.57372405D+00 0.57372405D+00
0.34853376D-03-0.22479970D+01 0.19841069D+01-0.13742437D+00-0.42279727D-02
0.42279727D-02 0.41048398D-02 0.34750989D+00-0.34750989D+00-0.66600459D+00
0.58664641D+00-0.58664641D+00 0.51720367D+00-0.14019698D-03-0.14019698D-03
-0.28212060D-01-0.53864352D-02 0.54063252D-02-0.54063252D-02-0.17611226D+00
-0.17611226D+00 0.16004569D+01-0.27288650D+00 0.57372405D+00-0.57372405D+00
79 Alpha MO OE= 0.17859583D+01
-0.12897237D+00 0.65829790D+00-0.24627741D+01 0.97766868D+02 0.51054054D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.31997121D+00-0.31997121D+00-0.31997121D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.18214263D+01-0.18214263D+01
-0.18214263D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.91668157D+00
0.91668157D+00 0.91668157D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.32088407D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.50453933D+01
0.83953038D-01-0.14829832D+02-0.13831582D+02-0.35221387D+00 0.17934054D-01
0.17934054D-01 0.17934054D-01 0.18619439D+01 0.18619439D+01 0.18619439D+01
0.21358938D+01 0.21358938D+01 0.21358938D+01 0.21390624D-01 0.21390624D-01
0.21390624D-01-0.84794799D-01-0.84794799D-01-0.84794799D-01-0.11881916D+01
-0.11881916D+01-0.11881916D+01 0.44109885D+00 0.44109885D+00 0.44109885D+00
0.83953038D-01-0.14829832D+02-0.13831582D+02-0.35221387D+00-0.17934054D-01
-0.17934054D-01 0.17934054D-01-0.18619439D+01-0.18619439D+01 0.18619439D+01
-0.21358938D+01-0.21358938D+01 0.21358938D+01 0.21390624D-01 0.21390624D-01
0.21390624D-01-0.84794799D-01 0.84794799D-01 0.84794799D-01-0.11881916D+01
-0.11881916D+01-0.11881916D+01 0.44109885D+00-0.44109885D+00-0.44109885D+00
0.83953038D-01-0.14829832D+02-0.13831582D+02-0.35221387D+00-0.17934054D-01
0.17934054D-01-0.17934054D-01-0.18619439D+01 0.18619439D+01-0.18619439D+01
-0.21358938D+01 0.21358938D+01-0.21358938D+01 0.21390624D-01 0.21390624D-01
0.21390624D-01 0.84794799D-01-0.84794799D-01 0.84794799D-01-0.11881916D+01
-0.11881916D+01-0.11881916D+01-0.44109885D+00 0.44109885D+00-0.44109885D+00
0.83953038D-01-0.14829832D+02-0.13831582D+02-0.35221387D+00 0.17934054D-01
-0.17934054D-01-0.17934054D-01 0.18619439D+01-0.18619439D+01-0.18619439D+01
0.21358938D+01-0.21358938D+01-0.21358938D+01 0.21390624D-01 0.21390624D-01
0.21390624D-01 0.84794799D-01 0.84794799D-01-0.84794799D-01-0.11881916D+01
-0.11881916D+01-0.11881916D+01-0.44109885D+00-0.44109885D+00 0.44109885D+00
80 Alpha MO OE= 0.18884926D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.54266431D-01 0.00000000D+00 0.00000000D+00-0.51029370D+01
0.00000000D+00 0.00000000D+00 0.20731185D+02 0.00000000D+00 0.00000000D+00
0.33925930D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.20294946D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.27463106D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24597877D+01 0.00000000D+00
0.00000000D+00-0.16856451D+00 0.00000000D+00 0.00000000D+00-0.66591791D-01
0.00000000D+00 0.00000000D+00-0.66591791D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.59362147D+01 0.00000000D+00 0.00000000D+00-0.43769446D+01
0.00000000D+00 0.00000000D+00-0.43769446D+01 0.00000000D+00 0.00000000D+00
-0.14938023D+00 0.41486704D+01-0.14197337D+02-0.45088359D+00-0.12598771D-01
-0.47127571D-01-0.12598771D-01-0.40997230D-01 0.58555491D+00-0.40997230D-01
0.21567697D+01 0.25431409D+01 0.21567697D+01-0.83816924D-01-0.53895721D-01
-0.83816924D-01 0.11481959D-01-0.21529701D-01 0.11481959D-01-0.27357019D+00
-0.11737928D+01-0.27357019D+00-0.49934916D+00-0.35238035D+00-0.49934916D+00
0.14938023D+00-0.41486704D+01 0.14197337D+02 0.45088359D+00-0.12598771D-01
-0.47127571D-01 0.12598771D-01-0.40997230D-01 0.58555491D+00 0.40997230D-01
0.21567697D+01 0.25431409D+01-0.21567697D+01 0.83816924D-01 0.53895721D-01
0.83816924D-01-0.11481959D-01-0.21529701D-01 0.11481959D-01 0.27357019D+00
0.11737928D+01 0.27357019D+00 0.49934916D+00-0.35238035D+00-0.49934916D+00
-0.14938023D+00 0.41486704D+01-0.14197337D+02-0.45088359D+00 0.12598771D-01
-0.47127571D-01 0.12598771D-01 0.40997230D-01 0.58555491D+00 0.40997230D-01
-0.21567697D+01 0.25431409D+01-0.21567697D+01-0.83816924D-01-0.53895721D-01
-0.83816924D-01-0.11481959D-01-0.21529701D-01-0.11481959D-01-0.27357019D+00
-0.11737928D+01-0.27357019D+00 0.49934916D+00-0.35238035D+00 0.49934916D+00
0.14938023D+00-0.41486704D+01 0.14197337D+02 0.45088359D+00 0.12598771D-01
-0.47127571D-01-0.12598771D-01 0.40997230D-01 0.58555491D+00-0.40997230D-01
-0.21567697D+01 0.25431409D+01 0.21567697D+01 0.83816924D-01 0.53895721D-01
0.83816924D-01 0.11481959D-01-0.21529701D-01-0.11481959D-01 0.27357019D+00
0.11737928D+01 0.27357019D+00-0.49934916D+00-0.35238035D+00 0.49934916D+00
81 Alpha MO OE= 0.18884926D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.54266431D-01 0.00000000D+00 0.00000000D+00
-0.51029370D+01 0.00000000D+00 0.00000000D+00 0.20731185D+02 0.00000000D+00
0.00000000D+00 0.33925930D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.20294946D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.27463106D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.24597877D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.16856451D+00 0.00000000D+00 0.00000000D+00
-0.66591791D-01 0.00000000D+00 0.00000000D+00-0.66591791D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.59362147D+01 0.00000000D+00 0.00000000D+00
-0.43769446D+01 0.00000000D+00 0.00000000D+00-0.43769446D+01 0.00000000D+00
-0.14938023D+00 0.41486704D+01-0.14197337D+02-0.45088359D+00-0.12598771D-01
-0.12598771D-01-0.47127571D-01-0.40997230D-01-0.40997230D-01 0.58555491D+00
0.21567697D+01 0.21567697D+01 0.25431409D+01-0.83816924D-01-0.83816924D-01
-0.53895721D-01-0.21529701D-01 0.11481959D-01 0.11481959D-01-0.27357019D+00
-0.27357019D+00-0.11737928D+01-0.35238035D+00-0.49934916D+00-0.49934916D+00
-0.14938023D+00 0.41486704D+01-0.14197337D+02-0.45088359D+00 0.12598771D-01
0.12598771D-01-0.47127571D-01 0.40997230D-01 0.40997230D-01 0.58555491D+00
-0.21567697D+01-0.21567697D+01 0.25431409D+01-0.83816924D-01-0.83816924D-01
-0.53895721D-01-0.21529701D-01-0.11481959D-01-0.11481959D-01-0.27357019D+00
-0.27357019D+00-0.11737928D+01-0.35238035D+00 0.49934916D+00 0.49934916D+00
0.14938023D+00-0.41486704D+01 0.14197337D+02 0.45088359D+00-0.12598771D-01
0.12598771D-01-0.47127571D-01-0.40997230D-01 0.40997230D-01 0.58555491D+00
0.21567697D+01-0.21567697D+01 0.25431409D+01 0.83816924D-01 0.83816924D-01
0.53895721D-01-0.21529701D-01-0.11481959D-01 0.11481959D-01 0.27357019D+00
0.27357019D+00 0.11737928D+01-0.35238035D+00 0.49934916D+00-0.49934916D+00
0.14938023D+00-0.41486704D+01 0.14197337D+02 0.45088359D+00 0.12598771D-01
-0.12598771D-01-0.47127571D-01 0.40997230D-01-0.40997230D-01 0.58555491D+00
-0.21567697D+01 0.21567697D+01 0.25431409D+01 0.83816924D-01 0.83816924D-01
0.53895721D-01-0.21529701D-01 0.11481959D-01-0.11481959D-01 0.27357019D+00
0.27357019D+00 0.11737928D+01-0.35238035D+00-0.49934916D+00 0.49934916D+00
82 Alpha MO OE= 0.18884926D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.54266431D-01 0.00000000D+00 0.00000000D+00-0.51029370D+01 0.00000000D+00
0.00000000D+00 0.20731185D+02 0.00000000D+00 0.00000000D+00 0.33925930D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.20294946D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.27463106D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24597877D+01
-0.16856451D+00 0.00000000D+00 0.00000000D+00-0.66591791D-01 0.00000000D+00
0.00000000D+00-0.66591791D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.59362147D+01 0.00000000D+00 0.00000000D+00-0.43769446D+01 0.00000000D+00
0.00000000D+00-0.43769446D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.14938023D+00 0.41486704D+01-0.14197337D+02-0.45088359D+00-0.47127571D-01
-0.12598771D-01-0.12598771D-01 0.58555491D+00-0.40997230D-01-0.40997230D-01
0.25431409D+01 0.21567697D+01 0.21567697D+01-0.53895721D-01-0.83816924D-01
-0.83816924D-01 0.11481959D-01 0.11481959D-01-0.21529701D-01-0.11737928D+01
-0.27357019D+00-0.27357019D+00-0.49934916D+00-0.49934916D+00-0.35238035D+00
0.14938023D+00-0.41486704D+01 0.14197337D+02 0.45088359D+00-0.47127571D-01
-0.12598771D-01 0.12598771D-01 0.58555491D+00-0.40997230D-01 0.40997230D-01
0.25431409D+01 0.21567697D+01-0.21567697D+01 0.53895721D-01 0.83816924D-01
0.83816924D-01-0.11481959D-01 0.11481959D-01-0.21529701D-01 0.11737928D+01
0.27357019D+00 0.27357019D+00 0.49934916D+00-0.49934916D+00-0.35238035D+00
0.14938023D+00-0.41486704D+01 0.14197337D+02 0.45088359D+00-0.47127571D-01
0.12598771D-01-0.12598771D-01 0.58555491D+00 0.40997230D-01-0.40997230D-01
0.25431409D+01-0.21567697D+01 0.21567697D+01 0.53895721D-01 0.83816924D-01
0.83816924D-01 0.11481959D-01-0.11481959D-01-0.21529701D-01 0.11737928D+01
0.27357019D+00 0.27357019D+00-0.49934916D+00 0.49934916D+00-0.35238035D+00
-0.14938023D+00 0.41486704D+01-0.14197337D+02-0.45088359D+00-0.47127571D-01
0.12598771D-01 0.12598771D-01 0.58555491D+00 0.40997230D-01 0.40997230D-01
0.25431409D+01-0.21567697D+01-0.21567697D+01-0.53895721D-01-0.83816924D-01
-0.83816924D-01-0.11481959D-01-0.11481959D-01-0.21529701D-01-0.11737928D+01
-0.27357019D+00-0.27357019D+00 0.49934916D+00 0.49934916D+00-0.35238035D+00
83 Alpha MO OE= 0.19279535D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.74280959D-13 0.00000000D+00 0.00000000D+00 0.31109754D-11 0.00000000D+00
0.00000000D+00-0.10173971D-10 0.00000000D+00 0.00000000D+00-0.24520918D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.69531930D-14 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24455588D-11 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.13534864D-11
0.47220874D-13 0.00000000D+00 0.00000000D+00-0.39099775D-01 0.00000000D+00
0.00000000D+00 0.39099775D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.19572620D-11 0.00000000D+00 0.00000000D+00 0.33155728D+01 0.00000000D+00
0.00000000D+00-0.33155728D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.11047843D-12-0.30409327D-11 0.71104043D-11 0.23177708D-12 0.11297098D-13
0.51462573D-01-0.51462573D-01 0.40112654D-12-0.19175896D+01 0.19175896D+01
-0.11983909D-11-0.62263353D+00 0.62263353D+00 0.28704998D-13 0.25427565D-01
-0.25427565D-01 0.22650230D-02-0.22650230D-02-0.37991181D-15 0.51905791D-12
0.85162675D+00-0.85162675D+00-0.17739757D-01 0.17739757D-01 0.25705369D-12
-0.11047843D-12 0.30409327D-11-0.71104043D-11-0.23177708D-12 0.11297098D-13
0.51462573D-01 0.51462573D-01 0.40112654D-12-0.19175896D+01-0.19175896D+01
-0.11983909D-11-0.62263353D+00-0.62263353D+00-0.28704998D-13-0.25427565D-01
0.25427565D-01-0.22650230D-02-0.22650230D-02-0.37991181D-15-0.51905791D-12
-0.85162675D+00 0.85162675D+00 0.17739757D-01 0.17739757D-01 0.25705369D-12
-0.11047843D-12 0.30409327D-11-0.71104043D-11-0.23177708D-12 0.11297098D-13
-0.51462573D-01-0.51462573D-01 0.40112654D-12 0.19175896D+01 0.19175896D+01
-0.11983909D-11 0.62263353D+00 0.62263353D+00-0.28704998D-13-0.25427565D-01
0.25427565D-01 0.22650230D-02 0.22650230D-02-0.37991181D-15-0.51905791D-12
-0.85162675D+00 0.85162675D+00-0.17739757D-01-0.17739757D-01 0.25705369D-12
0.11047843D-12-0.30409327D-11 0.71104043D-11 0.23177708D-12 0.11297098D-13
-0.51462573D-01 0.51462573D-01 0.40112654D-12 0.19175896D+01-0.19175896D+01
-0.11983909D-11 0.62263353D+00-0.62263353D+00 0.28704998D-13 0.25427565D-01
-0.25427565D-01-0.22650230D-02 0.22650230D-02-0.37991181D-15 0.51905791D-12
0.85162675D+00-0.85162675D+00 0.17739757D-01-0.17739757D-01 0.25705369D-12
84 Alpha MO OE= 0.19279535D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.37755873D-12 0.00000000D+00 0.00000000D+00 0.22192124D-10
0.00000000D+00 0.00000000D+00-0.87145035D-10 0.00000000D+00 0.00000000D+00
-0.33173790D-11 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.13036217D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.12051004D-10 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.11568933D-10 0.00000000D+00
0.00000000D+00 0.30442642D-12 0.00000000D+00 0.00000000D+00-0.39099775D-01
0.00000000D+00 0.00000000D+00 0.39099775D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.20532911D-10 0.00000000D+00 0.00000000D+00 0.33155728D+01
0.00000000D+00 0.00000000D+00-0.33155728D+01 0.00000000D+00 0.00000000D+00
0.44721078D-12-0.17000617D-10 0.62530454D-10 0.29123009D-11 0.51462573D-01
0.13249901D-12-0.51462573D-01-0.19175896D+01 0.25451466D-12 0.19175896D+01
-0.62263353D+00-0.10122884D-10 0.62263353D+00 0.25427565D-01 0.10790798D-12
-0.25427565D-01 0.22650230D-02 0.22685573D-13-0.22650230D-02 0.85162675D+00
0.33815609D-11-0.85162675D+00-0.17739757D-01 0.11060011D-11 0.17739757D-01
-0.44721078D-12 0.17000617D-10-0.62530454D-10-0.29123009D-11 0.51462573D-01
0.13249901D-12 0.51462573D-01-0.19175896D+01 0.25451466D-12-0.19175896D+01
-0.62263353D+00-0.10122884D-10-0.62263353D+00-0.25427565D-01-0.10790798D-12
0.25427565D-01-0.22650230D-02 0.22685573D-13-0.22650230D-02-0.85162675D+00
-0.33815609D-11 0.85162675D+00 0.17739757D-01 0.11060011D-11 0.17739757D-01
0.44721078D-12-0.17000617D-10 0.62530454D-10 0.29123009D-11-0.51462573D-01
0.13249901D-12 0.51462573D-01 0.19175896D+01 0.25451466D-12-0.19175896D+01
0.62263353D+00-0.10122884D-10-0.62263353D+00 0.25427565D-01 0.10790798D-12
-0.25427565D-01-0.22650230D-02 0.22685573D-13 0.22650230D-02 0.85162675D+00
0.33815609D-11-0.85162675D+00 0.17739757D-01 0.11060011D-11-0.17739757D-01
-0.44721078D-12 0.17000617D-10-0.62530454D-10-0.29123009D-11-0.51462573D-01
0.13249901D-12-0.51462573D-01 0.19175896D+01 0.25451466D-12 0.19175896D+01
0.62263353D+00-0.10122884D-10 0.62263353D+00-0.25427565D-01-0.10790798D-12
0.25427565D-01 0.22650230D-02 0.22685573D-13 0.22650230D-02-0.85162675D+00
-0.33815609D-11 0.85162675D+00-0.17739757D-01 0.11060011D-11-0.17739757D-01
85 Alpha MO OE= 0.19279535D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.19895493D-12 0.00000000D+00 0.00000000D+00
-0.37509939D-11 0.00000000D+00 0.00000000D+00 0.19566590D-10 0.00000000D+00
0.00000000D+00 0.96862275D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.14836321D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.88575301D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.24729395D-11 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.81817058D-13 0.00000000D+00 0.00000000D+00
-0.39099775D-01 0.00000000D+00 0.00000000D+00 0.39099775D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.47478629D-11 0.00000000D+00 0.00000000D+00
0.33155728D+01 0.00000000D+00 0.00000000D+00-0.33155728D+01 0.00000000D+00
-0.73926211D-13 0.18520657D-11-0.13650480D-10-0.80195239D-12 0.51462573D-01
-0.51462573D-01-0.30077817D-13-0.19175896D+01 0.19175896D+01 0.67708477D-12
-0.62263353D+00 0.62263353D+00 0.20541361D-11 0.25427565D-01-0.25427565D-01
-0.28532020D-13-0.94890296D-14 0.22650230D-02-0.22650230D-02 0.85162675D+00
-0.85162675D+00-0.76536833D-12-0.20965638D-12-0.17739757D-01 0.17739757D-01
-0.73926211D-13 0.18520657D-11-0.13650480D-10-0.80195239D-12-0.51462573D-01
0.51462573D-01-0.30077817D-13 0.19175896D+01-0.19175896D+01 0.67708477D-12
0.62263353D+00-0.62263353D+00 0.20541361D-11 0.25427565D-01-0.25427565D-01
-0.28532020D-13-0.94890296D-14-0.22650230D-02 0.22650230D-02 0.85162675D+00
-0.85162675D+00-0.76536833D-12-0.20965638D-12 0.17739757D-01-0.17739757D-01
0.73926211D-13-0.18520657D-11 0.13650480D-10 0.80195239D-12 0.51462573D-01
0.51462573D-01-0.30077817D-13-0.19175896D+01-0.19175896D+01 0.67708477D-12
-0.62263353D+00-0.62263353D+00 0.20541361D-11-0.25427565D-01 0.25427565D-01
0.28532020D-13-0.94890296D-14-0.22650230D-02-0.22650230D-02-0.85162675D+00
0.85162675D+00 0.76536833D-12-0.20965638D-12 0.17739757D-01 0.17739757D-01
0.73926211D-13-0.18520657D-11 0.13650480D-10 0.80195239D-12-0.51462573D-01
-0.51462573D-01-0.30077817D-13 0.19175896D+01 0.19175896D+01 0.67708477D-12
0.62263353D+00 0.62263353D+00 0.20541361D-11-0.25427565D-01 0.25427565D-01
0.28532020D-13-0.94890296D-14 0.22650230D-02 0.22650230D-02-0.85162675D+00
0.85162675D+00 0.76536833D-12-0.20965638D-12-0.17739757D-01-0.17739757D-01
86 Alpha MO OE= 0.20457122D+01
-0.68743268D-01 0.11274671D+01-0.26725092D+01 0.11866765D+02-0.36275384D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.50234875D+00-0.50234875D+00-0.50234875D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.79897640D+01-0.79897640D+01
-0.79897640D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.95876921D+01
0.95876921D+01 0.95876921D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.83518358D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.61015724D+01
-0.95880454D-01 0.19056506D+02-0.18072187D+02 0.94494039D-01 0.25245643D-01
0.25245643D-01 0.25245643D-01-0.16047994D+01-0.16047994D+01-0.16047994D+01
0.22115115D+01 0.22115115D+01 0.22115115D+01-0.24628252D-01-0.24628252D-01
-0.24628252D-01 0.25641814D-01 0.25641814D-01 0.25641814D-01 0.20101705D+01
0.20101705D+01 0.20101705D+01-0.10557443D+01-0.10557443D+01-0.10557443D+01
-0.95880454D-01 0.19056506D+02-0.18072187D+02 0.94494039D-01-0.25245643D-01
-0.25245643D-01 0.25245643D-01 0.16047994D+01 0.16047994D+01-0.16047994D+01
-0.22115115D+01-0.22115115D+01 0.22115115D+01-0.24628252D-01-0.24628252D-01
-0.24628252D-01 0.25641814D-01-0.25641814D-01-0.25641814D-01 0.20101705D+01
0.20101705D+01 0.20101705D+01-0.10557443D+01 0.10557443D+01 0.10557443D+01
-0.95880454D-01 0.19056506D+02-0.18072187D+02 0.94494039D-01-0.25245643D-01
0.25245643D-01-0.25245643D-01 0.16047994D+01-0.16047994D+01 0.16047994D+01
-0.22115115D+01 0.22115115D+01-0.22115115D+01-0.24628252D-01-0.24628252D-01
-0.24628252D-01-0.25641814D-01 0.25641814D-01-0.25641814D-01 0.20101705D+01
0.20101705D+01 0.20101705D+01 0.10557443D+01-0.10557443D+01 0.10557443D+01
-0.95880454D-01 0.19056506D+02-0.18072187D+02 0.94494039D-01 0.25245643D-01
-0.25245643D-01-0.25245643D-01-0.16047994D+01 0.16047994D+01 0.16047994D+01
0.22115115D+01-0.22115115D+01-0.22115115D+01-0.24628252D-01-0.24628252D-01
-0.24628252D-01-0.25641814D-01-0.25641814D-01 0.25641814D-01 0.20101705D+01
0.20101705D+01 0.20101705D+01 0.10557443D+01 0.10557443D+01-0.10557443D+01
87 Alpha MO OE= 0.21854295D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.11213224D+00 0.00000000D+00 0.00000000D+00 0.61239451D+01
0.00000000D+00 0.00000000D+00-0.12290956D+02 0.00000000D+00 0.00000000D+00
0.60958521D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.52180250D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.22991709D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.19330643D+01 0.00000000D+00
0.00000000D+00 0.36719762D-01 0.00000000D+00 0.00000000D+00 0.50741267D-01
0.00000000D+00 0.00000000D+00 0.50741267D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.81832804D+01 0.00000000D+00 0.00000000D+00 0.63148172D+00
0.00000000D+00 0.00000000D+00 0.63148172D+00 0.00000000D+00 0.00000000D+00
-0.16690781D+00-0.16454500D+01 0.14079797D+02-0.94848723D-01-0.60857106D-01
0.39707736D-01-0.60857106D-01 0.15860892D+01-0.15024395D+01 0.15860892D+01
-0.14140608D+01-0.28872207D+01-0.14140608D+01-0.70398321D-01-0.50905279D-01
-0.70398321D-01-0.14174498D-01-0.41862540D-01-0.14174498D-01-0.13538445D+01
-0.54467652D+00-0.13538445D+01 0.57424403D+00-0.76016758D+00 0.57424403D+00
0.16690781D+00 0.16454500D+01-0.14079797D+02 0.94848723D-01-0.60857106D-01
0.39707736D-01 0.60857106D-01 0.15860892D+01-0.15024395D+01-0.15860892D+01
-0.14140608D+01-0.28872207D+01 0.14140608D+01 0.70398321D-01 0.50905279D-01
0.70398321D-01 0.14174498D-01-0.41862540D-01-0.14174498D-01 0.13538445D+01
0.54467652D+00 0.13538445D+01-0.57424403D+00-0.76016758D+00 0.57424403D+00
-0.16690781D+00-0.16454500D+01 0.14079797D+02-0.94848723D-01 0.60857106D-01
0.39707736D-01 0.60857106D-01-0.15860892D+01-0.15024395D+01-0.15860892D+01
0.14140608D+01-0.28872207D+01 0.14140608D+01-0.70398321D-01-0.50905279D-01
-0.70398321D-01 0.14174498D-01-0.41862540D-01 0.14174498D-01-0.13538445D+01
-0.54467652D+00-0.13538445D+01-0.57424403D+00-0.76016758D+00-0.57424403D+00
0.16690781D+00 0.16454500D+01-0.14079797D+02 0.94848723D-01 0.60857106D-01
0.39707736D-01-0.60857106D-01-0.15860892D+01-0.15024395D+01 0.15860892D+01
0.14140608D+01-0.28872207D+01-0.14140608D+01 0.70398321D-01 0.50905279D-01
0.70398321D-01-0.14174498D-01-0.41862540D-01 0.14174498D-01 0.13538445D+01
0.54467652D+00 0.13538445D+01 0.57424403D+00-0.76016758D+00-0.57424403D+00
88 Alpha MO OE= 0.21854295D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.11213224D+00 0.00000000D+00 0.00000000D+00 0.61239451D+01 0.00000000D+00
0.00000000D+00-0.12290956D+02 0.00000000D+00 0.00000000D+00 0.60958521D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.52180250D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.22991709D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.19330643D+01
0.36719762D-01 0.00000000D+00 0.00000000D+00 0.50741267D-01 0.00000000D+00
0.00000000D+00 0.50741267D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.81832804D+01 0.00000000D+00 0.00000000D+00 0.63148172D+00 0.00000000D+00
0.00000000D+00 0.63148172D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.16690781D+00-0.16454500D+01 0.14079797D+02-0.94848723D-01 0.39707736D-01
-0.60857106D-01-0.60857106D-01-0.15024395D+01 0.15860892D+01 0.15860892D+01
-0.28872207D+01-0.14140608D+01-0.14140608D+01-0.50905279D-01-0.70398321D-01
-0.70398321D-01-0.14174498D-01-0.14174498D-01-0.41862540D-01-0.54467652D+00
-0.13538445D+01-0.13538445D+01 0.57424403D+00 0.57424403D+00-0.76016758D+00
0.16690781D+00 0.16454500D+01-0.14079797D+02 0.94848723D-01 0.39707736D-01
-0.60857106D-01 0.60857106D-01-0.15024395D+01 0.15860892D+01-0.15860892D+01
-0.28872207D+01-0.14140608D+01 0.14140608D+01 0.50905279D-01 0.70398321D-01
0.70398321D-01 0.14174498D-01-0.14174498D-01-0.41862540D-01 0.54467652D+00
0.13538445D+01 0.13538445D+01-0.57424403D+00 0.57424403D+00-0.76016758D+00
0.16690781D+00 0.16454500D+01-0.14079797D+02 0.94848723D-01 0.39707736D-01
0.60857106D-01-0.60857106D-01-0.15024395D+01-0.15860892D+01 0.15860892D+01
-0.28872207D+01 0.14140608D+01-0.14140608D+01 0.50905279D-01 0.70398321D-01
0.70398321D-01-0.14174498D-01 0.14174498D-01-0.41862540D-01 0.54467652D+00
0.13538445D+01 0.13538445D+01 0.57424403D+00-0.57424403D+00-0.76016758D+00
-0.16690781D+00-0.16454500D+01 0.14079797D+02-0.94848723D-01 0.39707736D-01
0.60857106D-01 0.60857106D-01-0.15024395D+01-0.15860892D+01-0.15860892D+01
-0.28872207D+01 0.14140608D+01 0.14140608D+01-0.50905279D-01-0.70398321D-01
-0.70398321D-01 0.14174498D-01 0.14174498D-01-0.41862540D-01-0.54467652D+00
-0.13538445D+01-0.13538445D+01-0.57424403D+00-0.57424403D+00-0.76016758D+00
89 Alpha MO OE= 0.21854295D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.11213224D+00 0.00000000D+00 0.00000000D+00
0.61239451D+01 0.00000000D+00 0.00000000D+00-0.12290956D+02 0.00000000D+00
0.00000000D+00 0.60958521D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.52180250D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.22991709D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.19330643D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.36719762D-01 0.00000000D+00 0.00000000D+00
0.50741267D-01 0.00000000D+00 0.00000000D+00 0.50741267D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.81832804D+01 0.00000000D+00 0.00000000D+00
0.63148172D+00 0.00000000D+00 0.00000000D+00 0.63148172D+00 0.00000000D+00
-0.16690781D+00-0.16454500D+01 0.14079797D+02-0.94848723D-01-0.60857106D-01
-0.60857106D-01 0.39707736D-01 0.15860892D+01 0.15860892D+01-0.15024395D+01
-0.14140608D+01-0.14140608D+01-0.28872207D+01-0.70398321D-01-0.70398321D-01
-0.50905279D-01-0.41862540D-01-0.14174498D-01-0.14174498D-01-0.13538445D+01
-0.13538445D+01-0.54467652D+00-0.76016758D+00 0.57424403D+00 0.57424403D+00
-0.16690781D+00-0.16454500D+01 0.14079797D+02-0.94848723D-01 0.60857106D-01
0.60857106D-01 0.39707736D-01-0.15860892D+01-0.15860892D+01-0.15024395D+01
0.14140608D+01 0.14140608D+01-0.28872207D+01-0.70398321D-01-0.70398321D-01
-0.50905279D-01-0.41862540D-01 0.14174498D-01 0.14174498D-01-0.13538445D+01
-0.13538445D+01-0.54467652D+00-0.76016758D+00-0.57424403D+00-0.57424403D+00
0.16690781D+00 0.16454500D+01-0.14079797D+02 0.94848723D-01-0.60857106D-01
0.60857106D-01 0.39707736D-01 0.15860892D+01-0.15860892D+01-0.15024395D+01
-0.14140608D+01 0.14140608D+01-0.28872207D+01 0.70398321D-01 0.70398321D-01
0.50905279D-01-0.41862540D-01 0.14174498D-01-0.14174498D-01 0.13538445D+01
0.13538445D+01 0.54467652D+00-0.76016758D+00-0.57424403D+00 0.57424403D+00
0.16690781D+00 0.16454500D+01-0.14079797D+02 0.94848723D-01 0.60857106D-01
-0.60857106D-01 0.39707736D-01-0.15860892D+01 0.15860892D+01-0.15024395D+01
0.14140608D+01-0.14140608D+01-0.28872207D+01 0.70398321D-01 0.70398321D-01
0.50905279D-01-0.41862540D-01-0.14174498D-01 0.14174498D-01 0.13538445D+01
0.13538445D+01 0.54467652D+00-0.76016758D+00 0.57424403D+00-0.57424403D+00
90 Alpha MO OE= 0.22404725D+01
-0.21432629D-12 0.16308605D-11-0.22580508D-11 0.23041609D-09-0.23090499D-10
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.13338926D-03 0.38533619D-02-0.37199726D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.16621816D+00 0.48017263D+01
-0.46355081D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.10281157D+00
0.29700306D+01-0.28672190D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.12287382D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.44981194D-11
-0.73844087D-12 0.21260469D-10-0.92226086D-10 0.82858664D-12-0.22377405D-02
0.64644065D-01-0.62406324D-01 0.61121877D-01-0.17656947D+01 0.17045728D+01
0.50877637D-01-0.14697581D+01 0.14188805D+01-0.11105072D-02 0.32080439D-01
-0.30969931D-01 0.10343061D-01-0.10713938D-01 0.37087725D-03-0.23457046D-01
0.67762943D+00-0.65417238D+00 0.59306528D+00-0.61433117D+00 0.21265893D-01
-0.73844087D-12 0.21260469D-10-0.92226086D-10 0.82858664D-12 0.22377405D-02
-0.64644065D-01-0.62406324D-01-0.61121877D-01 0.17656947D+01 0.17045728D+01
-0.50877637D-01 0.14697581D+01 0.14188805D+01-0.11105072D-02 0.32080439D-01
-0.30969931D-01 0.10343061D-01 0.10713938D-01-0.37087725D-03-0.23457046D-01
0.67762943D+00-0.65417238D+00 0.59306528D+00 0.61433117D+00-0.21265893D-01
-0.73844087D-12 0.21260469D-10-0.92226086D-10 0.82858664D-12 0.22377405D-02
0.64644065D-01 0.62406324D-01-0.61121877D-01-0.17656947D+01-0.17045728D+01
-0.50877637D-01-0.14697581D+01-0.14188805D+01-0.11105072D-02 0.32080439D-01
-0.30969931D-01-0.10343061D-01-0.10713938D-01-0.37087725D-03-0.23457046D-01
0.67762943D+00-0.65417238D+00-0.59306528D+00-0.61433117D+00-0.21265893D-01
-0.73844087D-12 0.21260469D-10-0.92226086D-10 0.82858664D-12-0.22377405D-02
-0.64644065D-01 0.62406324D-01 0.61121877D-01 0.17656947D+01-0.17045728D+01
0.50877637D-01 0.14697581D+01-0.14188805D+01-0.11105072D-02 0.32080439D-01
-0.30969931D-01-0.10343061D-01 0.10713938D-01 0.37087725D-03-0.23457046D-01
0.67762943D+00-0.65417238D+00-0.59306528D+00 0.61433117D+00 0.21265893D-01
91 Alpha MO OE= 0.22404725D+01
0.34607818D-12-0.28063966D-11 0.59377460D-11-0.62503023D-09 0.53763082D-10
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.43724667D-02-0.20707149D-02-0.23017519D-02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.54485898D+01-0.25803458D+01
-0.28682441D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.33701377D+01
-0.15960314D+01-0.17741063D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.94187442D-13
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.27627296D-11
0.83707390D-12-0.27427587D-10 0.22807387D-09-0.20164070D-11 0.73352576D-01
-0.34738348D-01-0.38614228D-01-0.20035599D+01 0.94884685D+00 0.10547130D+01
-0.16677563D+01 0.78981680D+00 0.87793945D+00 0.36402148D-01-0.17239347D-01
-0.19162801D-01 0.63998210D-02 0.57574428D-02-0.12157264D-01 0.76891613D+00
-0.36414367D+00-0.40477247D+00 0.36696214D+00 0.33012853D+00-0.69709067D+00
0.83707390D-12-0.27427587D-10 0.22807387D-09-0.20164070D-11-0.73352576D-01
0.34738348D-01-0.38614228D-01 0.20035599D+01-0.94884685D+00 0.10547130D+01
0.16677563D+01-0.78981680D+00 0.87793945D+00 0.36402148D-01-0.17239347D-01
-0.19162801D-01 0.63998210D-02-0.57574428D-02 0.12157264D-01 0.76891613D+00
-0.36414367D+00-0.40477247D+00 0.36696214D+00-0.33012853D+00 0.69709067D+00
0.83707390D-12-0.27427587D-10 0.22807387D-09-0.20164070D-11-0.73352576D-01
-0.34738348D-01 0.38614228D-01 0.20035599D+01 0.94884685D+00-0.10547130D+01
0.16677563D+01 0.78981680D+00-0.87793945D+00 0.36402148D-01-0.17239347D-01
-0.19162801D-01-0.63998210D-02 0.57574428D-02 0.12157264D-01 0.76891613D+00
-0.36414367D+00-0.40477247D+00-0.36696214D+00 0.33012853D+00 0.69709067D+00
0.83707390D-12-0.27427587D-10 0.22807387D-09-0.20164070D-11 0.73352576D-01
0.34738348D-01 0.38614228D-01-0.20035599D+01-0.94884685D+00-0.10547130D+01
-0.16677563D+01-0.78981680D+00-0.87793945D+00 0.36402148D-01-0.17239347D-01
-0.19162801D-01-0.63998210D-02-0.57574428D-02-0.12157264D-01 0.76891613D+00
-0.36414367D+00-0.40477247D+00-0.36696214D+00-0.33012853D+00-0.69709067D+00
92 Alpha MO OE= 0.23207565D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.39434591D+00 0.00000000D+00 0.00000000D+00-0.17701089D+02
0.00000000D+00 0.00000000D+00 0.27181672D+02 0.00000000D+00 0.00000000D+00
0.15962497D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.84144818D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.13879116D+02 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.19405670D+01 0.00000000D+00
0.00000000D+00-0.32120543D+00 0.00000000D+00 0.00000000D+00-0.45767172D+00
0.00000000D+00 0.00000000D+00-0.45767172D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.70849263D+01 0.00000000D+00 0.00000000D+00-0.79271458D+01
0.00000000D+00 0.00000000D+00-0.79271458D+01 0.00000000D+00 0.00000000D+00
0.92513701D-01 0.16240788D+02-0.12392623D+02-0.77964506D+00-0.18557899D-01
-0.72887419D-02-0.18557899D-01-0.28196763D+01-0.47190845D+01-0.28196763D+01
0.17021514D+01-0.11466544D-01 0.17021514D+01 0.55665645D-01 0.11061887D+00
0.55665645D-01 0.11708530D+00 0.62129516D-01 0.11708530D+00-0.19662946D+00
-0.99202792D-01-0.19662946D+00 0.60257107D+00-0.10109002D+00 0.60257107D+00
-0.92513701D-01-0.16240788D+02 0.12392623D+02 0.77964506D+00-0.18557899D-01
-0.72887419D-02 0.18557899D-01-0.28196763D+01-0.47190845D+01 0.28196763D+01
0.17021514D+01-0.11466544D-01-0.17021514D+01-0.55665645D-01-0.11061887D+00
-0.55665645D-01-0.11708530D+00 0.62129516D-01 0.11708530D+00 0.19662946D+00
0.99202792D-01 0.19662946D+00-0.60257107D+00-0.10109002D+00 0.60257107D+00
0.92513701D-01 0.16240788D+02-0.12392623D+02-0.77964506D+00 0.18557899D-01
-0.72887419D-02 0.18557899D-01 0.28196763D+01-0.47190845D+01 0.28196763D+01
-0.17021514D+01-0.11466544D-01-0.17021514D+01 0.55665645D-01 0.11061887D+00
0.55665645D-01-0.11708530D+00 0.62129516D-01-0.11708530D+00-0.19662946D+00
-0.99202792D-01-0.19662946D+00-0.60257107D+00-0.10109002D+00-0.60257107D+00
-0.92513701D-01-0.16240788D+02 0.12392623D+02 0.77964506D+00 0.18557899D-01
-0.72887419D-02-0.18557899D-01 0.28196763D+01-0.47190845D+01-0.28196763D+01
-0.17021514D+01-0.11466544D-01 0.17021514D+01-0.55665645D-01-0.11061887D+00
-0.55665645D-01 0.11708530D+00 0.62129516D-01-0.11708530D+00 0.19662946D+00
0.99202792D-01 0.19662946D+00 0.60257107D+00-0.10109002D+00-0.60257107D+00
93 Alpha MO OE= 0.23207565D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.39434591D+00 0.00000000D+00 0.00000000D+00
-0.17701089D+02 0.00000000D+00 0.00000000D+00 0.27181672D+02 0.00000000D+00
0.00000000D+00 0.15962497D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.84144818D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.13879116D+02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.19405670D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.32120543D+00 0.00000000D+00 0.00000000D+00
-0.45767172D+00 0.00000000D+00 0.00000000D+00-0.45767172D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.70849263D+01 0.00000000D+00 0.00000000D+00
-0.79271458D+01 0.00000000D+00 0.00000000D+00-0.79271458D+01 0.00000000D+00
0.92513701D-01 0.16240788D+02-0.12392623D+02-0.77964506D+00-0.18557899D-01
-0.18557899D-01-0.72887419D-02-0.28196763D+01-0.28196763D+01-0.47190845D+01
0.17021514D+01 0.17021514D+01-0.11466544D-01 0.55665645D-01 0.55665645D-01
0.11061887D+00 0.62129516D-01 0.11708530D+00 0.11708530D+00-0.19662946D+00
-0.19662946D+00-0.99202792D-01-0.10109002D+00 0.60257107D+00 0.60257107D+00
0.92513701D-01 0.16240788D+02-0.12392623D+02-0.77964506D+00 0.18557899D-01
0.18557899D-01-0.72887419D-02 0.28196763D+01 0.28196763D+01-0.47190845D+01
-0.17021514D+01-0.17021514D+01-0.11466544D-01 0.55665645D-01 0.55665645D-01
0.11061887D+00 0.62129516D-01-0.11708530D+00-0.11708530D+00-0.19662946D+00
-0.19662946D+00-0.99202792D-01-0.10109002D+00-0.60257107D+00-0.60257107D+00
-0.92513701D-01-0.16240788D+02 0.12392623D+02 0.77964506D+00-0.18557899D-01
0.18557899D-01-0.72887419D-02-0.28196763D+01 0.28196763D+01-0.47190845D+01
0.17021514D+01-0.17021514D+01-0.11466544D-01-0.55665645D-01-0.55665645D-01
-0.11061887D+00 0.62129516D-01-0.11708530D+00 0.11708530D+00 0.19662946D+00
0.19662946D+00 0.99202792D-01-0.10109002D+00-0.60257107D+00 0.60257107D+00
-0.92513701D-01-0.16240788D+02 0.12392623D+02 0.77964506D+00 0.18557899D-01
-0.18557899D-01-0.72887419D-02 0.28196763D+01-0.28196763D+01-0.47190845D+01
-0.17021514D+01 0.17021514D+01-0.11466544D-01-0.55665645D-01-0.55665645D-01
-0.11061887D+00 0.62129516D-01 0.11708530D+00-0.11708530D+00 0.19662946D+00
0.19662946D+00 0.99202792D-01-0.10109002D+00 0.60257107D+00-0.60257107D+00
94 Alpha MO OE= 0.23207565D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.39434591D+00 0.00000000D+00 0.00000000D+00-0.17701089D+02 0.00000000D+00
0.00000000D+00 0.27181672D+02 0.00000000D+00 0.00000000D+00 0.15962497D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.84144818D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.13879116D+02 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.19405670D+01
-0.32120543D+00 0.00000000D+00 0.00000000D+00-0.45767172D+00 0.00000000D+00
0.00000000D+00-0.45767172D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.70849263D+01 0.00000000D+00 0.00000000D+00-0.79271458D+01 0.00000000D+00
0.00000000D+00-0.79271458D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.92513701D-01 0.16240788D+02-0.12392623D+02-0.77964506D+00-0.72887419D-02
-0.18557899D-01-0.18557899D-01-0.47190845D+01-0.28196763D+01-0.28196763D+01
-0.11466544D-01 0.17021514D+01 0.17021514D+01 0.11061887D+00 0.55665645D-01
0.55665645D-01 0.11708530D+00 0.11708530D+00 0.62129516D-01-0.99202792D-01
-0.19662946D+00-0.19662946D+00 0.60257107D+00 0.60257107D+00-0.10109002D+00
-0.92513701D-01-0.16240788D+02 0.12392623D+02 0.77964506D+00-0.72887419D-02
-0.18557899D-01 0.18557899D-01-0.47190845D+01-0.28196763D+01 0.28196763D+01
-0.11466544D-01 0.17021514D+01-0.17021514D+01-0.11061887D+00-0.55665645D-01
-0.55665645D-01-0.11708530D+00 0.11708530D+00 0.62129516D-01 0.99202792D-01
0.19662946D+00 0.19662946D+00-0.60257107D+00 0.60257107D+00-0.10109002D+00
-0.92513701D-01-0.16240788D+02 0.12392623D+02 0.77964506D+00-0.72887419D-02
0.18557899D-01-0.18557899D-01-0.47190845D+01 0.28196763D+01-0.28196763D+01
-0.11466544D-01-0.17021514D+01 0.17021514D+01-0.11061887D+00-0.55665645D-01
-0.55665645D-01 0.11708530D+00-0.11708530D+00 0.62129516D-01 0.99202792D-01
0.19662946D+00 0.19662946D+00 0.60257107D+00-0.60257107D+00-0.10109002D+00
0.92513701D-01 0.16240788D+02-0.12392623D+02-0.77964506D+00-0.72887419D-02
0.18557899D-01 0.18557899D-01-0.47190845D+01 0.28196763D+01 0.28196763D+01
-0.11466544D-01-0.17021514D+01-0.17021514D+01 0.11061887D+00 0.55665645D-01
0.55665645D-01-0.11708530D+00-0.11708530D+00 0.62129516D-01-0.99202792D-01
-0.19662946D+00-0.19662946D+00-0.60257107D+00-0.60257107D+00-0.10109002D+00
95 Alpha MO OE= 0.27190844D+01
0.55296926D-01-0.45444146D+00-0.35117056D+01 0.55162300D+02 0.35263914D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.39832454D+00-0.39832454D+00-0.39832454D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.37362592D+01-0.37362592D+01
-0.37362592D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.61514108D+01
0.61514108D+01 0.61514108D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.84314054D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11279622D+00
0.63077186D+00 0.76782608D-04-0.19596181D+02-0.24097393D+00 0.11269519D+00
0.11269519D+00 0.11269519D+00-0.68121809D-01-0.68121809D-01-0.68121809D-01
0.18669830D+01 0.18669830D+01 0.18669830D+01 0.19167199D+00 0.19167199D+00
0.19167199D+00-0.12991710D+00-0.12991710D+00-0.12991710D+00 0.16281666D+01
0.16281666D+01 0.16281666D+01 0.13361970D+00 0.13361970D+00 0.13361970D+00
0.63077186D+00 0.76782608D-04-0.19596181D+02-0.24097393D+00-0.11269519D+00
-0.11269519D+00 0.11269519D+00 0.68121809D-01 0.68121809D-01-0.68121809D-01
-0.18669830D+01-0.18669830D+01 0.18669830D+01 0.19167199D+00 0.19167199D+00
0.19167199D+00-0.12991710D+00 0.12991710D+00 0.12991710D+00 0.16281666D+01
0.16281666D+01 0.16281666D+01 0.13361970D+00-0.13361970D+00-0.13361970D+00
0.63077186D+00 0.76782608D-04-0.19596181D+02-0.24097393D+00-0.11269519D+00
0.11269519D+00-0.11269519D+00 0.68121809D-01-0.68121809D-01 0.68121809D-01
-0.18669830D+01 0.18669830D+01-0.18669830D+01 0.19167199D+00 0.19167199D+00
0.19167199D+00 0.12991710D+00-0.12991710D+00 0.12991710D+00 0.16281666D+01
0.16281666D+01 0.16281666D+01-0.13361970D+00 0.13361970D+00-0.13361970D+00
0.63077186D+00 0.76782608D-04-0.19596181D+02-0.24097393D+00 0.11269519D+00
-0.11269519D+00-0.11269519D+00-0.68121809D-01 0.68121809D-01 0.68121809D-01
0.18669830D+01-0.18669830D+01-0.18669830D+01 0.19167199D+00 0.19167199D+00
0.19167199D+00 0.12991710D+00 0.12991710D+00-0.12991710D+00 0.16281666D+01
0.16281666D+01 0.16281666D+01-0.13361970D+00-0.13361970D+00 0.13361970D+00
96 Alpha MO OE= 0.34218974D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.53083579D+00 0.00000000D+00 0.00000000D+00
-0.34140062D+01 0.00000000D+00 0.00000000D+00 0.15990366D+02 0.00000000D+00
0.00000000D+00 0.75737377D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.11130981D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.10404455D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.16719819D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.66282843D+00 0.00000000D+00 0.00000000D+00
-0.52014007D+00 0.00000000D+00 0.00000000D+00-0.52014007D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.54159421D+01 0.00000000D+00 0.00000000D+00
-0.87685154D+00 0.00000000D+00 0.00000000D+00-0.87685154D+00 0.00000000D+00
-0.91114108D+00 0.28673979D+01-0.69995403D+01-0.54183859D+00-0.67005649D-01
-0.67005649D-01 0.27993361D-01-0.64790578D+00-0.64790578D+00-0.24982498D+00
0.10793431D+01 0.10793431D+01 0.41984501D+00-0.35999976D+00-0.35999976D+00
-0.26191617D+00-0.17860097D-01-0.68045368D-01-0.68045368D-01-0.92629573D+00
-0.92629573D+00-0.62719303D+00 0.39387640D+00-0.15465085D-01-0.15465085D-01
-0.91114108D+00 0.28673979D+01-0.69995403D+01-0.54183859D+00 0.67005649D-01
0.67005649D-01 0.27993361D-01 0.64790578D+00 0.64790578D+00-0.24982498D+00
-0.10793431D+01-0.10793431D+01 0.41984501D+00-0.35999976D+00-0.35999976D+00
-0.26191617D+00-0.17860097D-01 0.68045368D-01 0.68045368D-01-0.92629573D+00
-0.92629573D+00-0.62719303D+00 0.39387640D+00 0.15465085D-01 0.15465085D-01
0.91114108D+00-0.28673979D+01 0.69995403D+01 0.54183859D+00-0.67005649D-01
0.67005649D-01 0.27993361D-01-0.64790578D+00 0.64790578D+00-0.24982498D+00
0.10793431D+01-0.10793431D+01 0.41984501D+00 0.35999976D+00 0.35999976D+00
0.26191617D+00-0.17860097D-01 0.68045368D-01-0.68045368D-01 0.92629573D+00
0.92629573D+00 0.62719303D+00 0.39387640D+00 0.15465085D-01-0.15465085D-01
0.91114108D+00-0.28673979D+01 0.69995403D+01 0.54183859D+00 0.67005649D-01
-0.67005649D-01 0.27993361D-01 0.64790578D+00-0.64790578D+00-0.24982498D+00
-0.10793431D+01 0.10793431D+01 0.41984501D+00 0.35999976D+00 0.35999976D+00
0.26191617D+00-0.17860097D-01-0.68045368D-01 0.68045368D-01 0.92629573D+00
0.92629573D+00 0.62719303D+00 0.39387640D+00-0.15465085D-01 0.15465085D-01
97 Alpha MO OE= 0.34218974D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.53083579D+00 0.00000000D+00 0.00000000D+00-0.34140062D+01
0.00000000D+00 0.00000000D+00 0.15990366D+02 0.00000000D+00 0.00000000D+00
0.75737377D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.11130981D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.10404455D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16719819D+01 0.00000000D+00
0.00000000D+00 0.66282843D+00 0.00000000D+00 0.00000000D+00-0.52014007D+00
0.00000000D+00 0.00000000D+00-0.52014007D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.54159421D+01 0.00000000D+00 0.00000000D+00-0.87685154D+00
0.00000000D+00 0.00000000D+00-0.87685154D+00 0.00000000D+00 0.00000000D+00
-0.91114108D+00 0.28673979D+01-0.69995403D+01-0.54183859D+00-0.67005649D-01
0.27993361D-01-0.67005649D-01-0.64790578D+00-0.24982498D+00-0.64790578D+00
0.10793431D+01 0.41984501D+00 0.10793431D+01-0.35999976D+00-0.26191617D+00
-0.35999976D+00-0.68045368D-01-0.17860097D-01-0.68045368D-01-0.92629573D+00
-0.62719303D+00-0.92629573D+00-0.15465085D-01 0.39387640D+00-0.15465085D-01
0.91114108D+00-0.28673979D+01 0.69995403D+01 0.54183859D+00-0.67005649D-01
0.27993361D-01 0.67005649D-01-0.64790578D+00-0.24982498D+00 0.64790578D+00
0.10793431D+01 0.41984501D+00-0.10793431D+01 0.35999976D+00 0.26191617D+00
0.35999976D+00 0.68045368D-01-0.17860097D-01-0.68045368D-01 0.92629573D+00
0.62719303D+00 0.92629573D+00 0.15465085D-01 0.39387640D+00-0.15465085D-01
-0.91114108D+00 0.28673979D+01-0.69995403D+01-0.54183859D+00 0.67005649D-01
0.27993361D-01 0.67005649D-01 0.64790578D+00-0.24982498D+00 0.64790578D+00
-0.10793431D+01 0.41984501D+00-0.10793431D+01-0.35999976D+00-0.26191617D+00
-0.35999976D+00 0.68045368D-01-0.17860097D-01 0.68045368D-01-0.92629573D+00
-0.62719303D+00-0.92629573D+00 0.15465085D-01 0.39387640D+00 0.15465085D-01
0.91114108D+00-0.28673979D+01 0.69995403D+01 0.54183859D+00 0.67005649D-01
0.27993361D-01-0.67005649D-01 0.64790578D+00-0.24982498D+00-0.64790578D+00
-0.10793431D+01 0.41984501D+00 0.10793431D+01 0.35999976D+00 0.26191617D+00
0.35999976D+00-0.68045368D-01-0.17860097D-01 0.68045368D-01 0.92629573D+00
0.62719303D+00 0.92629573D+00-0.15465085D-01 0.39387640D+00 0.15465085D-01
98 Alpha MO OE= 0.34218974D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.53083579D+00 0.00000000D+00 0.00000000D+00-0.34140062D+01 0.00000000D+00
0.00000000D+00 0.15990366D+02 0.00000000D+00 0.00000000D+00 0.75737377D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.11130981D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.10404455D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16719819D+01
0.66282843D+00 0.00000000D+00 0.00000000D+00-0.52014007D+00 0.00000000D+00
0.00000000D+00-0.52014007D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.54159421D+01 0.00000000D+00 0.00000000D+00-0.87685154D+00 0.00000000D+00
0.00000000D+00-0.87685154D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.91114108D+00 0.28673979D+01-0.69995403D+01-0.54183859D+00 0.27993361D-01
-0.67005649D-01-0.67005649D-01-0.24982498D+00-0.64790578D+00-0.64790578D+00
0.41984501D+00 0.10793431D+01 0.10793431D+01-0.26191617D+00-0.35999976D+00
-0.35999976D+00-0.68045368D-01-0.68045368D-01-0.17860097D-01-0.62719303D+00
-0.92629573D+00-0.92629573D+00-0.15465085D-01-0.15465085D-01 0.39387640D+00
0.91114108D+00-0.28673979D+01 0.69995403D+01 0.54183859D+00 0.27993361D-01
-0.67005649D-01 0.67005649D-01-0.24982498D+00-0.64790578D+00 0.64790578D+00
0.41984501D+00 0.10793431D+01-0.10793431D+01 0.26191617D+00 0.35999976D+00
0.35999976D+00 0.68045368D-01-0.68045368D-01-0.17860097D-01 0.62719303D+00
0.92629573D+00 0.92629573D+00 0.15465085D-01-0.15465085D-01 0.39387640D+00
0.91114108D+00-0.28673979D+01 0.69995403D+01 0.54183859D+00 0.27993361D-01
0.67005649D-01-0.67005649D-01-0.24982498D+00 0.64790578D+00-0.64790578D+00
0.41984501D+00-0.10793431D+01 0.10793431D+01 0.26191617D+00 0.35999976D+00
0.35999976D+00-0.68045368D-01 0.68045368D-01-0.17860097D-01 0.62719303D+00
0.92629573D+00 0.92629573D+00-0.15465085D-01 0.15465085D-01 0.39387640D+00
-0.91114108D+00 0.28673979D+01-0.69995403D+01-0.54183859D+00 0.27993361D-01
0.67005649D-01 0.67005649D-01-0.24982498D+00 0.64790578D+00 0.64790578D+00
0.41984501D+00-0.10793431D+01-0.10793431D+01-0.26191617D+00-0.35999976D+00
-0.35999976D+00 0.68045368D-01 0.68045368D-01-0.17860097D-01-0.62719303D+00
-0.92629573D+00-0.92629573D+00 0.15465085D-01 0.15465085D-01 0.39387640D+00
99 Alpha MO OE= 0.34889677D+01
-0.86692040D-14-0.36687751D-13 0.19618011D-12-0.40343181D-11 0.24425109D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.44454800D+00-0.98806104D+00 0.54351304D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.13084798D+01 0.29082527D+01
-0.15997729D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.25812404D+00
-0.57371152D+00 0.31558748D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.15544690D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.99538058D-12
-0.17245107D-13-0.37676810D-11 0.52168309D-11-0.13301320D-12 0.89037337D-01
-0.19789612D+00 0.10885878D+00 0.28296846D+00-0.62893121D+00 0.34596275D+00
-0.73789621D-01 0.16400625D+00-0.90216628D-01-0.10263415D+00 0.22811667D+00
-0.12548252D+00 0.43229628D-02-0.78587831D-02 0.35358203D-02-0.20209806D-01
0.44918707D-01-0.24708902D-01 0.14052085D+00-0.25545510D+00 0.11493425D+00
-0.17245107D-13-0.37676810D-11 0.52168309D-11-0.13301320D-12-0.89037337D-01
0.19789612D+00 0.10885878D+00-0.28296846D+00 0.62893121D+00 0.34596275D+00
0.73789621D-01-0.16400625D+00-0.90216628D-01-0.10263415D+00 0.22811667D+00
-0.12548252D+00 0.43229628D-02 0.78587831D-02-0.35358203D-02-0.20209806D-01
0.44918707D-01-0.24708902D-01 0.14052085D+00 0.25545510D+00-0.11493425D+00
-0.17245107D-13-0.37676810D-11 0.52168309D-11-0.13301320D-12-0.89037337D-01
-0.19789612D+00-0.10885878D+00-0.28296846D+00-0.62893121D+00-0.34596275D+00
0.73789621D-01 0.16400625D+00 0.90216628D-01-0.10263415D+00 0.22811667D+00
-0.12548252D+00-0.43229628D-02-0.78587831D-02-0.35358203D-02-0.20209806D-01
0.44918707D-01-0.24708902D-01-0.14052085D+00-0.25545510D+00-0.11493425D+00
-0.17245107D-13-0.37676810D-11 0.52168309D-11-0.13301320D-12 0.89037337D-01
0.19789612D+00-0.10885878D+00 0.28296846D+00 0.62893121D+00-0.34596275D+00
-0.73789621D-01-0.16400625D+00 0.90216628D-01-0.10263415D+00 0.22811667D+00
-0.12548252D+00-0.43229628D-02 0.78587831D-02 0.35358203D-02-0.20209806D-01
0.44918707D-01-0.24708902D-01-0.14052085D+00 0.25545510D+00 0.11493425D+00
100 Alpha MO OE= 0.34889677D+01
0.10342300D-12 0.65554484D-12 0.12775486D-11-0.17835266D-09 0.11692056D-10
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.88425471D+00 0.57137494D-01 0.82711721D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.26027098D+01-0.16817814D+00
-0.24345316D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.51343702D+00
0.33176532D-01 0.48026049D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.10541576D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.17359768D-11
0.11172899D-12 0.20444929D-11 0.57247741D-10-0.42845665D-12-0.17710503D+00
0.11443917D-01 0.16566111D+00-0.56285529D+00 0.36369771D-01 0.52648552D+00
0.14677565D+00-0.94841368D-02-0.13729151D+00 0.20415059D+00-0.13191508D-01
-0.19095908D+00 0.65786773D-02 0.45445691D-03-0.70331342D-02 0.40199519D-01
-0.25975545D-02-0.37601964D-01 0.21384439D+00 0.14772432D-01-0.22861682D+00
0.11172899D-12 0.20444929D-11 0.57247741D-10-0.42845665D-12 0.17710503D+00
-0.11443917D-01 0.16566111D+00 0.56285529D+00-0.36369771D-01 0.52648552D+00
-0.14677565D+00 0.94841368D-02-0.13729151D+00 0.20415059D+00-0.13191508D-01
-0.19095908D+00 0.65786773D-02-0.45445691D-03 0.70331342D-02 0.40199519D-01
-0.25975545D-02-0.37601964D-01 0.21384439D+00-0.14772432D-01 0.22861682D+00
0.11172899D-12 0.20444929D-11 0.57247741D-10-0.42845665D-12 0.17710503D+00
0.11443917D-01-0.16566111D+00 0.56285529D+00 0.36369771D-01-0.52648552D+00
-0.14677565D+00-0.94841368D-02 0.13729151D+00 0.20415059D+00-0.13191508D-01
-0.19095908D+00-0.65786773D-02 0.45445691D-03 0.70331342D-02 0.40199519D-01
-0.25975545D-02-0.37601964D-01-0.21384439D+00 0.14772432D-01 0.22861682D+00
0.11172899D-12 0.20444929D-11 0.57247741D-10-0.42845665D-12-0.17710503D+00
-0.11443917D-01-0.16566111D+00-0.56285529D+00-0.36369771D-01-0.52648552D+00
0.14677565D+00 0.94841368D-02 0.13729151D+00 0.20415059D+00-0.13191508D-01
-0.19095908D+00-0.65786773D-02-0.45445691D-03-0.70331342D-02 0.40199519D-01
-0.25975545D-02-0.37601964D-01-0.21384439D+00-0.14772432D-01-0.22861682D+00
101 Alpha MO OE= 0.35763757D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.71311196D-13 0.00000000D+00 0.00000000D+00 0.19857558D-11
0.00000000D+00 0.00000000D+00-0.45165147D-11 0.00000000D+00 0.00000000D+00
-0.29630622D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.28346550D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.73610459D-12 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.67972168D-12 0.00000000D+00
0.00000000D+00-0.95426923D-13 0.00000000D+00 0.00000000D+00 0.84463506D+00
0.00000000D+00 0.00000000D+00-0.84463506D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.11112806D-11 0.00000000D+00 0.00000000D+00-0.30618057D+00
0.00000000D+00 0.00000000D+00 0.30618057D+00 0.00000000D+00 0.00000000D+00
0.68528659D-13-0.12650820D-11 0.33167288D-11 0.22110902D-12 0.12187848D+00
-0.60973796D-14-0.12187848D+00-0.40564385D+00 0.24068070D-12 0.40564385D+00
-0.25269594D+00-0.46644884D-12 0.25269594D+00-0.14119007D+00 0.13685750D-13
0.14119007D+00 0.92587960D-01-0.59760905D-14-0.92587960D-01 0.35995078D+00
0.83419013D-13-0.35995078D+00 0.22999866D+00-0.59658396D-13-0.22999866D+00
-0.68528659D-13 0.12650820D-11-0.33167288D-11-0.22110902D-12 0.12187848D+00
-0.60973796D-14 0.12187848D+00-0.40564385D+00 0.24068070D-12-0.40564385D+00
-0.25269594D+00-0.46644884D-12-0.25269594D+00 0.14119007D+00-0.13685750D-13
-0.14119007D+00-0.92587960D-01-0.59760905D-14-0.92587960D-01-0.35995078D+00
-0.83419013D-13 0.35995078D+00-0.22999866D+00-0.59658396D-13-0.22999866D+00
0.68528659D-13-0.12650820D-11 0.33167288D-11 0.22110902D-12-0.12187848D+00
-0.60973796D-14 0.12187848D+00 0.40564385D+00 0.24068070D-12-0.40564385D+00
0.25269594D+00-0.46644884D-12-0.25269594D+00-0.14119007D+00 0.13685750D-13
0.14119007D+00-0.92587960D-01-0.59760905D-14 0.92587960D-01 0.35995078D+00
0.83419013D-13-0.35995078D+00-0.22999866D+00-0.59658396D-13 0.22999866D+00
-0.68528659D-13 0.12650820D-11-0.33167288D-11-0.22110902D-12-0.12187848D+00
-0.60973796D-14-0.12187848D+00 0.40564385D+00 0.24068070D-12 0.40564385D+00
0.25269594D+00-0.46644884D-12 0.25269594D+00 0.14119007D+00-0.13685750D-13
-0.14119007D+00 0.92587960D-01-0.59760905D-14 0.92587960D-01-0.35995078D+00
-0.83419013D-13 0.35995078D+00 0.22999866D+00-0.59658396D-13 0.22999866D+00
102 Alpha MO OE= 0.35763757D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.22455328D-12 0.00000000D+00 0.00000000D+00-0.73593766D-12 0.00000000D+00
0.00000000D+00 0.10724943D-10 0.00000000D+00 0.00000000D+00 0.77472914D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.48065899D-13 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.68470123D-12 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.16628012D-11
0.42213304D-12 0.00000000D+00 0.00000000D+00 0.84463506D+00 0.00000000D+00
0.00000000D+00-0.84463506D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.23703739D-11 0.00000000D+00 0.00000000D+00-0.30618057D+00 0.00000000D+00
0.00000000D+00 0.30618057D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.11922790D-12-0.24689977D-12-0.82176799D-11-0.56686649D-12 0.47876697D-13
0.12187848D+00-0.12187848D+00 0.23762594D-12-0.40564385D+00 0.40564385D+00
0.11455889D-11-0.25269594D+00 0.25269594D+00-0.50998020D-13-0.14119007D+00
0.14119007D+00 0.92587960D-01-0.92587960D-01-0.58593469D-14-0.51704106D-13
0.35995078D+00-0.35995078D+00 0.22999866D+00-0.22999866D+00 0.63514688D-13
0.11922790D-12 0.24689977D-12 0.82176799D-11 0.56686649D-12 0.47876697D-13
0.12187848D+00 0.12187848D+00 0.23762594D-12-0.40564385D+00-0.40564385D+00
0.11455889D-11-0.25269594D+00-0.25269594D+00 0.50998020D-13 0.14119007D+00
-0.14119007D+00-0.92587960D-01-0.92587960D-01-0.58593469D-14 0.51704106D-13
-0.35995078D+00 0.35995078D+00-0.22999866D+00-0.22999866D+00 0.63514688D-13
0.11922790D-12 0.24689977D-12 0.82176799D-11 0.56686649D-12 0.47876697D-13
-0.12187848D+00-0.12187848D+00 0.23762594D-12 0.40564385D+00 0.40564385D+00
0.11455889D-11 0.25269594D+00 0.25269594D+00 0.50998020D-13 0.14119007D+00
-0.14119007D+00 0.92587960D-01 0.92587960D-01-0.58593469D-14 0.51704106D-13
-0.35995078D+00 0.35995078D+00 0.22999866D+00 0.22999866D+00 0.63514688D-13
-0.11922790D-12-0.24689977D-12-0.82176799D-11-0.56686649D-12 0.47876697D-13
-0.12187848D+00 0.12187848D+00 0.23762594D-12 0.40564385D+00-0.40564385D+00
0.11455889D-11 0.25269594D+00-0.25269594D+00-0.50998020D-13-0.14119007D+00
0.14119007D+00-0.92587960D-01 0.92587960D-01-0.58593469D-14-0.51704106D-13
0.35995078D+00-0.35995078D+00-0.22999866D+00 0.22999866D+00 0.63514688D-13
103 Alpha MO OE= 0.35763757D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.45664930D-13 0.00000000D+00 0.00000000D+00
-0.57728927D-12 0.00000000D+00 0.00000000D+00 0.91264288D-13 0.00000000D+00
0.00000000D+00 0.10125840D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.45486717D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.59646249D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.10844639D-12 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.43523111D-13 0.00000000D+00 0.00000000D+00
0.84463506D+00 0.00000000D+00 0.00000000D+00-0.84463506D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.45874512D-13 0.00000000D+00 0.00000000D+00
-0.30618057D+00 0.00000000D+00 0.00000000D+00 0.30618057D+00 0.00000000D+00
0.21208921D-14 0.60015955D-12 0.29759323D-12-0.46590310D-14 0.12187848D+00
-0.12187848D+00-0.14971473D-13-0.40564385D+00 0.40564385D+00-0.15740492D-12
-0.25269594D+00 0.25269594D+00-0.10654038D-12-0.14119007D+00 0.14119007D+00
0.34138957D-14 0.29025047D-14 0.92587960D-01-0.92587960D-01 0.35995078D+00
-0.35995078D+00-0.23092469D-13-0.90112045D-14 0.22999866D+00-0.22999866D+00
0.21208921D-14 0.60015955D-12 0.29759323D-12-0.46590310D-14-0.12187848D+00
0.12187848D+00-0.14971473D-13 0.40564385D+00-0.40564385D+00-0.15740492D-12
0.25269594D+00-0.25269594D+00-0.10654038D-12-0.14119007D+00 0.14119007D+00
0.34138957D-14 0.29025047D-14-0.92587960D-01 0.92587960D-01 0.35995078D+00
-0.35995078D+00-0.23092469D-13-0.90112045D-14-0.22999866D+00 0.22999866D+00
-0.21208921D-14-0.60015955D-12-0.29759323D-12 0.46590310D-14 0.12187848D+00
0.12187848D+00-0.14971473D-13-0.40564385D+00-0.40564385D+00-0.15740492D-12
-0.25269594D+00-0.25269594D+00-0.10654038D-12 0.14119007D+00-0.14119007D+00
-0.34138957D-14 0.29025047D-14-0.92587960D-01-0.92587960D-01-0.35995078D+00
0.35995078D+00 0.23092469D-13-0.90112045D-14-0.22999866D+00-0.22999866D+00
-0.21208921D-14-0.60015955D-12-0.29759323D-12 0.46590310D-14-0.12187848D+00
-0.12187848D+00-0.14971473D-13 0.40564385D+00 0.40564385D+00-0.15740492D-12
0.25269594D+00 0.25269594D+00-0.10654038D-12 0.14119007D+00-0.14119007D+00
-0.34138957D-14 0.29025047D-14 0.92587960D-01 0.92587960D-01-0.35995078D+00
0.35995078D+00 0.23092469D-13-0.90112045D-14 0.22999866D+00 0.22999866D+00
104 Alpha MO OE= 0.37055875D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.50059409D+00 0.00000000D+00 0.00000000D+00 0.10260005D+02
0.00000000D+00 0.00000000D+00-0.99391141D+01 0.00000000D+00 0.00000000D+00
-0.49558958D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.36069613D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.70599858D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.52060933D+00 0.00000000D+00
0.00000000D+00 0.97371091D+00 0.00000000D+00 0.00000000D+00 0.41193414D+00
0.00000000D+00 0.00000000D+00 0.41193414D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.34096689D+01 0.00000000D+00 0.00000000D+00 0.39759935D+01
0.00000000D+00 0.00000000D+00 0.39759935D+01 0.00000000D+00 0.00000000D+00
0.76926978D+00-0.97319259D+01 0.18984399D+01 0.59448817D-01 0.84595223D-01
0.20945972D+00 0.84595223D-01 0.16518848D+01 0.18399459D+01 0.16518848D+01
-0.39142337D+00 0.14582706D+00-0.39142337D+00 0.20033865D+00 0.20108654D+00
0.20033865D+00-0.11766339D+00 0.15353777D+00-0.11766339D+00 0.81986676D+00
0.12121625D+01 0.81986676D+00-0.19954957D+00-0.26999182D+00-0.19954957D+00
-0.76926978D+00 0.97319259D+01-0.18984399D+01-0.59448817D-01 0.84595223D-01
0.20945972D+00-0.84595223D-01 0.16518848D+01 0.18399459D+01-0.16518848D+01
-0.39142337D+00 0.14582706D+00 0.39142337D+00-0.20033865D+00-0.20108654D+00
-0.20033865D+00 0.11766339D+00 0.15353777D+00-0.11766339D+00-0.81986676D+00
-0.12121625D+01-0.81986676D+00 0.19954957D+00-0.26999182D+00-0.19954957D+00
0.76926978D+00-0.97319259D+01 0.18984399D+01 0.59448817D-01-0.84595223D-01
0.20945972D+00-0.84595223D-01-0.16518848D+01 0.18399459D+01-0.16518848D+01
0.39142337D+00 0.14582706D+00 0.39142337D+00 0.20033865D+00 0.20108654D+00
0.20033865D+00 0.11766339D+00 0.15353777D+00 0.11766339D+00 0.81986676D+00
0.12121625D+01 0.81986676D+00 0.19954957D+00-0.26999182D+00 0.19954957D+00
-0.76926978D+00 0.97319259D+01-0.18984399D+01-0.59448817D-01-0.84595223D-01
0.20945972D+00 0.84595223D-01-0.16518848D+01 0.18399459D+01 0.16518848D+01
0.39142337D+00 0.14582706D+00-0.39142337D+00-0.20033865D+00-0.20108654D+00
-0.20033865D+00-0.11766339D+00 0.15353777D+00 0.11766339D+00-0.81986676D+00
-0.12121625D+01-0.81986676D+00-0.19954957D+00-0.26999182D+00 0.19954957D+00
105 Alpha MO OE= 0.37055875D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.50059409D+00 0.00000000D+00 0.00000000D+00 0.10260005D+02 0.00000000D+00
0.00000000D+00-0.99391141D+01 0.00000000D+00 0.00000000D+00-0.49558958D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.36069613D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.70599858D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.52060933D+00
0.97371091D+00 0.00000000D+00 0.00000000D+00 0.41193414D+00 0.00000000D+00
0.00000000D+00 0.41193414D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.34096689D+01 0.00000000D+00 0.00000000D+00 0.39759935D+01 0.00000000D+00
0.00000000D+00 0.39759935D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.76926978D+00-0.97319259D+01 0.18984399D+01 0.59448817D-01 0.20945972D+00
0.84595223D-01 0.84595223D-01 0.18399459D+01 0.16518848D+01 0.16518848D+01
0.14582706D+00-0.39142337D+00-0.39142337D+00 0.20108654D+00 0.20033865D+00
0.20033865D+00-0.11766339D+00-0.11766339D+00 0.15353777D+00 0.12121625D+01
0.81986676D+00 0.81986676D+00-0.19954957D+00-0.19954957D+00-0.26999182D+00
-0.76926978D+00 0.97319259D+01-0.18984399D+01-0.59448817D-01 0.20945972D+00
0.84595223D-01-0.84595223D-01 0.18399459D+01 0.16518848D+01-0.16518848D+01
0.14582706D+00-0.39142337D+00 0.39142337D+00-0.20108654D+00-0.20033865D+00
-0.20033865D+00 0.11766339D+00-0.11766339D+00 0.15353777D+00-0.12121625D+01
-0.81986676D+00-0.81986676D+00 0.19954957D+00-0.19954957D+00-0.26999182D+00
-0.76926978D+00 0.97319259D+01-0.18984399D+01-0.59448817D-01 0.20945972D+00
-0.84595223D-01 0.84595223D-01 0.18399459D+01-0.16518848D+01 0.16518848D+01
0.14582706D+00 0.39142337D+00-0.39142337D+00-0.20108654D+00-0.20033865D+00
-0.20033865D+00-0.11766339D+00 0.11766339D+00 0.15353777D+00-0.12121625D+01
-0.81986676D+00-0.81986676D+00-0.19954957D+00 0.19954957D+00-0.26999182D+00
0.76926978D+00-0.97319259D+01 0.18984399D+01 0.59448817D-01 0.20945972D+00
-0.84595223D-01-0.84595223D-01 0.18399459D+01-0.16518848D+01-0.16518848D+01
0.14582706D+00 0.39142337D+00 0.39142337D+00 0.20108654D+00 0.20033865D+00
0.20033865D+00 0.11766339D+00 0.11766339D+00 0.15353777D+00 0.12121625D+01
0.81986676D+00 0.81986676D+00 0.19954957D+00 0.19954957D+00-0.26999182D+00
106 Alpha MO OE= 0.37055875D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.50059409D+00 0.00000000D+00 0.00000000D+00
0.10260005D+02 0.00000000D+00 0.00000000D+00-0.99391141D+01 0.00000000D+00
0.00000000D+00-0.49558958D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.36069613D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.70599858D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.52060933D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.97371091D+00 0.00000000D+00 0.00000000D+00
0.41193414D+00 0.00000000D+00 0.00000000D+00 0.41193414D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.34096689D+01 0.00000000D+00 0.00000000D+00
0.39759935D+01 0.00000000D+00 0.00000000D+00 0.39759935D+01 0.00000000D+00
0.76926978D+00-0.97319259D+01 0.18984399D+01 0.59448817D-01 0.84595223D-01
0.84595223D-01 0.20945972D+00 0.16518848D+01 0.16518848D+01 0.18399459D+01
-0.39142337D+00-0.39142337D+00 0.14582706D+00 0.20033865D+00 0.20033865D+00
0.20108654D+00 0.15353777D+00-0.11766339D+00-0.11766339D+00 0.81986676D+00
0.81986676D+00 0.12121625D+01-0.26999182D+00-0.19954957D+00-0.19954957D+00
0.76926978D+00-0.97319259D+01 0.18984399D+01 0.59448817D-01-0.84595223D-01
-0.84595223D-01 0.20945972D+00-0.16518848D+01-0.16518848D+01 0.18399459D+01
0.39142337D+00 0.39142337D+00 0.14582706D+00 0.20033865D+00 0.20033865D+00
0.20108654D+00 0.15353777D+00 0.11766339D+00 0.11766339D+00 0.81986676D+00
0.81986676D+00 0.12121625D+01-0.26999182D+00 0.19954957D+00 0.19954957D+00
-0.76926978D+00 0.97319259D+01-0.18984399D+01-0.59448817D-01 0.84595223D-01
-0.84595223D-01 0.20945972D+00 0.16518848D+01-0.16518848D+01 0.18399459D+01
-0.39142337D+00 0.39142337D+00 0.14582706D+00-0.20033865D+00-0.20033865D+00
-0.20108654D+00 0.15353777D+00 0.11766339D+00-0.11766339D+00-0.81986676D+00
-0.81986676D+00-0.12121625D+01-0.26999182D+00 0.19954957D+00-0.19954957D+00
-0.76926978D+00 0.97319259D+01-0.18984399D+01-0.59448817D-01-0.84595223D-01
0.84595223D-01 0.20945972D+00-0.16518848D+01 0.16518848D+01 0.18399459D+01
0.39142337D+00-0.39142337D+00 0.14582706D+00-0.20033865D+00-0.20033865D+00
-0.20108654D+00 0.15353777D+00-0.11766339D+00 0.11766339D+00-0.81986676D+00
-0.81986676D+00-0.12121625D+01-0.26999182D+00-0.19954957D+00 0.19954957D+00
107 Alpha MO OE= 0.38992651D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.58222714D+00 0.00000000D+00 0.00000000D+00 0.40296171D+01
0.00000000D+00 0.00000000D+00-0.61376622D+00 0.00000000D+00 0.00000000D+00
-0.11971746D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.10394299D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.12628581D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.59480601D+00 0.00000000D+00
0.00000000D+00 0.40584928D+00 0.00000000D+00 0.00000000D+00 0.22328006D+00
0.00000000D+00 0.00000000D+00 0.22328006D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.91130965D+00 0.00000000D+00 0.00000000D+00-0.59480844D+00
0.00000000D+00 0.00000000D+00-0.59480844D+00 0.00000000D+00 0.00000000D+00
0.20914046D+00-0.12048537D+01-0.61140167D+00-0.11973553D+00-0.13762828D+00
-0.19339534D+00-0.13762828D+00 0.13442644D+01 0.52842228D+00 0.13442644D+01
0.46848722D+00 0.33663525D+00 0.46848722D+00-0.43405777D-01 0.94988666D-01
-0.43405777D-01 0.14284981D-01-0.69014574D-02 0.14284981D-01-0.10621414D+00
0.10787522D+00-0.10621414D+00-0.31831336D+00-0.61992202D+00-0.31831336D+00
-0.20914046D+00 0.12048537D+01 0.61140167D+00 0.11973553D+00-0.13762828D+00
-0.19339534D+00 0.13762828D+00 0.13442644D+01 0.52842228D+00-0.13442644D+01
0.46848722D+00 0.33663525D+00-0.46848722D+00 0.43405777D-01-0.94988666D-01
0.43405777D-01-0.14284981D-01-0.69014574D-02 0.14284981D-01 0.10621414D+00
-0.10787522D+00 0.10621414D+00 0.31831336D+00-0.61992202D+00-0.31831336D+00
0.20914046D+00-0.12048537D+01-0.61140167D+00-0.11973553D+00 0.13762828D+00
-0.19339534D+00 0.13762828D+00-0.13442644D+01 0.52842228D+00-0.13442644D+01
-0.46848722D+00 0.33663525D+00-0.46848722D+00-0.43405777D-01 0.94988666D-01
-0.43405777D-01-0.14284981D-01-0.69014574D-02-0.14284981D-01-0.10621414D+00
0.10787522D+00-0.10621414D+00 0.31831336D+00-0.61992202D+00 0.31831336D+00
-0.20914046D+00 0.12048537D+01 0.61140167D+00 0.11973553D+00 0.13762828D+00
-0.19339534D+00-0.13762828D+00-0.13442644D+01 0.52842228D+00 0.13442644D+01
-0.46848722D+00 0.33663525D+00 0.46848722D+00 0.43405777D-01-0.94988666D-01
0.43405777D-01 0.14284981D-01-0.69014574D-02-0.14284981D-01 0.10621414D+00
-0.10787522D+00 0.10621414D+00-0.31831336D+00-0.61992202D+00 0.31831336D+00
108 Alpha MO OE= 0.38992651D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.58222714D+00 0.00000000D+00 0.00000000D+00
0.40296171D+01 0.00000000D+00 0.00000000D+00-0.61376622D+00 0.00000000D+00
0.00000000D+00-0.11971746D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.10394299D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.12628581D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.59480601D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.40584928D+00 0.00000000D+00 0.00000000D+00
0.22328006D+00 0.00000000D+00 0.00000000D+00 0.22328006D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.91130965D+00 0.00000000D+00 0.00000000D+00
-0.59480844D+00 0.00000000D+00 0.00000000D+00-0.59480844D+00 0.00000000D+00
0.20914046D+00-0.12048537D+01-0.61140167D+00-0.11973553D+00-0.13762828D+00
-0.13762828D+00-0.19339534D+00 0.13442644D+01 0.13442644D+01 0.52842228D+00
0.46848722D+00 0.46848722D+00 0.33663525D+00-0.43405777D-01-0.43405777D-01
0.94988666D-01-0.69014574D-02 0.14284981D-01 0.14284981D-01-0.10621414D+00
-0.10621414D+00 0.10787522D+00-0.61992202D+00-0.31831336D+00-0.31831336D+00
0.20914046D+00-0.12048537D+01-0.61140167D+00-0.11973553D+00 0.13762828D+00
0.13762828D+00-0.19339534D+00-0.13442644D+01-0.13442644D+01 0.52842228D+00
-0.46848722D+00-0.46848722D+00 0.33663525D+00-0.43405777D-01-0.43405777D-01
0.94988666D-01-0.69014574D-02-0.14284981D-01-0.14284981D-01-0.10621414D+00
-0.10621414D+00 0.10787522D+00-0.61992202D+00 0.31831336D+00 0.31831336D+00
-0.20914046D+00 0.12048537D+01 0.61140167D+00 0.11973553D+00-0.13762828D+00
0.13762828D+00-0.19339534D+00 0.13442644D+01-0.13442644D+01 0.52842228D+00
0.46848722D+00-0.46848722D+00 0.33663525D+00 0.43405777D-01 0.43405777D-01
-0.94988666D-01-0.69014574D-02-0.14284981D-01 0.14284981D-01 0.10621414D+00
0.10621414D+00-0.10787522D+00-0.61992202D+00 0.31831336D+00-0.31831336D+00
-0.20914046D+00 0.12048537D+01 0.61140167D+00 0.11973553D+00 0.13762828D+00
-0.13762828D+00-0.19339534D+00-0.13442644D+01 0.13442644D+01 0.52842228D+00
-0.46848722D+00 0.46848722D+00 0.33663525D+00 0.43405777D-01 0.43405777D-01
-0.94988666D-01-0.69014574D-02 0.14284981D-01-0.14284981D-01 0.10621414D+00
0.10621414D+00-0.10787522D+00-0.61992202D+00-0.31831336D+00 0.31831336D+00
109 Alpha MO OE= 0.38992651D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.58222714D+00 0.00000000D+00 0.00000000D+00 0.40296171D+01 0.00000000D+00
0.00000000D+00-0.61376622D+00 0.00000000D+00 0.00000000D+00-0.11971746D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.10394299D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.12628581D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.59480601D+00
0.40584928D+00 0.00000000D+00 0.00000000D+00 0.22328006D+00 0.00000000D+00
0.00000000D+00 0.22328006D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.91130965D+00 0.00000000D+00 0.00000000D+00-0.59480844D+00 0.00000000D+00
0.00000000D+00-0.59480844D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.20914046D+00-0.12048537D+01-0.61140167D+00-0.11973553D+00-0.19339534D+00
-0.13762828D+00-0.13762828D+00 0.52842228D+00 0.13442644D+01 0.13442644D+01
0.33663525D+00 0.46848722D+00 0.46848722D+00 0.94988666D-01-0.43405777D-01
-0.43405777D-01 0.14284981D-01 0.14284981D-01-0.69014574D-02 0.10787522D+00
-0.10621414D+00-0.10621414D+00-0.31831336D+00-0.31831336D+00-0.61992202D+00
-0.20914046D+00 0.12048537D+01 0.61140167D+00 0.11973553D+00-0.19339534D+00
-0.13762828D+00 0.13762828D+00 0.52842228D+00 0.13442644D+01-0.13442644D+01
0.33663525D+00 0.46848722D+00-0.46848722D+00-0.94988666D-01 0.43405777D-01
0.43405777D-01-0.14284981D-01 0.14284981D-01-0.69014574D-02-0.10787522D+00
0.10621414D+00 0.10621414D+00 0.31831336D+00-0.31831336D+00-0.61992202D+00
-0.20914046D+00 0.12048537D+01 0.61140167D+00 0.11973553D+00-0.19339534D+00
0.13762828D+00-0.13762828D+00 0.52842228D+00-0.13442644D+01 0.13442644D+01
0.33663525D+00-0.46848722D+00 0.46848722D+00-0.94988666D-01 0.43405777D-01
0.43405777D-01 0.14284981D-01-0.14284981D-01-0.69014574D-02-0.10787522D+00
0.10621414D+00 0.10621414D+00-0.31831336D+00 0.31831336D+00-0.61992202D+00
0.20914046D+00-0.12048537D+01-0.61140167D+00-0.11973553D+00-0.19339534D+00
0.13762828D+00 0.13762828D+00 0.52842228D+00-0.13442644D+01-0.13442644D+01
0.33663525D+00-0.46848722D+00-0.46848722D+00 0.94988666D-01-0.43405777D-01
-0.43405777D-01-0.14284981D-01-0.14284981D-01-0.69014574D-02 0.10787522D+00
-0.10621414D+00-0.10621414D+00 0.31831336D+00 0.31831336D+00-0.61992202D+00
110 Alpha MO OE= 0.39302719D+01
0.32060824D+00 0.47280080D+00-0.74839491D+01 0.25502093D+02 0.30122584D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.12747923D+01-0.12747923D+01-0.12747923D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.88496635D+01-0.88496635D+01
-0.88496635D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.14830672D+01
-0.14830672D+01-0.14830672D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.62232346D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.86491891D+00
-0.37319515D+00 0.40854731D+01-0.18721047D+01-0.19339882D+00-0.26758110D-02
-0.26758110D-02-0.26758110D-02-0.72712847D+00-0.72712847D+00-0.72712847D+00
0.52167849D+00 0.52167849D+00 0.52167849D+00-0.91938306D-01-0.91938306D-01
-0.91938306D-01-0.52837940D-01-0.52837940D-01-0.52837940D-01-0.52476591D+00
-0.52476591D+00-0.52476591D+00-0.28967064D-01-0.28967064D-01-0.28967064D-01
-0.37319515D+00 0.40854731D+01-0.18721047D+01-0.19339882D+00 0.26758110D-02
0.26758110D-02-0.26758110D-02 0.72712847D+00 0.72712847D+00-0.72712847D+00
-0.52167849D+00-0.52167849D+00 0.52167849D+00-0.91938306D-01-0.91938306D-01
-0.91938306D-01-0.52837940D-01 0.52837940D-01 0.52837940D-01-0.52476591D+00
-0.52476591D+00-0.52476591D+00-0.28967064D-01 0.28967064D-01 0.28967064D-01
-0.37319515D+00 0.40854731D+01-0.18721047D+01-0.19339882D+00 0.26758110D-02
-0.26758110D-02 0.26758110D-02 0.72712847D+00-0.72712847D+00 0.72712847D+00
-0.52167849D+00 0.52167849D+00-0.52167849D+00-0.91938306D-01-0.91938306D-01
-0.91938306D-01 0.52837940D-01-0.52837940D-01 0.52837940D-01-0.52476591D+00
-0.52476591D+00-0.52476591D+00 0.28967064D-01-0.28967064D-01 0.28967064D-01
-0.37319515D+00 0.40854731D+01-0.18721047D+01-0.19339882D+00-0.26758110D-02
0.26758110D-02 0.26758110D-02-0.72712847D+00 0.72712847D+00 0.72712847D+00
0.52167849D+00-0.52167849D+00-0.52167849D+00-0.91938306D-01-0.91938306D-01
-0.91938306D-01 0.52837940D-01 0.52837940D-01-0.52837940D-01-0.52476591D+00
-0.52476591D+00-0.52476591D+00 0.28967064D-01 0.28967064D-01-0.28967064D-01
111 Alpha MO OE= 0.40682783D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.22868779D-12 0.00000000D+00 0.00000000D+00
0.69922834D-11 0.00000000D+00 0.00000000D+00-0.59043098D-11 0.00000000D+00
0.00000000D+00-0.43937776D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.13006234D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.57501715D-11 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.19765754D-12 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.38645944D-13 0.00000000D+00 0.00000000D+00
-0.13424868D+00 0.00000000D+00 0.00000000D+00 0.13424868D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.24728058D-11 0.00000000D+00 0.00000000D+00
-0.23710432D+00 0.00000000D+00 0.00000000D+00 0.23710432D+00 0.00000000D+00
-0.18767762D-12-0.63015549D-11 0.28465651D-11 0.21479918D-12-0.11198972D+00
0.11198972D+00 0.20254869D-13 0.34867116D+00-0.34867116D+00 0.18060209D-11
0.34842001D+00-0.34842001D+00 0.60932116D-13-0.92488638D-01 0.92488638D-01
-0.16820687D-12-0.19116111D-12 0.37301942D+00-0.37301942D+00-0.11819113D+00
0.11819113D+00-0.25461864D-12-0.23854980D-14-0.31272222D+00 0.31272222D+00
-0.18767762D-12-0.63015549D-11 0.28465651D-11 0.21479918D-12 0.11198972D+00
-0.11198972D+00 0.20254869D-13-0.34867116D+00 0.34867116D+00 0.18060209D-11
-0.34842001D+00 0.34842001D+00 0.60932116D-13-0.92488638D-01 0.92488638D-01
-0.16820687D-12-0.19116111D-12-0.37301942D+00 0.37301942D+00-0.11819113D+00
0.11819113D+00-0.25461864D-12-0.23854980D-14 0.31272222D+00-0.31272222D+00
0.18767762D-12 0.63015549D-11-0.28465651D-11-0.21479918D-12-0.11198972D+00
-0.11198972D+00 0.20254869D-13 0.34867116D+00 0.34867116D+00 0.18060209D-11
0.34842001D+00 0.34842001D+00 0.60932116D-13 0.92488638D-01-0.92488638D-01
0.16820687D-12-0.19116111D-12-0.37301942D+00-0.37301942D+00 0.11819113D+00
-0.11819113D+00 0.25461864D-12-0.23854980D-14 0.31272222D+00 0.31272222D+00
0.18767762D-12 0.63015549D-11-0.28465651D-11-0.21479918D-12 0.11198972D+00
0.11198972D+00 0.20254869D-13-0.34867116D+00-0.34867116D+00 0.18060209D-11
-0.34842001D+00-0.34842001D+00 0.60932116D-13 0.92488638D-01-0.92488638D-01
0.16820687D-12-0.19116111D-12 0.37301942D+00 0.37301942D+00 0.11819113D+00
-0.11819113D+00 0.25461864D-12-0.23854980D-14-0.31272222D+00-0.31272222D+00
112 Alpha MO OE= 0.40682783D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.10048665D-12 0.00000000D+00 0.00000000D+00-0.45712917D-11
0.00000000D+00 0.00000000D+00 0.75961985D-11 0.00000000D+00 0.00000000D+00
0.52828513D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.15347480D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.34305401D-11 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.78331952D-12 0.00000000D+00
0.00000000D+00 0.16047255D-12 0.00000000D+00 0.00000000D+00-0.13424868D+00
0.00000000D+00 0.00000000D+00 0.13424868D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.20700998D-11 0.00000000D+00 0.00000000D+00-0.23710432D+00
0.00000000D+00 0.00000000D+00 0.23710432D+00 0.00000000D+00 0.00000000D+00
0.93613194D-13 0.38270297D-11-0.53303746D-11-0.35034224D-12-0.11198972D+00
-0.12994059D-13 0.11198972D+00 0.34867116D+00-0.99758703D-12-0.34867116D+00
0.34842001D+00 0.59578283D-12-0.34842001D+00-0.92488638D-01 0.69443337D-13
0.92488638D-01 0.37301942D+00 0.85743796D-13-0.37301942D+00-0.11819113D+00
0.90212613D-13 0.11819113D+00-0.31272222D+00-0.30051288D-13 0.31272222D+00
-0.93613194D-13-0.38270297D-11 0.53303746D-11 0.35034224D-12-0.11198972D+00
-0.12994059D-13-0.11198972D+00 0.34867116D+00-0.99758703D-12 0.34867116D+00
0.34842001D+00 0.59578283D-12 0.34842001D+00 0.92488638D-01-0.69443337D-13
-0.92488638D-01-0.37301942D+00 0.85743796D-13-0.37301942D+00 0.11819113D+00
-0.90212613D-13-0.11819113D+00 0.31272222D+00-0.30051288D-13 0.31272222D+00
0.93613194D-13 0.38270297D-11-0.53303746D-11-0.35034224D-12 0.11198972D+00
-0.12994059D-13-0.11198972D+00-0.34867116D+00-0.99758703D-12 0.34867116D+00
-0.34842001D+00 0.59578283D-12 0.34842001D+00-0.92488638D-01 0.69443337D-13
0.92488638D-01-0.37301942D+00 0.85743796D-13 0.37301942D+00-0.11819113D+00
0.90212613D-13 0.11819113D+00 0.31272222D+00-0.30051288D-13-0.31272222D+00
-0.93613194D-13-0.38270297D-11 0.53303746D-11 0.35034224D-12 0.11198972D+00
-0.12994059D-13 0.11198972D+00-0.34867116D+00-0.99758703D-12-0.34867116D+00
-0.34842001D+00 0.59578283D-12-0.34842001D+00 0.92488638D-01-0.69443337D-13
-0.92488638D-01 0.37301942D+00 0.85743796D-13 0.37301942D+00 0.11819113D+00
-0.90212613D-13-0.11819113D+00-0.31272222D+00-0.30051288D-13-0.31272222D+00
113 Alpha MO OE= 0.40682783D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.17833915D-13 0.00000000D+00 0.00000000D+00 0.59472845D-12 0.00000000D+00
0.00000000D+00 0.34833492D-12 0.00000000D+00 0.00000000D+00 0.15742302D-14
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.30408910D-13 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.73916057D-12 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14346877D-12
0.42244843D-13 0.00000000D+00 0.00000000D+00-0.13424868D+00 0.00000000D+00
0.00000000D+00 0.13424868D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.10770162D-12 0.00000000D+00 0.00000000D+00-0.23710432D+00 0.00000000D+00
0.00000000D+00 0.23710432D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.28288135D-13-0.70519340D-12-0.52464823D-12-0.51433957D-14 0.11249196D-13
-0.11198972D+00 0.11198972D+00 0.21964419D-12 0.34867116D+00-0.34867116D+00
0.13732638D-12 0.34842001D+00-0.34842001D+00-0.38171456D-13-0.92488638D-01
0.92488638D-01 0.37301942D+00-0.37301942D+00-0.24749734D-13-0.38861865D-13
-0.11819113D+00 0.11819113D+00-0.31272222D+00 0.31272222D+00 0.10686825D-13
0.28288135D-13 0.70519340D-12 0.52464823D-12 0.51433957D-14 0.11249196D-13
-0.11198972D+00-0.11198972D+00 0.21964419D-12 0.34867116D+00 0.34867116D+00
0.13732638D-12 0.34842001D+00 0.34842001D+00 0.38171456D-13 0.92488638D-01
-0.92488638D-01-0.37301942D+00-0.37301942D+00-0.24749734D-13 0.38861865D-13
0.11819113D+00-0.11819113D+00 0.31272222D+00 0.31272222D+00 0.10686825D-13
0.28288135D-13 0.70519340D-12 0.52464823D-12 0.51433957D-14 0.11249196D-13
0.11198972D+00 0.11198972D+00 0.21964419D-12-0.34867116D+00-0.34867116D+00
0.13732638D-12-0.34842001D+00-0.34842001D+00 0.38171456D-13 0.92488638D-01
-0.92488638D-01 0.37301942D+00 0.37301942D+00-0.24749734D-13 0.38861865D-13
0.11819113D+00-0.11819113D+00-0.31272222D+00-0.31272222D+00 0.10686825D-13
-0.28288135D-13-0.70519340D-12-0.52464823D-12-0.51433957D-14 0.11249196D-13
0.11198972D+00-0.11198972D+00 0.21964419D-12-0.34867116D+00 0.34867116D+00
0.13732638D-12-0.34842001D+00 0.34842001D+00-0.38171456D-13-0.92488638D-01
0.92488638D-01-0.37301942D+00 0.37301942D+00-0.24749734D-13-0.38861865D-13
-0.11819113D+00 0.11819113D+00 0.31272222D+00-0.31272222D+00 0.10686825D-13
114 Alpha MO OE= 0.41171819D+01
0.10325180D-12-0.33578853D-12-0.36487656D-11 0.41856701D-10-0.38071348D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.48924164D-01 0.38842251D+00-0.33949834D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12882486D+00-0.10227763D+01
0.89395143D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.26554587D+00
0.21082423D+01-0.18426964D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.45280152D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.14576802D-11
-0.10159033D-11 0.47424707D-11-0.91387965D-11 0.14985781D-12-0.15428718D-01
0.12249287D+00-0.10706415D+00-0.20928329D-01 0.16615581D+00-0.14522748D+00
0.90772852D-01-0.72067085D+00 0.62989800D+00-0.48230880D-01 0.38291834D+00
-0.33468746D+00-0.22900939D+00 0.26201130D+00-0.33001907D-01 0.44987134D-01
-0.35716534D+00 0.31217820D+00 0.83579757D-01-0.95624204D-01 0.12044447D-01
-0.10159033D-11 0.47424707D-11-0.91387965D-11 0.14985781D-12 0.15428718D-01
-0.12249287D+00-0.10706415D+00 0.20928329D-01-0.16615581D+00-0.14522748D+00
-0.90772852D-01 0.72067085D+00 0.62989800D+00-0.48230880D-01 0.38291834D+00
-0.33468746D+00-0.22900939D+00-0.26201130D+00 0.33001907D-01 0.44987134D-01
-0.35716534D+00 0.31217820D+00 0.83579757D-01 0.95624204D-01-0.12044447D-01
-0.10159033D-11 0.47424707D-11-0.91387965D-11 0.14985781D-12 0.15428718D-01
0.12249287D+00 0.10706415D+00 0.20928329D-01 0.16615581D+00 0.14522748D+00
-0.90772852D-01-0.72067085D+00-0.62989800D+00-0.48230880D-01 0.38291834D+00
-0.33468746D+00 0.22900939D+00 0.26201130D+00 0.33001907D-01 0.44987134D-01
-0.35716534D+00 0.31217820D+00-0.83579757D-01-0.95624204D-01-0.12044447D-01
-0.10159033D-11 0.47424707D-11-0.91387965D-11 0.14985781D-12-0.15428718D-01
-0.12249287D+00 0.10706415D+00-0.20928329D-01-0.16615581D+00 0.14522748D+00
0.90772852D-01 0.72067085D+00-0.62989800D+00-0.48230880D-01 0.38291834D+00
-0.33468746D+00 0.22900939D+00-0.26201130D+00-0.33001907D-01 0.44987134D-01
-0.35716534D+00 0.31217820D+00-0.83579757D-01 0.95624204D-01 0.12044447D-01
115 Alpha MO OE= 0.41171819D+01
0.15651890D-12 0.20046268D-12-0.36971409D-11 0.35833650D-10 0.17565799D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.42026530D+00-0.16776308D+00-0.25250222D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.11066233D+01 0.44174603D+00
0.66487723D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.22810756D+01
-0.91056831D+00-0.13705072D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.12912244D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.76143816D-12
-0.11932665D-12-0.17269591D-11-0.52150813D-11-0.13884192D-12 0.13253481D+00
-0.52905744D-01-0.79629067D-01 0.17977722D+00-0.71764147D-01-0.10801308D+00
-0.77975129D+00 0.31126405D+00 0.46848724D+00 0.41430990D+00-0.16538578D+00
-0.24892412D+00-0.17032595D+00-0.11316497D+00 0.28349092D+00-0.38644567D+00
0.15426283D+00 0.23218284D+00 0.62162524D-01 0.41300931D-01-0.10346346D+00
-0.11932665D-12-0.17269591D-11-0.52150813D-11-0.13884192D-12-0.13253481D+00
0.52905744D-01-0.79629067D-01-0.17977722D+00 0.71764147D-01-0.10801308D+00
0.77975129D+00-0.31126405D+00 0.46848724D+00 0.41430990D+00-0.16538578D+00
-0.24892412D+00-0.17032595D+00 0.11316497D+00-0.28349092D+00-0.38644567D+00
0.15426283D+00 0.23218284D+00 0.62162524D-01-0.41300931D-01 0.10346346D+00
-0.11932665D-12-0.17269591D-11-0.52150813D-11-0.13884192D-12-0.13253481D+00
-0.52905744D-01 0.79629067D-01-0.17977722D+00-0.71764147D-01 0.10801308D+00
0.77975129D+00 0.31126405D+00-0.46848724D+00 0.41430990D+00-0.16538578D+00
-0.24892412D+00 0.17032595D+00-0.11316497D+00-0.28349092D+00-0.38644567D+00
0.15426283D+00 0.23218284D+00-0.62162524D-01 0.41300931D-01 0.10346346D+00
-0.11932665D-12-0.17269591D-11-0.52150813D-11-0.13884192D-12 0.13253481D+00
0.52905744D-01 0.79629067D-01 0.17977722D+00 0.71764147D-01 0.10801308D+00
-0.77975129D+00-0.31126405D+00-0.46848724D+00 0.41430990D+00-0.16538578D+00
-0.24892412D+00 0.17032595D+00 0.11316497D+00 0.28349092D+00-0.38644567D+00
0.15426283D+00 0.23218284D+00-0.62162524D-01-0.41300931D-01-0.10346346D+00
116 Alpha MO OE= 0.41272001D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.42080392D+00 0.00000000D+00 0.00000000D+00 0.14007700D+02
0.00000000D+00 0.00000000D+00-0.11024009D+02 0.00000000D+00 0.00000000D+00
-0.73983637D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.26944665D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.11897783D+02 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.22778864D+00 0.00000000D+00
0.00000000D+00 0.24393110D+00 0.00000000D+00 0.00000000D+00 0.14543827D+01
0.00000000D+00 0.00000000D+00 0.14543827D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.50189977D+01 0.00000000D+00 0.00000000D+00 0.43767730D+01
0.00000000D+00 0.00000000D+00 0.43767730D+01 0.00000000D+00 0.00000000D+00
-0.34226181D+00-0.13132670D+02 0.46705467D+01 0.31729257D+00 0.97242008D-02
0.47644415D-01 0.97242008D-02 0.26813116D+01 0.37446319D+01 0.26813116D+01
-0.68766381D+00 0.29852520D+00-0.68766381D+00-0.19474300D+00-0.33524450D+00
-0.19474300D+00-0.16708931D+00-0.35484220D+00-0.16708931D+00-0.46231566D-01
-0.46733283D+00-0.46231566D-01-0.26720204D+00-0.32521458D-01-0.26720204D+00
0.34226181D+00 0.13132670D+02-0.46705467D+01-0.31729257D+00 0.97242008D-02
0.47644415D-01-0.97242008D-02 0.26813116D+01 0.37446319D+01-0.26813116D+01
-0.68766381D+00 0.29852520D+00 0.68766381D+00 0.19474300D+00 0.33524450D+00
0.19474300D+00 0.16708931D+00-0.35484220D+00-0.16708931D+00 0.46231566D-01
0.46733283D+00 0.46231566D-01 0.26720204D+00-0.32521458D-01-0.26720204D+00
-0.34226181D+00-0.13132670D+02 0.46705467D+01 0.31729257D+00-0.97242008D-02
0.47644415D-01-0.97242008D-02-0.26813116D+01 0.37446319D+01-0.26813116D+01
0.68766381D+00 0.29852520D+00 0.68766381D+00-0.19474300D+00-0.33524450D+00
-0.19474300D+00 0.16708931D+00-0.35484220D+00 0.16708931D+00-0.46231566D-01
-0.46733283D+00-0.46231566D-01 0.26720204D+00-0.32521458D-01 0.26720204D+00
0.34226181D+00 0.13132670D+02-0.46705467D+01-0.31729257D+00-0.97242008D-02
0.47644415D-01 0.97242008D-02-0.26813116D+01 0.37446319D+01 0.26813116D+01
0.68766381D+00 0.29852520D+00-0.68766381D+00 0.19474300D+00 0.33524450D+00
0.19474300D+00-0.16708931D+00-0.35484220D+00 0.16708931D+00 0.46231566D-01
0.46733283D+00 0.46231566D-01-0.26720204D+00-0.32521458D-01 0.26720204D+00
117 Alpha MO OE= 0.41272001D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.42080392D+00 0.00000000D+00 0.00000000D+00 0.14007700D+02 0.00000000D+00
0.00000000D+00-0.11024009D+02 0.00000000D+00 0.00000000D+00-0.73983637D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.26944665D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11897783D+02 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.22778864D+00
0.24393110D+00 0.00000000D+00 0.00000000D+00 0.14543827D+01 0.00000000D+00
0.00000000D+00 0.14543827D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.50189977D+01 0.00000000D+00 0.00000000D+00 0.43767730D+01 0.00000000D+00
0.00000000D+00 0.43767730D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.34226181D+00-0.13132670D+02 0.46705467D+01 0.31729257D+00 0.47644415D-01
0.97242008D-02 0.97242008D-02 0.37446319D+01 0.26813116D+01 0.26813116D+01
0.29852520D+00-0.68766381D+00-0.68766381D+00-0.33524450D+00-0.19474300D+00
-0.19474300D+00-0.16708931D+00-0.16708931D+00-0.35484220D+00-0.46733283D+00
-0.46231566D-01-0.46231566D-01-0.26720204D+00-0.26720204D+00-0.32521458D-01
0.34226181D+00 0.13132670D+02-0.46705467D+01-0.31729257D+00 0.47644415D-01
0.97242008D-02-0.97242008D-02 0.37446319D+01 0.26813116D+01-0.26813116D+01
0.29852520D+00-0.68766381D+00 0.68766381D+00 0.33524450D+00 0.19474300D+00
0.19474300D+00 0.16708931D+00-0.16708931D+00-0.35484220D+00 0.46733283D+00
0.46231566D-01 0.46231566D-01 0.26720204D+00-0.26720204D+00-0.32521458D-01
0.34226181D+00 0.13132670D+02-0.46705467D+01-0.31729257D+00 0.47644415D-01
-0.97242008D-02 0.97242008D-02 0.37446319D+01-0.26813116D+01 0.26813116D+01
0.29852520D+00 0.68766381D+00-0.68766381D+00 0.33524450D+00 0.19474300D+00
0.19474300D+00-0.16708931D+00 0.16708931D+00-0.35484220D+00 0.46733283D+00
0.46231566D-01 0.46231566D-01-0.26720204D+00 0.26720204D+00-0.32521458D-01
-0.34226181D+00-0.13132670D+02 0.46705467D+01 0.31729257D+00 0.47644415D-01
-0.97242008D-02-0.97242008D-02 0.37446319D+01-0.26813116D+01-0.26813116D+01
0.29852520D+00 0.68766381D+00 0.68766381D+00-0.33524450D+00-0.19474300D+00
-0.19474300D+00 0.16708931D+00 0.16708931D+00-0.35484220D+00-0.46733283D+00
-0.46231566D-01-0.46231566D-01 0.26720204D+00 0.26720204D+00-0.32521458D-01
118 Alpha MO OE= 0.41272001D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.42080392D+00 0.00000000D+00 0.00000000D+00
0.14007700D+02 0.00000000D+00 0.00000000D+00-0.11024009D+02 0.00000000D+00
0.00000000D+00-0.73983637D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.26944665D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.11897783D+02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.22778864D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.24393110D+00 0.00000000D+00 0.00000000D+00
0.14543827D+01 0.00000000D+00 0.00000000D+00 0.14543827D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.50189977D+01 0.00000000D+00 0.00000000D+00
0.43767730D+01 0.00000000D+00 0.00000000D+00 0.43767730D+01 0.00000000D+00
-0.34226181D+00-0.13132670D+02 0.46705467D+01 0.31729257D+00 0.97242008D-02
0.97242008D-02 0.47644415D-01 0.26813116D+01 0.26813116D+01 0.37446319D+01
-0.68766381D+00-0.68766381D+00 0.29852520D+00-0.19474300D+00-0.19474300D+00
-0.33524450D+00-0.35484220D+00-0.16708931D+00-0.16708931D+00-0.46231566D-01
-0.46231566D-01-0.46733283D+00-0.32521458D-01-0.26720204D+00-0.26720204D+00
-0.34226181D+00-0.13132670D+02 0.46705467D+01 0.31729257D+00-0.97242008D-02
-0.97242008D-02 0.47644415D-01-0.26813116D+01-0.26813116D+01 0.37446319D+01
0.68766381D+00 0.68766381D+00 0.29852520D+00-0.19474300D+00-0.19474300D+00
-0.33524450D+00-0.35484220D+00 0.16708931D+00 0.16708931D+00-0.46231566D-01
-0.46231566D-01-0.46733283D+00-0.32521458D-01 0.26720204D+00 0.26720204D+00
0.34226181D+00 0.13132670D+02-0.46705467D+01-0.31729257D+00 0.97242008D-02
-0.97242008D-02 0.47644415D-01 0.26813116D+01-0.26813116D+01 0.37446319D+01
-0.68766381D+00 0.68766381D+00 0.29852520D+00 0.19474300D+00 0.19474300D+00
0.33524450D+00-0.35484220D+00 0.16708931D+00-0.16708931D+00 0.46231566D-01
0.46231566D-01 0.46733283D+00-0.32521458D-01 0.26720204D+00-0.26720204D+00
0.34226181D+00 0.13132670D+02-0.46705467D+01-0.31729257D+00-0.97242008D-02
0.97242008D-02 0.47644415D-01-0.26813116D+01 0.26813116D+01 0.37446319D+01
0.68766381D+00-0.68766381D+00 0.29852520D+00 0.19474300D+00 0.19474300D+00
0.33524450D+00-0.35484220D+00-0.16708931D+00 0.16708931D+00 0.46231566D-01
0.46231566D-01 0.46733283D+00-0.32521458D-01-0.26720204D+00 0.26720204D+00
119 Alpha MO OE= 0.42807371D+01
0.70585720D-01 0.71766542D+00-0.12959664D+01 0.64498729D+02-0.22781271D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.59651954D+00-0.59651954D+00-0.59651954D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.11396705D+01-0.11396705D+01
-0.11396705D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11607044D+02
0.11607044D+02 0.11607044D+02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.70955792D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.84049725D+00
0.10159816D+01 0.58025997D+00-0.26886728D+02 0.53417656D-01 0.15059006D+00
0.15059006D+00 0.15059006D+00-0.22538454D+00-0.22538454D+00-0.22538454D+00
0.28518648D+01 0.28518648D+01 0.28518648D+01 0.37441008D+00 0.37441008D+00
0.37441008D+00 0.24927921D+00 0.24927921D+00 0.24927921D+00 0.21211561D+01
0.21211561D+01 0.21211561D+01-0.19506089D+00-0.19506089D+00-0.19506089D+00
0.10159816D+01 0.58025997D+00-0.26886728D+02 0.53417656D-01-0.15059006D+00
-0.15059006D+00 0.15059006D+00 0.22538454D+00 0.22538454D+00-0.22538454D+00
-0.28518648D+01-0.28518648D+01 0.28518648D+01 0.37441008D+00 0.37441008D+00
0.37441008D+00 0.24927921D+00-0.24927921D+00-0.24927921D+00 0.21211561D+01
0.21211561D+01 0.21211561D+01-0.19506089D+00 0.19506089D+00 0.19506089D+00
0.10159816D+01 0.58025997D+00-0.26886728D+02 0.53417656D-01-0.15059006D+00
0.15059006D+00-0.15059006D+00 0.22538454D+00-0.22538454D+00 0.22538454D+00
-0.28518648D+01 0.28518648D+01-0.28518648D+01 0.37441008D+00 0.37441008D+00
0.37441008D+00-0.24927921D+00 0.24927921D+00-0.24927921D+00 0.21211561D+01
0.21211561D+01 0.21211561D+01 0.19506089D+00-0.19506089D+00 0.19506089D+00
0.10159816D+01 0.58025997D+00-0.26886728D+02 0.53417656D-01 0.15059006D+00
-0.15059006D+00-0.15059006D+00-0.22538454D+00 0.22538454D+00 0.22538454D+00
0.28518648D+01-0.28518648D+01-0.28518648D+01 0.37441008D+00 0.37441008D+00
0.37441008D+00-0.24927921D+00-0.24927921D+00 0.24927921D+00 0.21211561D+01
0.21211561D+01 0.21211561D+01 0.19506089D+00 0.19506089D+00-0.19506089D+00
120 Alpha MO OE= 0.46001503D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.11969452D+00 0.00000000D+00 0.00000000D+00-0.33362334D+01
0.00000000D+00 0.00000000D+00 0.90996161D+01 0.00000000D+00 0.00000000D+00
0.25497172D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.34008531D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.16746070D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.19990854D+01 0.00000000D+00
0.00000000D+00-0.68237733D+00 0.00000000D+00 0.00000000D+00 0.28108640D+00
0.00000000D+00 0.00000000D+00 0.28108640D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.30858274D+01 0.00000000D+00 0.00000000D+00-0.20693434D+01
0.00000000D+00 0.00000000D+00-0.20693434D+01 0.00000000D+00 0.00000000D+00
-0.25258056D+00 0.28360876D+01-0.59886011D+01-0.19571921D+00 0.73594685D-01
-0.19367905D+00 0.73594685D-01-0.42528345D+00 0.67956403D-01-0.42528345D+00
0.55537132D+00 0.99122056D+00 0.55537132D+00-0.32074276D+00 0.33383276D+00
-0.32074276D+00-0.23829400D+00 0.19056094D+00-0.23829400D+00-0.38942690D-01
-0.66990643D+00-0.38942690D-01-0.27345506D-01-0.96838255D-01-0.27345506D-01
0.25258056D+00-0.28360876D+01 0.59886011D+01 0.19571921D+00 0.73594685D-01
-0.19367905D+00-0.73594685D-01-0.42528345D+00 0.67956403D-01 0.42528345D+00
0.55537132D+00 0.99122056D+00-0.55537132D+00 0.32074276D+00-0.33383276D+00
0.32074276D+00 0.23829400D+00 0.19056094D+00-0.23829400D+00 0.38942690D-01
0.66990643D+00 0.38942690D-01 0.27345506D-01-0.96838255D-01-0.27345506D-01
-0.25258056D+00 0.28360876D+01-0.59886011D+01-0.19571921D+00-0.73594685D-01
-0.19367905D+00-0.73594685D-01 0.42528345D+00 0.67956403D-01 0.42528345D+00
-0.55537132D+00 0.99122056D+00-0.55537132D+00-0.32074276D+00 0.33383276D+00
-0.32074276D+00 0.23829400D+00 0.19056094D+00 0.23829400D+00-0.38942690D-01
-0.66990643D+00-0.38942690D-01 0.27345506D-01-0.96838255D-01 0.27345506D-01
0.25258056D+00-0.28360876D+01 0.59886011D+01 0.19571921D+00-0.73594685D-01
-0.19367905D+00 0.73594685D-01 0.42528345D+00 0.67956403D-01-0.42528345D+00
-0.55537132D+00 0.99122056D+00 0.55537132D+00 0.32074276D+00-0.33383276D+00
0.32074276D+00-0.23829400D+00 0.19056094D+00 0.23829400D+00 0.38942690D-01
0.66990643D+00 0.38942690D-01-0.27345506D-01-0.96838255D-01 0.27345506D-01
121 Alpha MO OE= 0.46001503D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.11969452D+00 0.00000000D+00 0.00000000D+00
-0.33362334D+01 0.00000000D+00 0.00000000D+00 0.90996161D+01 0.00000000D+00
0.00000000D+00 0.25497172D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.34008531D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.16746070D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.19990854D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.68237733D+00 0.00000000D+00 0.00000000D+00
0.28108640D+00 0.00000000D+00 0.00000000D+00 0.28108640D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.30858274D+01 0.00000000D+00 0.00000000D+00
-0.20693434D+01 0.00000000D+00 0.00000000D+00-0.20693434D+01 0.00000000D+00
-0.25258056D+00 0.28360876D+01-0.59886011D+01-0.19571921D+00 0.73594685D-01
0.73594685D-01-0.19367905D+00-0.42528345D+00-0.42528345D+00 0.67956403D-01
0.55537132D+00 0.55537132D+00 0.99122056D+00-0.32074276D+00-0.32074276D+00
0.33383276D+00 0.19056094D+00-0.23829400D+00-0.23829400D+00-0.38942690D-01
-0.38942690D-01-0.66990643D+00-0.96838255D-01-0.27345506D-01-0.27345506D-01
-0.25258056D+00 0.28360876D+01-0.59886011D+01-0.19571921D+00-0.73594685D-01
-0.73594685D-01-0.19367905D+00 0.42528345D+00 0.42528345D+00 0.67956403D-01
-0.55537132D+00-0.55537132D+00 0.99122056D+00-0.32074276D+00-0.32074276D+00
0.33383276D+00 0.19056094D+00 0.23829400D+00 0.23829400D+00-0.38942690D-01
-0.38942690D-01-0.66990643D+00-0.96838255D-01 0.27345506D-01 0.27345506D-01
0.25258056D+00-0.28360876D+01 0.59886011D+01 0.19571921D+00 0.73594685D-01
-0.73594685D-01-0.19367905D+00-0.42528345D+00 0.42528345D+00 0.67956403D-01
0.55537132D+00-0.55537132D+00 0.99122056D+00 0.32074276D+00 0.32074276D+00
-0.33383276D+00 0.19056094D+00 0.23829400D+00-0.23829400D+00 0.38942690D-01
0.38942690D-01 0.66990643D+00-0.96838255D-01 0.27345506D-01-0.27345506D-01
0.25258056D+00-0.28360876D+01 0.59886011D+01 0.19571921D+00-0.73594685D-01
0.73594685D-01-0.19367905D+00 0.42528345D+00-0.42528345D+00 0.67956403D-01
-0.55537132D+00 0.55537132D+00 0.99122056D+00 0.32074276D+00 0.32074276D+00
-0.33383276D+00 0.19056094D+00-0.23829400D+00 0.23829400D+00 0.38942690D-01
0.38942690D-01 0.66990643D+00-0.96838255D-01-0.27345506D-01 0.27345506D-01
122 Alpha MO OE= 0.46001503D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.11969452D+00 0.00000000D+00 0.00000000D+00-0.33362334D+01 0.00000000D+00
0.00000000D+00 0.90996161D+01 0.00000000D+00 0.00000000D+00 0.25497172D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.34008531D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.16746070D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.19990854D+01
-0.68237733D+00 0.00000000D+00 0.00000000D+00 0.28108640D+00 0.00000000D+00
0.00000000D+00 0.28108640D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.30858274D+01 0.00000000D+00 0.00000000D+00-0.20693434D+01 0.00000000D+00
0.00000000D+00-0.20693434D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.25258056D+00 0.28360876D+01-0.59886011D+01-0.19571921D+00-0.19367905D+00
0.73594685D-01 0.73594685D-01 0.67956403D-01-0.42528345D+00-0.42528345D+00
0.99122056D+00 0.55537132D+00 0.55537132D+00 0.33383276D+00-0.32074276D+00
-0.32074276D+00-0.23829400D+00-0.23829400D+00 0.19056094D+00-0.66990643D+00
-0.38942690D-01-0.38942690D-01-0.27345506D-01-0.27345506D-01-0.96838255D-01
0.25258056D+00-0.28360876D+01 0.59886011D+01 0.19571921D+00-0.19367905D+00
0.73594685D-01-0.73594685D-01 0.67956403D-01-0.42528345D+00 0.42528345D+00
0.99122056D+00 0.55537132D+00-0.55537132D+00-0.33383276D+00 0.32074276D+00
0.32074276D+00 0.23829400D+00-0.23829400D+00 0.19056094D+00 0.66990643D+00
0.38942690D-01 0.38942690D-01 0.27345506D-01-0.27345506D-01-0.96838255D-01
0.25258056D+00-0.28360876D+01 0.59886011D+01 0.19571921D+00-0.19367905D+00
-0.73594685D-01 0.73594685D-01 0.67956403D-01 0.42528345D+00-0.42528345D+00
0.99122056D+00-0.55537132D+00 0.55537132D+00-0.33383276D+00 0.32074276D+00
0.32074276D+00-0.23829400D+00 0.23829400D+00 0.19056094D+00 0.66990643D+00
0.38942690D-01 0.38942690D-01-0.27345506D-01 0.27345506D-01-0.96838255D-01
-0.25258056D+00 0.28360876D+01-0.59886011D+01-0.19571921D+00-0.19367905D+00
-0.73594685D-01-0.73594685D-01 0.67956403D-01 0.42528345D+00 0.42528345D+00
0.99122056D+00-0.55537132D+00-0.55537132D+00 0.33383276D+00-0.32074276D+00
-0.32074276D+00 0.23829400D+00 0.23829400D+00 0.19056094D+00-0.66990643D+00
-0.38942690D-01-0.38942690D-01 0.27345506D-01 0.27345506D-01-0.96838255D-01
123 Alpha MO OE= 0.47584587D+01
0.13326603D-12 0.60393378D-12-0.31983162D-11 0.13554945D-09-0.87708199D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.27510336D-01-0.65147233D+00 0.62396200D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.15688816D+00 0.37152689D+01
-0.35583808D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.83872263D-01
0.19861793D+01-0.19023070D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.38666782D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10676957D-12
0.52114368D-12 0.49879106D-11-0.50647128D-10 0.29225279D-12-0.20591031D-01
0.48761626D+00-0.46702523D+00 0.63705121D-01-0.15086011D+01 0.14448960D+01
0.40737908D-01-0.96471452D+00 0.92397661D+00-0.20612397D-02 0.48812223D-01
-0.46750983D-01 0.13595771D+00-0.14195205D+00 0.59943429D-02-0.20974945D-01
0.49670773D+00-0.47573278D+00 0.35254866D+00-0.36809245D+00 0.15543787D-01
0.52114368D-12 0.49879106D-11-0.50647128D-10 0.29225279D-12 0.20591031D-01
-0.48761626D+00-0.46702523D+00-0.63705121D-01 0.15086011D+01 0.14448960D+01
-0.40737908D-01 0.96471452D+00 0.92397661D+00-0.20612397D-02 0.48812223D-01
-0.46750983D-01 0.13595771D+00 0.14195205D+00-0.59943429D-02-0.20974945D-01
0.49670773D+00-0.47573278D+00 0.35254866D+00 0.36809245D+00-0.15543787D-01
0.52114368D-12 0.49879106D-11-0.50647128D-10 0.29225279D-12 0.20591031D-01
0.48761626D+00 0.46702523D+00-0.63705121D-01-0.15086011D+01-0.14448960D+01
-0.40737908D-01-0.96471452D+00-0.92397661D+00-0.20612397D-02 0.48812223D-01
-0.46750983D-01-0.13595771D+00-0.14195205D+00-0.59943429D-02-0.20974945D-01
0.49670773D+00-0.47573278D+00-0.35254866D+00-0.36809245D+00-0.15543787D-01
0.52114368D-12 0.49879106D-11-0.50647128D-10 0.29225279D-12-0.20591031D-01
-0.48761626D+00 0.46702523D+00 0.63705121D-01 0.15086011D+01-0.14448960D+01
0.40737908D-01 0.96471452D+00-0.92397661D+00-0.20612397D-02 0.48812223D-01
-0.46750983D-01-0.13595771D+00 0.14195205D+00 0.59943429D-02-0.20974945D-01
0.49670773D+00-0.47573278D+00-0.35254866D+00 0.36809245D+00 0.15543787D-01
124 Alpha MO OE= 0.47584587D+01
-0.22648604D-12-0.58843488D-12 0.70142455D-11-0.30539062D-09 0.19241237D-10
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.73637235D+00 0.34436153D+00 0.39201083D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.41994436D+01-0.19638527D+01
-0.22355909D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.22450186D+01
-0.10498738D+01-0.11951448D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.47183974D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.16176395D-11
-0.91179530D-12-0.57426671D-11 0.10737897D-09-0.67689081D-12 0.55116252D+00
-0.25774890D+00-0.29341362D+00-0.17052024D+01 0.79743094D+00 0.90777144D+00
-0.10904363D+01 0.50993810D+00 0.58049823D+00 0.55173443D-01-0.25801636D-01
-0.29371807D-01 0.85416890D-01 0.75034384D-01-0.16045127D+00 0.56143879D+00
-0.26255456D+00-0.29888423D+00 0.22149248D+00 0.19456986D+00-0.41606234D+00
-0.91179530D-12-0.57426671D-11 0.10737897D-09-0.67689081D-12-0.55116252D+00
0.25774890D+00-0.29341362D+00 0.17052024D+01-0.79743094D+00 0.90777144D+00
0.10904363D+01-0.50993810D+00 0.58049823D+00 0.55173443D-01-0.25801636D-01
-0.29371807D-01 0.85416890D-01-0.75034384D-01 0.16045127D+00 0.56143879D+00
-0.26255456D+00-0.29888423D+00 0.22149248D+00-0.19456986D+00 0.41606234D+00
-0.91179530D-12-0.57426671D-11 0.10737897D-09-0.67689081D-12-0.55116252D+00
-0.25774890D+00 0.29341362D+00 0.17052024D+01 0.79743094D+00-0.90777144D+00
0.10904363D+01 0.50993810D+00-0.58049823D+00 0.55173443D-01-0.25801636D-01
-0.29371807D-01-0.85416890D-01 0.75034384D-01 0.16045127D+00 0.56143879D+00
-0.26255456D+00-0.29888423D+00-0.22149248D+00 0.19456986D+00 0.41606234D+00
-0.91179530D-12-0.57426671D-11 0.10737897D-09-0.67689081D-12 0.55116252D+00
0.25774890D+00 0.29341362D+00-0.17052024D+01-0.79743094D+00-0.90777144D+00
-0.10904363D+01-0.50993810D+00-0.58049823D+00 0.55173443D-01-0.25801636D-01
-0.29371807D-01-0.85416890D-01-0.75034384D-01-0.16045127D+00 0.56143879D+00
-0.26255456D+00-0.29888423D+00-0.22149248D+00-0.19456986D+00-0.41606234D+00
125 Alpha MO OE= 0.48568141D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.21974792D-13 0.00000000D+00 0.00000000D+00 0.28732419D-11 0.00000000D+00
0.00000000D+00-0.54796794D-11 0.00000000D+00 0.00000000D+00-0.21534375D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.52306532D-13 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.99890133D-12 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.62087917D-12
-0.87851983D-13 0.00000000D+00 0.00000000D+00-0.66714755D+00 0.00000000D+00
0.00000000D+00 0.66714755D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.24496734D-11 0.00000000D+00 0.00000000D+00-0.12971920D+01 0.00000000D+00
0.00000000D+00 0.12971920D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.11889023D-13-0.17319613D-11 0.39940628D-11 0.13344126D-12 0.17196506D-12
-0.33515678D+00 0.33515678D+00-0.41509343D-13 0.13062703D+01-0.13062703D+01
-0.55386603D-12 0.23079192D+00-0.23079192D+00-0.10352841D-12-0.52171876D+00
0.52171876D+00-0.16988289D+00 0.16988289D+00-0.97849588D-14 0.80851854D-14
-0.36226438D+00 0.36226438D+00-0.11935788D+00 0.11935788D+00-0.99675533D-13
-0.11889023D-13 0.17319613D-11-0.39940628D-11-0.13344126D-12 0.17196506D-12
-0.33515678D+00-0.33515678D+00-0.41509343D-13 0.13062703D+01 0.13062703D+01
-0.55386603D-12 0.23079192D+00 0.23079192D+00 0.10352841D-12 0.52171876D+00
-0.52171876D+00 0.16988289D+00 0.16988289D+00-0.97849588D-14-0.80851854D-14
0.36226438D+00-0.36226438D+00 0.11935788D+00 0.11935788D+00-0.99675533D-13
-0.11889023D-13 0.17319613D-11-0.39940628D-11-0.13344126D-12 0.17196506D-12
0.33515678D+00 0.33515678D+00-0.41509343D-13-0.13062703D+01-0.13062703D+01
-0.55386603D-12-0.23079192D+00-0.23079192D+00 0.10352841D-12 0.52171876D+00
-0.52171876D+00-0.16988289D+00-0.16988289D+00-0.97849588D-14-0.80851854D-14
0.36226438D+00-0.36226438D+00-0.11935788D+00-0.11935788D+00-0.99675533D-13
0.11889023D-13-0.17319613D-11 0.39940628D-11 0.13344126D-12 0.17196506D-12
0.33515678D+00-0.33515678D+00-0.41509343D-13-0.13062703D+01 0.13062703D+01
-0.55386603D-12-0.23079192D+00 0.23079192D+00-0.10352841D-12-0.52171876D+00
0.52171876D+00 0.16988289D+00-0.16988289D+00-0.97849588D-14 0.80851854D-14
-0.36226438D+00 0.36226438D+00 0.11935788D+00-0.11935788D+00-0.99675533D-13
126 Alpha MO OE= 0.48568141D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.38373565D-12 0.00000000D+00 0.00000000D+00-0.36041912D-11
0.00000000D+00 0.00000000D+00 0.13607337D-10 0.00000000D+00 0.00000000D+00
0.10834024D-11 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.15203630D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.25289277D-11 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.24240981D-11 0.00000000D+00
0.00000000D+00-0.24018426D-12 0.00000000D+00 0.00000000D+00-0.66714755D+00
0.00000000D+00 0.00000000D+00 0.66714755D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.13540540D-11 0.00000000D+00 0.00000000D+00-0.12971920D+01
0.00000000D+00 0.00000000D+00 0.12971920D+01 0.00000000D+00 0.00000000D+00
-0.99229014D-13 0.27061572D-11-0.93436398D-11-0.81990470D-12-0.33515678D+00
0.12310567D-12 0.33515678D+00 0.13062703D+01-0.77250895D-12-0.13062703D+01
0.23079192D+00 0.12221106D-11-0.23079192D+00-0.52171876D+00-0.21912708D-13
0.52171876D+00-0.16988289D+00 0.84196385D-13 0.16988289D+00-0.36226438D+00
-0.56611697D-12 0.36226438D+00-0.11935788D+00-0.18575343D-12 0.11935788D+00
0.99229014D-13-0.27061572D-11 0.93436398D-11 0.81990470D-12-0.33515678D+00
0.12310567D-12-0.33515678D+00 0.13062703D+01-0.77250895D-12 0.13062703D+01
0.23079192D+00 0.12221106D-11 0.23079192D+00 0.52171876D+00 0.21912708D-13
-0.52171876D+00 0.16988289D+00 0.84196385D-13 0.16988289D+00 0.36226438D+00
0.56611697D-12-0.36226438D+00 0.11935788D+00-0.18575343D-12 0.11935788D+00
-0.99229014D-13 0.27061572D-11-0.93436398D-11-0.81990470D-12 0.33515678D+00
0.12310567D-12-0.33515678D+00-0.13062703D+01-0.77250895D-12 0.13062703D+01
-0.23079192D+00 0.12221106D-11 0.23079192D+00-0.52171876D+00-0.21912708D-13
0.52171876D+00 0.16988289D+00 0.84196385D-13-0.16988289D+00-0.36226438D+00
-0.56611697D-12 0.36226438D+00 0.11935788D+00-0.18575343D-12-0.11935788D+00
0.99229014D-13-0.27061572D-11 0.93436398D-11 0.81990470D-12 0.33515678D+00
0.12310567D-12 0.33515678D+00-0.13062703D+01-0.77250895D-12-0.13062703D+01
-0.23079192D+00 0.12221106D-11-0.23079192D+00 0.52171876D+00 0.21912708D-13
-0.52171876D+00-0.16988289D+00 0.84196385D-13-0.16988289D+00 0.36226438D+00
0.56611697D-12-0.36226438D+00-0.11935788D+00-0.18575343D-12-0.11935788D+00
127 Alpha MO OE= 0.48568141D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.23979556D-12 0.00000000D+00 0.00000000D+00
0.43054762D-12 0.00000000D+00 0.00000000D+00-0.44768517D-11 0.00000000D+00
0.00000000D+00-0.60246596D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.43953548D-15 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.46754175D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.93737897D-12 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.69568978D-13 0.00000000D+00 0.00000000D+00
-0.66714755D+00 0.00000000D+00 0.00000000D+00 0.66714755D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.78569705D-12 0.00000000D+00 0.00000000D+00
-0.12971920D+01 0.00000000D+00 0.00000000D+00 0.12971920D+01 0.00000000D+00
0.62125116D-13-0.12181827D-12 0.27243272D-11 0.46289153D-12-0.33515678D+00
0.33515678D+00-0.16985045D-12 0.13062703D+01-0.13062703D+01 0.39393045D-12
0.23079192D+00-0.23079192D+00-0.24303750D-12-0.52171876D+00 0.52171876D+00
0.81579112D-13-0.30699689D-13-0.16988289D+00 0.16988289D+00-0.36226438D+00
0.36226438D+00 0.29633313D-12 0.13626552D-12-0.11935788D+00 0.11935788D+00
0.62125116D-13-0.12181827D-12 0.27243272D-11 0.46289153D-12 0.33515678D+00
-0.33515678D+00-0.16985045D-12-0.13062703D+01 0.13062703D+01 0.39393045D-12
-0.23079192D+00 0.23079192D+00-0.24303750D-12-0.52171876D+00 0.52171876D+00
0.81579112D-13-0.30699689D-13 0.16988289D+00-0.16988289D+00-0.36226438D+00
0.36226438D+00 0.29633313D-12 0.13626552D-12 0.11935788D+00-0.11935788D+00
-0.62125116D-13 0.12181827D-12-0.27243272D-11-0.46289153D-12-0.33515678D+00
-0.33515678D+00-0.16985045D-12 0.13062703D+01 0.13062703D+01 0.39393045D-12
0.23079192D+00 0.23079192D+00-0.24303750D-12 0.52171876D+00-0.52171876D+00
-0.81579112D-13-0.30699689D-13 0.16988289D+00 0.16988289D+00 0.36226438D+00
-0.36226438D+00-0.29633313D-12 0.13626552D-12 0.11935788D+00 0.11935788D+00
-0.62125116D-13 0.12181827D-12-0.27243272D-11-0.46289153D-12 0.33515678D+00
0.33515678D+00-0.16985045D-12-0.13062703D+01-0.13062703D+01 0.39393045D-12
-0.23079192D+00-0.23079192D+00-0.24303750D-12 0.52171876D+00-0.52171876D+00
-0.81579112D-13-0.30699689D-13-0.16988289D+00-0.16988289D+00 0.36226438D+00
-0.36226438D+00-0.29633313D-12 0.13626552D-12-0.11935788D+00-0.11935788D+00
128 Alpha MO OE= 0.49453886D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.23310033D+00 0.00000000D+00 0.00000000D+00 0.29290258D+01
0.00000000D+00 0.00000000D+00-0.44199848D+01 0.00000000D+00 0.00000000D+00
0.18673322D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.23482422D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.19700305D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.70134775D+00 0.00000000D+00
0.00000000D+00-0.97668748D+00 0.00000000D+00 0.00000000D+00-0.95036271D-01
0.00000000D+00 0.00000000D+00-0.95036271D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.39413340D+01 0.00000000D+00 0.00000000D+00 0.22553114D+00
0.00000000D+00 0.00000000D+00 0.22553114D+00 0.00000000D+00 0.00000000D+00
0.80041785D-02 0.18057783D+00 0.65371096D+01-0.12150967D+00-0.42118060D+00
0.40549807D+00-0.42118060D+00 0.80485426D+00-0.12629353D+01 0.80485426D+00
-0.67570008D+00-0.15462912D+01-0.67570008D+00-0.24255549D+00-0.21294889D+00
-0.24255549D+00-0.13668735D+00 0.26049157D-01-0.13668735D+00-0.85040171D+00
-0.31326304D+00-0.85040171D+00 0.37962174D+00-0.34591791D+00 0.37962174D+00
-0.80041785D-02-0.18057783D+00-0.65371096D+01 0.12150967D+00-0.42118060D+00
0.40549807D+00 0.42118060D+00 0.80485426D+00-0.12629353D+01-0.80485426D+00
-0.67570008D+00-0.15462912D+01 0.67570008D+00 0.24255549D+00 0.21294889D+00
0.24255549D+00 0.13668735D+00 0.26049157D-01-0.13668735D+00 0.85040171D+00
0.31326304D+00 0.85040171D+00-0.37962174D+00-0.34591791D+00 0.37962174D+00
0.80041785D-02 0.18057783D+00 0.65371096D+01-0.12150967D+00 0.42118060D+00
0.40549807D+00 0.42118060D+00-0.80485426D+00-0.12629353D+01-0.80485426D+00
0.67570008D+00-0.15462912D+01 0.67570008D+00-0.24255549D+00-0.21294889D+00
-0.24255549D+00 0.13668735D+00 0.26049157D-01 0.13668735D+00-0.85040171D+00
-0.31326304D+00-0.85040171D+00-0.37962174D+00-0.34591791D+00-0.37962174D+00
-0.80041785D-02-0.18057783D+00-0.65371096D+01 0.12150967D+00 0.42118060D+00
0.40549807D+00-0.42118060D+00-0.80485426D+00-0.12629353D+01 0.80485426D+00
0.67570008D+00-0.15462912D+01-0.67570008D+00 0.24255549D+00 0.21294889D+00
0.24255549D+00-0.13668735D+00 0.26049157D-01 0.13668735D+00 0.85040171D+00
0.31326304D+00 0.85040171D+00 0.37962174D+00-0.34591791D+00-0.37962174D+00
129 Alpha MO OE= 0.49453886D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.23310033D+00 0.00000000D+00 0.00000000D+00 0.29290258D+01 0.00000000D+00
0.00000000D+00-0.44199848D+01 0.00000000D+00 0.00000000D+00 0.18673322D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.23482422D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.19700305D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.70134775D+00
-0.97668748D+00 0.00000000D+00 0.00000000D+00-0.95036271D-01 0.00000000D+00
0.00000000D+00-0.95036271D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.39413340D+01 0.00000000D+00 0.00000000D+00 0.22553114D+00 0.00000000D+00
0.00000000D+00 0.22553114D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.80041785D-02 0.18057783D+00 0.65371096D+01-0.12150967D+00 0.40549807D+00
-0.42118060D+00-0.42118060D+00-0.12629353D+01 0.80485426D+00 0.80485426D+00
-0.15462912D+01-0.67570008D+00-0.67570008D+00-0.21294889D+00-0.24255549D+00
-0.24255549D+00-0.13668735D+00-0.13668735D+00 0.26049157D-01-0.31326304D+00
-0.85040171D+00-0.85040171D+00 0.37962174D+00 0.37962174D+00-0.34591791D+00
-0.80041785D-02-0.18057783D+00-0.65371096D+01 0.12150967D+00 0.40549807D+00
-0.42118060D+00 0.42118060D+00-0.12629353D+01 0.80485426D+00-0.80485426D+00
-0.15462912D+01-0.67570008D+00 0.67570008D+00 0.21294889D+00 0.24255549D+00
0.24255549D+00 0.13668735D+00-0.13668735D+00 0.26049157D-01 0.31326304D+00
0.85040171D+00 0.85040171D+00-0.37962174D+00 0.37962174D+00-0.34591791D+00
-0.80041785D-02-0.18057783D+00-0.65371096D+01 0.12150967D+00 0.40549807D+00
0.42118060D+00-0.42118060D+00-0.12629353D+01-0.80485426D+00 0.80485426D+00
-0.15462912D+01 0.67570008D+00-0.67570008D+00 0.21294889D+00 0.24255549D+00
0.24255549D+00-0.13668735D+00 0.13668735D+00 0.26049157D-01 0.31326304D+00
0.85040171D+00 0.85040171D+00 0.37962174D+00-0.37962174D+00-0.34591791D+00
0.80041785D-02 0.18057783D+00 0.65371096D+01-0.12150967D+00 0.40549807D+00
0.42118060D+00 0.42118060D+00-0.12629353D+01-0.80485426D+00-0.80485426D+00
-0.15462912D+01 0.67570008D+00 0.67570008D+00-0.21294889D+00-0.24255549D+00
-0.24255549D+00 0.13668735D+00 0.13668735D+00 0.26049157D-01-0.31326304D+00
-0.85040171D+00-0.85040171D+00-0.37962174D+00-0.37962174D+00-0.34591791D+00
130 Alpha MO OE= 0.49453886D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.23310033D+00 0.00000000D+00 0.00000000D+00
0.29290258D+01 0.00000000D+00 0.00000000D+00-0.44199848D+01 0.00000000D+00
0.00000000D+00 0.18673322D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.23482422D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.19700305D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.70134775D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.97668748D+00 0.00000000D+00 0.00000000D+00
-0.95036271D-01 0.00000000D+00 0.00000000D+00-0.95036271D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.39413340D+01 0.00000000D+00 0.00000000D+00
0.22553114D+00 0.00000000D+00 0.00000000D+00 0.22553114D+00 0.00000000D+00
0.80041785D-02 0.18057783D+00 0.65371096D+01-0.12150967D+00-0.42118060D+00
-0.42118060D+00 0.40549807D+00 0.80485426D+00 0.80485426D+00-0.12629353D+01
-0.67570008D+00-0.67570008D+00-0.15462912D+01-0.24255549D+00-0.24255549D+00
-0.21294889D+00 0.26049157D-01-0.13668735D+00-0.13668735D+00-0.85040171D+00
-0.85040171D+00-0.31326304D+00-0.34591791D+00 0.37962174D+00 0.37962174D+00
0.80041785D-02 0.18057783D+00 0.65371096D+01-0.12150967D+00 0.42118060D+00
0.42118060D+00 0.40549807D+00-0.80485426D+00-0.80485426D+00-0.12629353D+01
0.67570008D+00 0.67570008D+00-0.15462912D+01-0.24255549D+00-0.24255549D+00
-0.21294889D+00 0.26049157D-01 0.13668735D+00 0.13668735D+00-0.85040171D+00
-0.85040171D+00-0.31326304D+00-0.34591791D+00-0.37962174D+00-0.37962174D+00
-0.80041785D-02-0.18057783D+00-0.65371096D+01 0.12150967D+00-0.42118060D+00
0.42118060D+00 0.40549807D+00 0.80485426D+00-0.80485426D+00-0.12629353D+01
-0.67570008D+00 0.67570008D+00-0.15462912D+01 0.24255549D+00 0.24255549D+00
0.21294889D+00 0.26049157D-01 0.13668735D+00-0.13668735D+00 0.85040171D+00
0.85040171D+00 0.31326304D+00-0.34591791D+00-0.37962174D+00 0.37962174D+00
-0.80041785D-02-0.18057783D+00-0.65371096D+01 0.12150967D+00 0.42118060D+00
-0.42118060D+00 0.40549807D+00-0.80485426D+00 0.80485426D+00-0.12629353D+01
0.67570008D+00-0.67570008D+00-0.15462912D+01 0.24255549D+00 0.24255549D+00
0.21294889D+00 0.26049157D-01-0.13668735D+00 0.13668735D+00 0.85040171D+00
0.85040171D+00 0.31326304D+00-0.34591791D+00 0.37962174D+00-0.37962174D+00
131 Alpha MO OE= 0.51555581D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.18788025D+00 0.00000000D+00 0.00000000D+00-0.26627531D+01 0.00000000D+00
0.00000000D+00 0.54636304D+01 0.00000000D+00 0.00000000D+00 0.59747518D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.17290108D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.44800812D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.68676428D+00
0.47506208D+00 0.00000000D+00 0.00000000D+00 0.30343553D-01 0.00000000D+00
0.00000000D+00 0.30343553D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.84341031D+00 0.00000000D+00 0.00000000D+00-0.19149176D+01 0.00000000D+00
0.00000000D+00-0.19149176D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.14024644D+00 0.30485434D+01-0.29214157D+01-0.28530113D+00 0.45345894D+00
0.11746546D-01 0.11746546D-01-0.24942930D+01-0.21056936D+00-0.21056936D+00
-0.13823883D+00 0.31140392D+00 0.31140392D+00 0.78629687D+00 0.67607337D-01
0.67607337D-01 0.29124539D+00 0.29124539D+00-0.11579884D+00 0.30579750D+00
0.12199275D+00 0.12199275D+00 0.36870772D+00 0.36870772D+00-0.28153645D+00
-0.14024644D+00-0.30485434D+01 0.29214157D+01 0.28530113D+00 0.45345894D+00
0.11746546D-01-0.11746546D-01-0.24942930D+01-0.21056936D+00 0.21056936D+00
-0.13823883D+00 0.31140392D+00-0.31140392D+00-0.78629687D+00-0.67607337D-01
-0.67607337D-01-0.29124539D+00 0.29124539D+00-0.11579884D+00-0.30579750D+00
-0.12199275D+00-0.12199275D+00-0.36870772D+00 0.36870772D+00-0.28153645D+00
-0.14024644D+00-0.30485434D+01 0.29214157D+01 0.28530113D+00 0.45345894D+00
-0.11746546D-01 0.11746546D-01-0.24942930D+01 0.21056936D+00-0.21056936D+00
-0.13823883D+00-0.31140392D+00 0.31140392D+00-0.78629687D+00-0.67607337D-01
-0.67607337D-01 0.29124539D+00-0.29124539D+00-0.11579884D+00-0.30579750D+00
-0.12199275D+00-0.12199275D+00 0.36870772D+00-0.36870772D+00-0.28153645D+00
0.14024644D+00 0.30485434D+01-0.29214157D+01-0.28530113D+00 0.45345894D+00
-0.11746546D-01-0.11746546D-01-0.24942930D+01 0.21056936D+00 0.21056936D+00
-0.13823883D+00-0.31140392D+00-0.31140392D+00 0.78629687D+00 0.67607337D-01
0.67607337D-01-0.29124539D+00-0.29124539D+00-0.11579884D+00 0.30579750D+00
0.12199275D+00 0.12199275D+00-0.36870772D+00-0.36870772D+00-0.28153645D+00
132 Alpha MO OE= 0.51555581D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.18788025D+00 0.00000000D+00 0.00000000D+00
-0.26627531D+01 0.00000000D+00 0.00000000D+00 0.54636304D+01 0.00000000D+00
0.00000000D+00 0.59747518D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.17290108D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.44800812D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.68676428D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.47506208D+00 0.00000000D+00 0.00000000D+00
0.30343553D-01 0.00000000D+00 0.00000000D+00 0.30343553D-01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.84341031D+00 0.00000000D+00 0.00000000D+00
-0.19149176D+01 0.00000000D+00 0.00000000D+00-0.19149176D+01 0.00000000D+00
0.14024644D+00 0.30485434D+01-0.29214157D+01-0.28530113D+00 0.11746546D-01
0.11746546D-01 0.45345894D+00-0.21056936D+00-0.21056936D+00-0.24942930D+01
0.31140392D+00 0.31140392D+00-0.13823883D+00 0.67607337D-01 0.67607337D-01
0.78629687D+00-0.11579884D+00 0.29124539D+00 0.29124539D+00 0.12199275D+00
0.12199275D+00 0.30579750D+00-0.28153645D+00 0.36870772D+00 0.36870772D+00
0.14024644D+00 0.30485434D+01-0.29214157D+01-0.28530113D+00-0.11746546D-01
-0.11746546D-01 0.45345894D+00 0.21056936D+00 0.21056936D+00-0.24942930D+01
-0.31140392D+00-0.31140392D+00-0.13823883D+00 0.67607337D-01 0.67607337D-01
0.78629687D+00-0.11579884D+00-0.29124539D+00-0.29124539D+00 0.12199275D+00
0.12199275D+00 0.30579750D+00-0.28153645D+00-0.36870772D+00-0.36870772D+00
-0.14024644D+00-0.30485434D+01 0.29214157D+01 0.28530113D+00 0.11746546D-01
-0.11746546D-01 0.45345894D+00-0.21056936D+00 0.21056936D+00-0.24942930D+01
0.31140392D+00-0.31140392D+00-0.13823883D+00-0.67607337D-01-0.67607337D-01
-0.78629687D+00-0.11579884D+00-0.29124539D+00 0.29124539D+00-0.12199275D+00
-0.12199275D+00-0.30579750D+00-0.28153645D+00-0.36870772D+00 0.36870772D+00
-0.14024644D+00-0.30485434D+01 0.29214157D+01 0.28530113D+00-0.11746546D-01
0.11746546D-01 0.45345894D+00 0.21056936D+00-0.21056936D+00-0.24942930D+01
-0.31140392D+00 0.31140392D+00-0.13823883D+00-0.67607337D-01-0.67607337D-01
-0.78629687D+00-0.11579884D+00 0.29124539D+00-0.29124539D+00-0.12199275D+00
-0.12199275D+00-0.30579750D+00-0.28153645D+00 0.36870772D+00-0.36870772D+00
133 Alpha MO OE= 0.51555581D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.18788025D+00 0.00000000D+00 0.00000000D+00-0.26627531D+01
0.00000000D+00 0.00000000D+00 0.54636304D+01 0.00000000D+00 0.00000000D+00
0.59747518D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.17290108D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.44800812D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.68676428D+00 0.00000000D+00
0.00000000D+00 0.47506208D+00 0.00000000D+00 0.00000000D+00 0.30343553D-01
0.00000000D+00 0.00000000D+00 0.30343553D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.84341031D+00 0.00000000D+00 0.00000000D+00-0.19149176D+01
0.00000000D+00 0.00000000D+00-0.19149176D+01 0.00000000D+00 0.00000000D+00
0.14024644D+00 0.30485434D+01-0.29214157D+01-0.28530113D+00 0.11746546D-01
0.45345894D+00 0.11746546D-01-0.21056936D+00-0.24942930D+01-0.21056936D+00
0.31140392D+00-0.13823883D+00 0.31140392D+00 0.67607337D-01 0.78629687D+00
0.67607337D-01 0.29124539D+00-0.11579884D+00 0.29124539D+00 0.12199275D+00
0.30579750D+00 0.12199275D+00 0.36870772D+00-0.28153645D+00 0.36870772D+00
-0.14024644D+00-0.30485434D+01 0.29214157D+01 0.28530113D+00 0.11746546D-01
0.45345894D+00-0.11746546D-01-0.21056936D+00-0.24942930D+01 0.21056936D+00
0.31140392D+00-0.13823883D+00-0.31140392D+00-0.67607337D-01-0.78629687D+00
-0.67607337D-01-0.29124539D+00-0.11579884D+00 0.29124539D+00-0.12199275D+00
-0.30579750D+00-0.12199275D+00-0.36870772D+00-0.28153645D+00 0.36870772D+00
0.14024644D+00 0.30485434D+01-0.29214157D+01-0.28530113D+00-0.11746546D-01
0.45345894D+00-0.11746546D-01 0.21056936D+00-0.24942930D+01 0.21056936D+00
-0.31140392D+00-0.13823883D+00-0.31140392D+00 0.67607337D-01 0.78629687D+00
0.67607337D-01-0.29124539D+00-0.11579884D+00-0.29124539D+00 0.12199275D+00
0.30579750D+00 0.12199275D+00-0.36870772D+00-0.28153645D+00-0.36870772D+00
-0.14024644D+00-0.30485434D+01 0.29214157D+01 0.28530113D+00-0.11746546D-01
0.45345894D+00 0.11746546D-01 0.21056936D+00-0.24942930D+01-0.21056936D+00
-0.31140392D+00-0.13823883D+00 0.31140392D+00-0.67607337D-01-0.78629687D+00
-0.67607337D-01 0.29124539D+00-0.11579884D+00-0.29124539D+00-0.12199275D+00
-0.30579750D+00-0.12199275D+00 0.36870772D+00-0.28153645D+00-0.36870772D+00
134 Alpha MO OE= 0.52308868D+01
-0.23243990D+00-0.70081667D-01-0.58099060D+00 0.23615495D+02 0.30607259D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.46615045D-01 0.46615045D-01 0.46615045D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.12557259D+01-0.12557259D+01
-0.12557259D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.14479749D+01
0.14479749D+01 0.14479749D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.41075743D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.56025297D+00
0.35753940D+00-0.31362539D+01-0.72379795D+01-0.17462043D+00 0.34772787D+00
0.34772787D+00 0.34772787D+00 0.19852481D+00 0.19852481D+00 0.19852481D+00
0.54846080D+00 0.54846080D+00 0.54846080D+00 0.47487397D+00 0.47487397D+00
0.47487397D+00-0.32522152D+00-0.32522152D+00-0.32522152D+00 0.81657773D+00
0.81657773D+00 0.81657773D+00 0.21446622D+00 0.21446622D+00 0.21446622D+00
0.35753940D+00-0.31362539D+01-0.72379795D+01-0.17462043D+00-0.34772787D+00
-0.34772787D+00 0.34772787D+00-0.19852481D+00-0.19852481D+00 0.19852481D+00
-0.54846080D+00-0.54846080D+00 0.54846080D+00 0.47487397D+00 0.47487397D+00
0.47487397D+00-0.32522152D+00 0.32522152D+00 0.32522152D+00 0.81657773D+00
0.81657773D+00 0.81657773D+00 0.21446622D+00-0.21446622D+00-0.21446622D+00
0.35753940D+00-0.31362539D+01-0.72379795D+01-0.17462043D+00-0.34772787D+00
0.34772787D+00-0.34772787D+00-0.19852481D+00 0.19852481D+00-0.19852481D+00
-0.54846080D+00 0.54846080D+00-0.54846080D+00 0.47487397D+00 0.47487397D+00
0.47487397D+00 0.32522152D+00-0.32522152D+00 0.32522152D+00 0.81657773D+00
0.81657773D+00 0.81657773D+00-0.21446622D+00 0.21446622D+00-0.21446622D+00
0.35753940D+00-0.31362539D+01-0.72379795D+01-0.17462043D+00 0.34772787D+00
-0.34772787D+00-0.34772787D+00 0.19852481D+00-0.19852481D+00-0.19852481D+00
0.54846080D+00-0.54846080D+00-0.54846080D+00 0.47487397D+00 0.47487397D+00
0.47487397D+00 0.32522152D+00 0.32522152D+00-0.32522152D+00 0.81657773D+00
0.81657773D+00 0.81657773D+00-0.21446622D+00-0.21446622D+00 0.21446622D+00
135 Alpha MO OE= 0.56361675D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.20264975D-12 0.00000000D+00 0.00000000D+00-0.54015588D-11
0.00000000D+00 0.00000000D+00 0.16019798D-10 0.00000000D+00 0.00000000D+00
0.10576057D-11 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.21874032D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.12352973D-11 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.27110277D-11 0.00000000D+00
0.00000000D+00 0.66063734D-12 0.00000000D+00 0.00000000D+00 0.13892089D+01
0.00000000D+00 0.00000000D+00-0.13892089D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.35065130D-11 0.00000000D+00 0.00000000D+00-0.84038596D+00
0.00000000D+00 0.00000000D+00 0.84038596D+00 0.00000000D+00 0.00000000D+00
0.83960050D-13 0.20274241D-11-0.14440043D-10-0.76379778D-12-0.47543784D+00
-0.55998739D-13 0.47543784D+00 0.40450912D+00-0.15723059D-12-0.40450912D+00
0.20354759D+00 0.23444414D-11-0.20354759D+00 0.46584557D+00 0.26741998D-12
-0.46584557D+00 0.94828653D-01 0.14564230D-13-0.94828653D-01-0.26189257D+00
0.41024367D-13 0.26189257D+00 0.65567238D-02 0.46319274D-13-0.65567238D-02
-0.83960050D-13-0.20274241D-11 0.14440043D-10 0.76379778D-12-0.47543784D+00
-0.55998739D-13-0.47543784D+00 0.40450912D+00-0.15723059D-12 0.40450912D+00
0.20354759D+00 0.23444414D-11 0.20354759D+00-0.46584557D+00-0.26741998D-12
0.46584557D+00-0.94828653D-01 0.14564230D-13-0.94828653D-01 0.26189257D+00
-0.41024367D-13-0.26189257D+00-0.65567238D-02 0.46319274D-13-0.65567238D-02
0.83960050D-13 0.20274241D-11-0.14440043D-10-0.76379778D-12 0.47543784D+00
-0.55998739D-13-0.47543784D+00-0.40450912D+00-0.15723059D-12 0.40450912D+00
-0.20354759D+00 0.23444414D-11 0.20354759D+00 0.46584557D+00 0.26741998D-12
-0.46584557D+00-0.94828653D-01 0.14564230D-13 0.94828653D-01-0.26189257D+00
0.41024367D-13 0.26189257D+00-0.65567238D-02 0.46319274D-13 0.65567238D-02
-0.83960050D-13-0.20274241D-11 0.14440043D-10 0.76379778D-12 0.47543784D+00
-0.55998739D-13 0.47543784D+00-0.40450912D+00-0.15723059D-12-0.40450912D+00
-0.20354759D+00 0.23444414D-11-0.20354759D+00-0.46584557D+00-0.26741998D-12
0.46584557D+00 0.94828653D-01 0.14564230D-13 0.94828653D-01 0.26189257D+00
-0.41024367D-13-0.26189257D+00 0.65567238D-02 0.46319274D-13 0.65567238D-02
136 Alpha MO OE= 0.56361675D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.55425252D-13 0.00000000D+00 0.00000000D+00 0.11714531D-11 0.00000000D+00
0.00000000D+00-0.25553071D-11 0.00000000D+00 0.00000000D+00-0.25882107D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.10851798D-13 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.51282737D-12 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.39331755D-12
-0.11703760D-12 0.00000000D+00 0.00000000D+00 0.13892089D+01 0.00000000D+00
0.00000000D+00-0.13892089D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.34385880D-12 0.00000000D+00 0.00000000D+00-0.84038596D+00 0.00000000D+00
0.00000000D+00 0.84038596D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.63285519D-14-0.51252676D-12 0.17993529D-11 0.17038341D-12-0.19497562D-13
-0.47543784D+00 0.47543784D+00 0.19708409D-12 0.40450912D+00-0.40450912D+00
-0.17237117D-12 0.20354759D+00-0.20354759D+00-0.64007313D-13 0.46584557D+00
-0.46584557D+00 0.94828653D-01-0.94828653D-01-0.20701409D-13 0.60755939D-14
-0.26189257D+00 0.26189257D+00 0.65567238D-02-0.65567238D-02 0.14525589D-13
0.63285519D-14 0.51252676D-12-0.17993529D-11-0.17038341D-12-0.19497562D-13
-0.47543784D+00-0.47543784D+00 0.19708409D-12 0.40450912D+00 0.40450912D+00
-0.17237117D-12 0.20354759D+00 0.20354759D+00 0.64007313D-13-0.46584557D+00
0.46584557D+00-0.94828653D-01-0.94828653D-01-0.20701409D-13-0.60755939D-14
0.26189257D+00-0.26189257D+00-0.65567238D-02-0.65567238D-02 0.14525589D-13
0.63285519D-14 0.51252676D-12-0.17993529D-11-0.17038341D-12-0.19497562D-13
0.47543784D+00 0.47543784D+00 0.19708409D-12-0.40450912D+00-0.40450912D+00
-0.17237117D-12-0.20354759D+00-0.20354759D+00 0.64007313D-13-0.46584557D+00
0.46584557D+00 0.94828653D-01 0.94828653D-01-0.20701409D-13-0.60755939D-14
0.26189257D+00-0.26189257D+00 0.65567238D-02 0.65567238D-02 0.14525589D-13
-0.63285519D-14-0.51252676D-12 0.17993529D-11 0.17038341D-12-0.19497562D-13
0.47543784D+00-0.47543784D+00 0.19708409D-12-0.40450912D+00 0.40450912D+00
-0.17237117D-12-0.20354759D+00 0.20354759D+00-0.64007313D-13 0.46584557D+00
-0.46584557D+00-0.94828653D-01 0.94828653D-01-0.20701409D-13 0.60755939D-14
-0.26189257D+00 0.26189257D+00-0.65567238D-02 0.65567238D-02 0.14525589D-13
137 Alpha MO OE= 0.56361675D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.86499661D-14 0.00000000D+00 0.00000000D+00
-0.67816584D-12 0.00000000D+00 0.00000000D+00 0.26720836D-11 0.00000000D+00
0.00000000D+00 0.16832125D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.60966846D-13 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.12475764D-12 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.45316197D-12 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.53812094D-13 0.00000000D+00 0.00000000D+00
0.13892089D+01 0.00000000D+00 0.00000000D+00-0.13892089D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.67156146D-12 0.00000000D+00 0.00000000D+00
-0.84038596D+00 0.00000000D+00 0.00000000D+00 0.84038596D+00 0.00000000D+00
-0.62463933D-14 0.10053409D-12-0.21896976D-11-0.11963656D-12-0.47543784D+00
0.47543784D+00-0.38135328D-13 0.40450912D+00-0.40450912D+00 0.99430463D-13
0.20354759D+00-0.20354759D+00 0.33939060D-12 0.46584557D+00-0.46584557D+00
0.83263802D-14 0.16126251D-13 0.94828653D-01-0.94828653D-01-0.26189257D+00
0.26189257D+00-0.39240211D-13 0.30116569D-13 0.65567238D-02-0.65567238D-02
-0.62463933D-14 0.10053409D-12-0.21896976D-11-0.11963656D-12 0.47543784D+00
-0.47543784D+00-0.38135328D-13-0.40450912D+00 0.40450912D+00 0.99430463D-13
-0.20354759D+00 0.20354759D+00 0.33939060D-12 0.46584557D+00-0.46584557D+00
0.83263802D-14 0.16126251D-13-0.94828653D-01 0.94828653D-01-0.26189257D+00
0.26189257D+00-0.39240211D-13 0.30116569D-13-0.65567238D-02 0.65567238D-02
0.62463933D-14-0.10053409D-12 0.21896976D-11 0.11963656D-12-0.47543784D+00
-0.47543784D+00-0.38135328D-13 0.40450912D+00 0.40450912D+00 0.99430463D-13
0.20354759D+00 0.20354759D+00 0.33939060D-12-0.46584557D+00 0.46584557D+00
-0.83263802D-14 0.16126251D-13-0.94828653D-01-0.94828653D-01 0.26189257D+00
-0.26189257D+00 0.39240211D-13 0.30116569D-13-0.65567238D-02-0.65567238D-02
0.62463933D-14-0.10053409D-12 0.21896976D-11 0.11963656D-12 0.47543784D+00
0.47543784D+00-0.38135328D-13-0.40450912D+00-0.40450912D+00 0.99430463D-13
-0.20354759D+00-0.20354759D+00 0.33939060D-12-0.46584557D+00 0.46584557D+00
-0.83263802D-14 0.16126251D-13 0.94828653D-01 0.94828653D-01 0.26189257D+00
-0.26189257D+00 0.39240211D-13 0.30116569D-13 0.65567238D-02 0.65567238D-02
138 Alpha MO OE= 0.58137258D+01
0.12588900D-12 0.21865193D-12 0.28342995D-11-0.13334384D-09 0.72532838D-11
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.20425259D-01-0.52863071D+00 0.54905596D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.14055105D+00-0.36376331D+01
0.37781842D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.22709695D-01
-0.58775472D+00 0.61046441D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.24271620D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.11890092D-11
-0.24134185D-14 0.10106022D-12 0.40512562D-10-0.23732766D-12-0.59373007D-03
-0.15366461D-01 0.15960191D-01 0.50877693D-01 0.13167770D+01-0.13676547D+01
0.11847737D-01 0.30663394D+00-0.31848168D+00-0.17285729D-01-0.44737582D+00
0.46466155D+00-0.50608008D+00 0.48725356D+00 0.18826527D-01-0.10346862D-01
-0.26778946D+00 0.27813632D+00-0.22258008D+00 0.21429995D+00 0.82801319D-02
-0.24134185D-14 0.10106022D-12 0.40512562D-10-0.23732766D-12 0.59373007D-03
0.15366461D-01 0.15960191D-01-0.50877693D-01-0.13167770D+01-0.13676547D+01
-0.11847737D-01-0.30663394D+00-0.31848168D+00-0.17285729D-01-0.44737582D+00
0.46466155D+00-0.50608008D+00-0.48725356D+00-0.18826527D-01-0.10346862D-01
-0.26778946D+00 0.27813632D+00-0.22258008D+00-0.21429995D+00-0.82801319D-02
-0.24134185D-14 0.10106022D-12 0.40512562D-10-0.23732766D-12 0.59373007D-03
-0.15366461D-01-0.15960191D-01-0.50877693D-01 0.13167770D+01 0.13676547D+01
-0.11847737D-01 0.30663394D+00 0.31848168D+00-0.17285729D-01-0.44737582D+00
0.46466155D+00 0.50608008D+00 0.48725356D+00-0.18826527D-01-0.10346862D-01
-0.26778946D+00 0.27813632D+00 0.22258008D+00 0.21429995D+00-0.82801319D-02
-0.24134185D-14 0.10106022D-12 0.40512562D-10-0.23732766D-12-0.59373007D-03
0.15366461D-01-0.15960191D-01 0.50877693D-01-0.13167770D+01 0.13676547D+01
0.11847737D-01-0.30663394D+00 0.31848168D+00-0.17285729D-01-0.44737582D+00
0.46466155D+00 0.50608008D+00-0.48725356D+00 0.18826527D-01-0.10346862D-01
-0.26778946D+00 0.27813632D+00 0.22258008D+00-0.21429995D+00 0.82801319D-02
139 Alpha MO OE= 0.58137258D+01
0.32918385D-12 0.11981389D-11 0.71246478D-11-0.34883360D-09 0.19340337D-10
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.62220269D+00-0.32879014D+00-0.29341255D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.42815241D+01-0.22624828D+01
-0.20190413D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.69179214D+00
-0.36556324D+00-0.32622890D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.74803272D-12
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.30253833D-11
-0.10250533D-12 0.10178171D-12 0.10852602D-09-0.65411952D-12 0.18086451D-01
-0.95574109D-02-0.85290403D-02-0.15498573D+01 0.81899005D+00 0.73086730D+00
-0.36091067D+00 0.19071578D+00 0.17019490D+00 0.52656502D+00-0.27825239D+00
-0.24831263D+00 0.27044647D+00 0.30305497D+00-0.57350145D+00 0.31519040D+00
-0.16655584D+00-0.14863455D+00 0.11894560D+00 0.13328721D+00-0.25223281D+00
-0.10250533D-12 0.10178171D-12 0.10852602D-09-0.65411952D-12-0.18086451D-01
0.95574109D-02-0.85290403D-02 0.15498573D+01-0.81899005D+00 0.73086730D+00
0.36091067D+00-0.19071578D+00 0.17019490D+00 0.52656502D+00-0.27825239D+00
-0.24831263D+00 0.27044647D+00-0.30305497D+00 0.57350145D+00 0.31519040D+00
-0.16655584D+00-0.14863455D+00 0.11894560D+00-0.13328721D+00 0.25223281D+00
-0.10250533D-12 0.10178171D-12 0.10852602D-09-0.65411952D-12-0.18086451D-01
-0.95574109D-02 0.85290403D-02 0.15498573D+01 0.81899005D+00-0.73086730D+00
0.36091067D+00 0.19071578D+00-0.17019490D+00 0.52656502D+00-0.27825239D+00
-0.24831263D+00-0.27044647D+00 0.30305497D+00 0.57350145D+00 0.31519040D+00
-0.16655584D+00-0.14863455D+00-0.11894560D+00 0.13328721D+00 0.25223281D+00
-0.10250533D-12 0.10178171D-12 0.10852602D-09-0.65411952D-12 0.18086451D-01
0.95574109D-02 0.85290403D-02-0.15498573D+01-0.81899005D+00-0.73086730D+00
-0.36091067D+00-0.19071578D+00-0.17019490D+00 0.52656502D+00-0.27825239D+00
-0.24831263D+00-0.27044647D+00-0.30305497D+00-0.57350145D+00 0.31519040D+00
-0.16655584D+00-0.14863455D+00-0.11894560D+00-0.13328721D+00-0.25223281D+00
140 Alpha MO OE= 0.58335757D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.91047592D-01 0.00000000D+00 0.00000000D+00-0.33517467D+01 0.00000000D+00
0.00000000D+00 0.84588691D+01 0.00000000D+00 0.00000000D+00 0.22352723D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.42084649D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.39507772D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.62864914D+00
0.48639464D+00 0.00000000D+00 0.00000000D+00-0.64711960D+00 0.00000000D+00
0.00000000D+00-0.64711960D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.21311534D+01 0.00000000D+00 0.00000000D+00-0.19822544D+01 0.00000000D+00
0.00000000D+00-0.19822544D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.30934006D+00 0.57384532D+01-0.22366731D+01-0.22667702D+00-0.17378109D+00
-0.47095737D-02-0.47095737D-02-0.11392029D+01-0.36742486D+00-0.36742486D+00
0.35748158D-01 0.52233425D+00 0.52233425D+00-0.52586933D+00-0.98829514D+00
-0.98829514D+00 0.16496749D+00 0.16496749D+00-0.29054552D+00-0.93268591D+00
-0.97972187D+00-0.97972187D+00 0.72472524D-01 0.72472524D-01 0.50097964D-01
0.30934006D+00-0.57384532D+01 0.22366731D+01 0.22667702D+00-0.17378109D+00
-0.47095737D-02 0.47095737D-02-0.11392029D+01-0.36742486D+00 0.36742486D+00
0.35748158D-01 0.52233425D+00-0.52233425D+00 0.52586933D+00 0.98829514D+00
0.98829514D+00-0.16496749D+00 0.16496749D+00-0.29054552D+00 0.93268591D+00
0.97972187D+00 0.97972187D+00-0.72472524D-01 0.72472524D-01 0.50097964D-01
0.30934006D+00-0.57384532D+01 0.22366731D+01 0.22667702D+00-0.17378109D+00
0.47095737D-02-0.47095737D-02-0.11392029D+01 0.36742486D+00-0.36742486D+00
0.35748158D-01-0.52233425D+00 0.52233425D+00 0.52586933D+00 0.98829514D+00
0.98829514D+00 0.16496749D+00-0.16496749D+00-0.29054552D+00 0.93268591D+00
0.97972187D+00 0.97972187D+00 0.72472524D-01-0.72472524D-01 0.50097964D-01
-0.30934006D+00 0.57384532D+01-0.22366731D+01-0.22667702D+00-0.17378109D+00
0.47095737D-02 0.47095737D-02-0.11392029D+01 0.36742486D+00 0.36742486D+00
0.35748158D-01-0.52233425D+00-0.52233425D+00-0.52586933D+00-0.98829514D+00
-0.98829514D+00-0.16496749D+00-0.16496749D+00-0.29054552D+00-0.93268591D+00
-0.97972187D+00-0.97972187D+00-0.72472524D-01-0.72472524D-01 0.50097964D-01
141 Alpha MO OE= 0.58335757D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.91047592D-01 0.00000000D+00 0.00000000D+00-0.33517467D+01
0.00000000D+00 0.00000000D+00 0.84588691D+01 0.00000000D+00 0.00000000D+00
0.22352723D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.42084649D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.39507772D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.62864914D+00 0.00000000D+00
0.00000000D+00 0.48639464D+00 0.00000000D+00 0.00000000D+00-0.64711960D+00
0.00000000D+00 0.00000000D+00-0.64711960D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.21311534D+01 0.00000000D+00 0.00000000D+00-0.19822544D+01
0.00000000D+00 0.00000000D+00-0.19822544D+01 0.00000000D+00 0.00000000D+00
-0.30934006D+00 0.57384532D+01-0.22366731D+01-0.22667702D+00-0.47095737D-02
-0.17378109D+00-0.47095737D-02-0.36742486D+00-0.11392029D+01-0.36742486D+00
0.52233425D+00 0.35748158D-01 0.52233425D+00-0.98829514D+00-0.52586933D+00
-0.98829514D+00 0.16496749D+00-0.29054552D+00 0.16496749D+00-0.97972187D+00
-0.93268591D+00-0.97972187D+00 0.72472524D-01 0.50097964D-01 0.72472524D-01
0.30934006D+00-0.57384532D+01 0.22366731D+01 0.22667702D+00-0.47095737D-02
-0.17378109D+00 0.47095737D-02-0.36742486D+00-0.11392029D+01 0.36742486D+00
0.52233425D+00 0.35748158D-01-0.52233425D+00 0.98829514D+00 0.52586933D+00
0.98829514D+00-0.16496749D+00-0.29054552D+00 0.16496749D+00 0.97972187D+00
0.93268591D+00 0.97972187D+00-0.72472524D-01 0.50097964D-01 0.72472524D-01
-0.30934006D+00 0.57384532D+01-0.22366731D+01-0.22667702D+00 0.47095737D-02
-0.17378109D+00 0.47095737D-02 0.36742486D+00-0.11392029D+01 0.36742486D+00
-0.52233425D+00 0.35748158D-01-0.52233425D+00-0.98829514D+00-0.52586933D+00
-0.98829514D+00-0.16496749D+00-0.29054552D+00-0.16496749D+00-0.97972187D+00
-0.93268591D+00-0.97972187D+00-0.72472524D-01 0.50097964D-01-0.72472524D-01
0.30934006D+00-0.57384532D+01 0.22366731D+01 0.22667702D+00 0.47095737D-02
-0.17378109D+00-0.47095737D-02 0.36742486D+00-0.11392029D+01-0.36742486D+00
-0.52233425D+00 0.35748158D-01 0.52233425D+00 0.98829514D+00 0.52586933D+00
0.98829514D+00 0.16496749D+00-0.29054552D+00-0.16496749D+00 0.97972187D+00
0.93268591D+00 0.97972187D+00 0.72472524D-01 0.50097964D-01-0.72472524D-01
142 Alpha MO OE= 0.58335757D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.91047592D-01 0.00000000D+00 0.00000000D+00
-0.33517467D+01 0.00000000D+00 0.00000000D+00 0.84588691D+01 0.00000000D+00
0.00000000D+00 0.22352723D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.42084649D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.39507772D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.62864914D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.48639464D+00 0.00000000D+00 0.00000000D+00
-0.64711960D+00 0.00000000D+00 0.00000000D+00-0.64711960D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.21311534D+01 0.00000000D+00 0.00000000D+00
-0.19822544D+01 0.00000000D+00 0.00000000D+00-0.19822544D+01 0.00000000D+00
-0.30934006D+00 0.57384532D+01-0.22366731D+01-0.22667702D+00-0.47095737D-02
-0.47095737D-02-0.17378109D+00-0.36742486D+00-0.36742486D+00-0.11392029D+01
0.52233425D+00 0.52233425D+00 0.35748158D-01-0.98829514D+00-0.98829514D+00
-0.52586933D+00-0.29054552D+00 0.16496749D+00 0.16496749D+00-0.97972187D+00
-0.97972187D+00-0.93268591D+00 0.50097964D-01 0.72472524D-01 0.72472524D-01
-0.30934006D+00 0.57384532D+01-0.22366731D+01-0.22667702D+00 0.47095737D-02
0.47095737D-02-0.17378109D+00 0.36742486D+00 0.36742486D+00-0.11392029D+01
-0.52233425D+00-0.52233425D+00 0.35748158D-01-0.98829514D+00-0.98829514D+00
-0.52586933D+00-0.29054552D+00-0.16496749D+00-0.16496749D+00-0.97972187D+00
-0.97972187D+00-0.93268591D+00 0.50097964D-01-0.72472524D-01-0.72472524D-01
0.30934006D+00-0.57384532D+01 0.22366731D+01 0.22667702D+00-0.47095737D-02
0.47095737D-02-0.17378109D+00-0.36742486D+00 0.36742486D+00-0.11392029D+01
0.52233425D+00-0.52233425D+00 0.35748158D-01 0.98829514D+00 0.98829514D+00
0.52586933D+00-0.29054552D+00-0.16496749D+00 0.16496749D+00 0.97972187D+00
0.97972187D+00 0.93268591D+00 0.50097964D-01-0.72472524D-01 0.72472524D-01
0.30934006D+00-0.57384532D+01 0.22366731D+01 0.22667702D+00 0.47095737D-02
-0.47095737D-02-0.17378109D+00 0.36742486D+00-0.36742486D+00-0.11392029D+01
-0.52233425D+00 0.52233425D+00 0.35748158D-01 0.98829514D+00 0.98829514D+00
0.52586933D+00-0.29054552D+00 0.16496749D+00-0.16496749D+00 0.97972187D+00
0.97972187D+00 0.93268591D+00 0.50097964D-01 0.72472524D-01-0.72472524D-01
143 Alpha MO OE= 0.59462936D+01
-0.14028170D+00-0.18674595D+00 0.25460496D+01-0.53214484D+01 0.59663683D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.67440621D+00 0.67440621D+00 0.67440621D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.27465219D+01 0.27465219D+01
0.27465219D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.42477689D+01
-0.42477689D+01-0.42477689D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.71410236D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.18172321D+01
0.23012403D+00-0.56942013D+01 0.87848188D+01-0.16836439D-01-0.16547820D+00
-0.16547820D+00-0.16547820D+00 0.10165297D+01 0.10165297D+01 0.10165297D+01
-0.74708186D+00-0.74708186D+00-0.74708186D+00-0.59817376D+00-0.59817376D+00
-0.59817376D+00-0.25108879D+00-0.25108879D+00-0.25108879D+00-0.14750884D+01
-0.14750884D+01-0.14750884D+01 0.21514195D+00 0.21514195D+00 0.21514195D+00
0.23012403D+00-0.56942013D+01 0.87848188D+01-0.16836439D-01 0.16547820D+00
0.16547820D+00-0.16547820D+00-0.10165297D+01-0.10165297D+01 0.10165297D+01
0.74708186D+00 0.74708186D+00-0.74708186D+00-0.59817376D+00-0.59817376D+00
-0.59817376D+00-0.25108879D+00 0.25108879D+00 0.25108879D+00-0.14750884D+01
-0.14750884D+01-0.14750884D+01 0.21514195D+00-0.21514195D+00-0.21514195D+00
0.23012403D+00-0.56942013D+01 0.87848188D+01-0.16836439D-01 0.16547820D+00
-0.16547820D+00 0.16547820D+00-0.10165297D+01 0.10165297D+01-0.10165297D+01
0.74708186D+00-0.74708186D+00 0.74708186D+00-0.59817376D+00-0.59817376D+00
-0.59817376D+00 0.25108879D+00-0.25108879D+00 0.25108879D+00-0.14750884D+01
-0.14750884D+01-0.14750884D+01-0.21514195D+00 0.21514195D+00-0.21514195D+00
0.23012403D+00-0.56942013D+01 0.87848188D+01-0.16836439D-01-0.16547820D+00
0.16547820D+00 0.16547820D+00 0.10165297D+01-0.10165297D+01-0.10165297D+01
-0.74708186D+00 0.74708186D+00 0.74708186D+00-0.59817376D+00-0.59817376D+00
-0.59817376D+00 0.25108879D+00 0.25108879D+00-0.25108879D+00-0.14750884D+01
-0.14750884D+01-0.14750884D+01-0.21514195D+00-0.21514195D+00 0.21514195D+00
144 Alpha MO OE= 0.66932423D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.42553409D+00 0.00000000D+00 0.00000000D+00 0.17311473D+02
0.00000000D+00 0.00000000D+00-0.15905748D+02 0.00000000D+00 0.00000000D+00
-0.53581632D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.13173026D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.57507738D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.18132926D+01 0.00000000D+00
0.00000000D+00 0.11050972D+01 0.00000000D+00 0.00000000D+00 0.49114248D+00
0.00000000D+00 0.00000000D+00 0.49114248D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.71620996D+01 0.00000000D+00 0.00000000D+00 0.31886782D+01
0.00000000D+00 0.00000000D+00 0.31886782D+01 0.00000000D+00 0.00000000D+00
0.12470302D+01-0.13794412D+02 0.59649836D+01 0.28505956D+00 0.47383782D-01
0.55194005D-01 0.47383782D-01 0.39851662D+01 0.27510408D+01 0.39851662D+01
-0.63036512D+00-0.16539054D+00-0.63036512D+00 0.54614598D+00 0.72869714D+00
0.54614598D+00-0.49627174D+00-0.83371973D+00-0.49627174D+00 0.69488876D+00
0.99804361D+00 0.69488876D+00-0.36641186D+00-0.75764103D+00-0.36641186D+00
-0.12470302D+01 0.13794412D+02-0.59649836D+01-0.28505956D+00 0.47383782D-01
0.55194005D-01-0.47383782D-01 0.39851662D+01 0.27510408D+01-0.39851662D+01
-0.63036512D+00-0.16539054D+00 0.63036512D+00-0.54614598D+00-0.72869714D+00
-0.54614598D+00 0.49627174D+00-0.83371973D+00-0.49627174D+00-0.69488876D+00
-0.99804361D+00-0.69488876D+00 0.36641186D+00-0.75764103D+00-0.36641186D+00
0.12470302D+01-0.13794412D+02 0.59649836D+01 0.28505956D+00-0.47383782D-01
0.55194005D-01-0.47383782D-01-0.39851662D+01 0.27510408D+01-0.39851662D+01
0.63036512D+00-0.16539054D+00 0.63036512D+00 0.54614598D+00 0.72869714D+00
0.54614598D+00 0.49627174D+00-0.83371973D+00 0.49627174D+00 0.69488876D+00
0.99804361D+00 0.69488876D+00 0.36641186D+00-0.75764103D+00 0.36641186D+00
-0.12470302D+01 0.13794412D+02-0.59649836D+01-0.28505956D+00-0.47383782D-01
0.55194005D-01 0.47383782D-01-0.39851662D+01 0.27510408D+01 0.39851662D+01
0.63036512D+00-0.16539054D+00-0.63036512D+00-0.54614598D+00-0.72869714D+00
-0.54614598D+00-0.49627174D+00-0.83371973D+00 0.49627174D+00-0.69488876D+00
-0.99804361D+00-0.69488876D+00-0.36641186D+00-0.75764103D+00 0.36641186D+00
145 Alpha MO OE= 0.66932423D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.42553409D+00 0.00000000D+00 0.00000000D+00
0.17311473D+02 0.00000000D+00 0.00000000D+00-0.15905748D+02 0.00000000D+00
0.00000000D+00-0.53581632D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.13173026D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.57507738D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.18132926D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.11050972D+01 0.00000000D+00 0.00000000D+00
0.49114248D+00 0.00000000D+00 0.00000000D+00 0.49114248D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.71620996D+01 0.00000000D+00 0.00000000D+00
0.31886782D+01 0.00000000D+00 0.00000000D+00 0.31886782D+01 0.00000000D+00
0.12470302D+01-0.13794412D+02 0.59649836D+01 0.28505956D+00 0.47383782D-01
0.47383782D-01 0.55194005D-01 0.39851662D+01 0.39851662D+01 0.27510408D+01
-0.63036512D+00-0.63036512D+00-0.16539054D+00 0.54614598D+00 0.54614598D+00
0.72869714D+00-0.83371973D+00-0.49627174D+00-0.49627174D+00 0.69488876D+00
0.69488876D+00 0.99804361D+00-0.75764103D+00-0.36641186D+00-0.36641186D+00
0.12470302D+01-0.13794412D+02 0.59649836D+01 0.28505956D+00-0.47383782D-01
-0.47383782D-01 0.55194005D-01-0.39851662D+01-0.39851662D+01 0.27510408D+01
0.63036512D+00 0.63036512D+00-0.16539054D+00 0.54614598D+00 0.54614598D+00
0.72869714D+00-0.83371973D+00 0.49627174D+00 0.49627174D+00 0.69488876D+00
0.69488876D+00 0.99804361D+00-0.75764103D+00 0.36641186D+00 0.36641186D+00
-0.12470302D+01 0.13794412D+02-0.59649836D+01-0.28505956D+00 0.47383782D-01
-0.47383782D-01 0.55194005D-01 0.39851662D+01-0.39851662D+01 0.27510408D+01
-0.63036512D+00 0.63036512D+00-0.16539054D+00-0.54614598D+00-0.54614598D+00
-0.72869714D+00-0.83371973D+00 0.49627174D+00-0.49627174D+00-0.69488876D+00
-0.69488876D+00-0.99804361D+00-0.75764103D+00 0.36641186D+00-0.36641186D+00
-0.12470302D+01 0.13794412D+02-0.59649836D+01-0.28505956D+00-0.47383782D-01
0.47383782D-01 0.55194005D-01-0.39851662D+01 0.39851662D+01 0.27510408D+01
0.63036512D+00-0.63036512D+00-0.16539054D+00-0.54614598D+00-0.54614598D+00
-0.72869714D+00-0.83371973D+00-0.49627174D+00 0.49627174D+00-0.69488876D+00
-0.69488876D+00-0.99804361D+00-0.75764103D+00-0.36641186D+00 0.36641186D+00
146 Alpha MO OE= 0.66932423D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.42553409D+00 0.00000000D+00 0.00000000D+00 0.17311473D+02 0.00000000D+00
0.00000000D+00-0.15905748D+02 0.00000000D+00 0.00000000D+00-0.53581632D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.13173026D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.57507738D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.18132926D+01
0.11050972D+01 0.00000000D+00 0.00000000D+00 0.49114248D+00 0.00000000D+00
0.00000000D+00 0.49114248D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.71620996D+01 0.00000000D+00 0.00000000D+00 0.31886782D+01 0.00000000D+00
0.00000000D+00 0.31886782D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.12470302D+01-0.13794412D+02 0.59649836D+01 0.28505956D+00 0.55194005D-01
0.47383782D-01 0.47383782D-01 0.27510408D+01 0.39851662D+01 0.39851662D+01
-0.16539054D+00-0.63036512D+00-0.63036512D+00 0.72869714D+00 0.54614598D+00
0.54614598D+00-0.49627174D+00-0.49627174D+00-0.83371973D+00 0.99804361D+00
0.69488876D+00 0.69488876D+00-0.36641186D+00-0.36641186D+00-0.75764103D+00
-0.12470302D+01 0.13794412D+02-0.59649836D+01-0.28505956D+00 0.55194005D-01
0.47383782D-01-0.47383782D-01 0.27510408D+01 0.39851662D+01-0.39851662D+01
-0.16539054D+00-0.63036512D+00 0.63036512D+00-0.72869714D+00-0.54614598D+00
-0.54614598D+00 0.49627174D+00-0.49627174D+00-0.83371973D+00-0.99804361D+00
-0.69488876D+00-0.69488876D+00 0.36641186D+00-0.36641186D+00-0.75764103D+00
-0.12470302D+01 0.13794412D+02-0.59649836D+01-0.28505956D+00 0.55194005D-01
-0.47383782D-01 0.47383782D-01 0.27510408D+01-0.39851662D+01 0.39851662D+01
-0.16539054D+00 0.63036512D+00-0.63036512D+00-0.72869714D+00-0.54614598D+00
-0.54614598D+00-0.49627174D+00 0.49627174D+00-0.83371973D+00-0.99804361D+00
-0.69488876D+00-0.69488876D+00-0.36641186D+00 0.36641186D+00-0.75764103D+00
0.12470302D+01-0.13794412D+02 0.59649836D+01 0.28505956D+00 0.55194005D-01
-0.47383782D-01-0.47383782D-01 0.27510408D+01-0.39851662D+01-0.39851662D+01
-0.16539054D+00 0.63036512D+00 0.63036512D+00 0.72869714D+00 0.54614598D+00
0.54614598D+00 0.49627174D+00 0.49627174D+00-0.83371973D+00 0.99804361D+00
0.69488876D+00 0.69488876D+00 0.36641186D+00 0.36641186D+00-0.75764103D+00
147 Alpha MO OE= 0.73846327D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.37039536D-01 0.00000000D+00 0.00000000D+00 0.47949866D+01 0.00000000D+00
0.00000000D+00 0.40825433D+01 0.00000000D+00 0.00000000D+00-0.24064574D-01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.14047209D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.75356558D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12612951D+01
-0.77391650D+00 0.00000000D+00 0.00000000D+00 0.13768559D+01 0.00000000D+00
0.00000000D+00 0.13768559D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.15104431D+01 0.00000000D+00 0.00000000D+00 0.16019523D+01 0.00000000D+00
0.00000000D+00 0.16019523D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.12965837D+01-0.40682672D+01-0.19909216D+01-0.74528602D-01 0.63306822D+00
0.57137630D+00 0.57137630D+00 0.22791037D+01 0.40723890D+00 0.40723890D+00
0.52817003D+00 0.14892763D+00 0.14892763D+00-0.12601095D+01-0.86402942D+00
-0.86402942D+00-0.35439800D+00-0.35439800D+00-0.30110141D-01-0.89746893D+00
-0.48927001D+00-0.48927001D+00-0.89240412D-01-0.89240412D-01 0.34591756D+00
0.12965837D+01 0.40682672D+01 0.19909216D+01 0.74528602D-01 0.63306822D+00
0.57137630D+00-0.57137630D+00 0.22791037D+01 0.40723890D+00-0.40723890D+00
0.52817003D+00 0.14892763D+00-0.14892763D+00 0.12601095D+01 0.86402942D+00
0.86402942D+00 0.35439800D+00-0.35439800D+00-0.30110141D-01 0.89746893D+00
0.48927001D+00 0.48927001D+00 0.89240412D-01-0.89240412D-01 0.34591756D+00
0.12965837D+01 0.40682672D+01 0.19909216D+01 0.74528602D-01 0.63306822D+00
-0.57137630D+00 0.57137630D+00 0.22791037D+01-0.40723890D+00 0.40723890D+00
0.52817003D+00-0.14892763D+00 0.14892763D+00 0.12601095D+01 0.86402942D+00
0.86402942D+00-0.35439800D+00 0.35439800D+00-0.30110141D-01 0.89746893D+00
0.48927001D+00 0.48927001D+00-0.89240412D-01 0.89240412D-01 0.34591756D+00
-0.12965837D+01-0.40682672D+01-0.19909216D+01-0.74528602D-01 0.63306822D+00
-0.57137630D+00-0.57137630D+00 0.22791037D+01-0.40723890D+00-0.40723890D+00
0.52817003D+00-0.14892763D+00-0.14892763D+00-0.12601095D+01-0.86402942D+00
-0.86402942D+00 0.35439800D+00 0.35439800D+00-0.30110141D-01-0.89746893D+00
-0.48927001D+00-0.48927001D+00 0.89240412D-01 0.89240412D-01 0.34591756D+00
148 Alpha MO OE= 0.73846327D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.37039536D-01 0.00000000D+00 0.00000000D+00 0.47949866D+01
0.00000000D+00 0.00000000D+00 0.40825433D+01 0.00000000D+00 0.00000000D+00
-0.24064574D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.14047209D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.75356558D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.12612951D+01 0.00000000D+00
0.00000000D+00-0.77391650D+00 0.00000000D+00 0.00000000D+00 0.13768559D+01
0.00000000D+00 0.00000000D+00 0.13768559D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.15104431D+01 0.00000000D+00 0.00000000D+00 0.16019523D+01
0.00000000D+00 0.00000000D+00 0.16019523D+01 0.00000000D+00 0.00000000D+00
-0.12965837D+01-0.40682672D+01-0.19909216D+01-0.74528602D-01 0.57137630D+00
0.63306822D+00 0.57137630D+00 0.40723890D+00 0.22791037D+01 0.40723890D+00
0.14892763D+00 0.52817003D+00 0.14892763D+00-0.86402942D+00-0.12601095D+01
-0.86402942D+00-0.35439800D+00-0.30110141D-01-0.35439800D+00-0.48927001D+00
-0.89746893D+00-0.48927001D+00-0.89240412D-01 0.34591756D+00-0.89240412D-01
0.12965837D+01 0.40682672D+01 0.19909216D+01 0.74528602D-01 0.57137630D+00
0.63306822D+00-0.57137630D+00 0.40723890D+00 0.22791037D+01-0.40723890D+00
0.14892763D+00 0.52817003D+00-0.14892763D+00 0.86402942D+00 0.12601095D+01
0.86402942D+00 0.35439800D+00-0.30110141D-01-0.35439800D+00 0.48927001D+00
0.89746893D+00 0.48927001D+00 0.89240412D-01 0.34591756D+00-0.89240412D-01
-0.12965837D+01-0.40682672D+01-0.19909216D+01-0.74528602D-01-0.57137630D+00
0.63306822D+00-0.57137630D+00-0.40723890D+00 0.22791037D+01-0.40723890D+00
-0.14892763D+00 0.52817003D+00-0.14892763D+00-0.86402942D+00-0.12601095D+01
-0.86402942D+00 0.35439800D+00-0.30110141D-01 0.35439800D+00-0.48927001D+00
-0.89746893D+00-0.48927001D+00 0.89240412D-01 0.34591756D+00 0.89240412D-01
0.12965837D+01 0.40682672D+01 0.19909216D+01 0.74528602D-01-0.57137630D+00
0.63306822D+00 0.57137630D+00-0.40723890D+00 0.22791037D+01 0.40723890D+00
-0.14892763D+00 0.52817003D+00 0.14892763D+00 0.86402942D+00 0.12601095D+01
0.86402942D+00-0.35439800D+00-0.30110141D-01 0.35439800D+00 0.48927001D+00
0.89746893D+00 0.48927001D+00-0.89240412D-01 0.34591756D+00 0.89240412D-01
149 Alpha MO OE= 0.73846327D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.37039536D-01 0.00000000D+00 0.00000000D+00
0.47949866D+01 0.00000000D+00 0.00000000D+00 0.40825433D+01 0.00000000D+00
0.00000000D+00-0.24064574D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.14047209D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.75356558D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.12612951D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.77391650D+00 0.00000000D+00 0.00000000D+00
0.13768559D+01 0.00000000D+00 0.00000000D+00 0.13768559D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.15104431D+01 0.00000000D+00 0.00000000D+00
0.16019523D+01 0.00000000D+00 0.00000000D+00 0.16019523D+01 0.00000000D+00
-0.12965837D+01-0.40682672D+01-0.19909216D+01-0.74528602D-01 0.57137630D+00
0.57137630D+00 0.63306822D+00 0.40723890D+00 0.40723890D+00 0.22791037D+01
0.14892763D+00 0.14892763D+00 0.52817003D+00-0.86402942D+00-0.86402942D+00
-0.12601095D+01-0.30110141D-01-0.35439800D+00-0.35439800D+00-0.48927001D+00
-0.48927001D+00-0.89746893D+00 0.34591756D+00-0.89240412D-01-0.89240412D-01
-0.12965837D+01-0.40682672D+01-0.19909216D+01-0.74528602D-01-0.57137630D+00
-0.57137630D+00 0.63306822D+00-0.40723890D+00-0.40723890D+00 0.22791037D+01
-0.14892763D+00-0.14892763D+00 0.52817003D+00-0.86402942D+00-0.86402942D+00
-0.12601095D+01-0.30110141D-01 0.35439800D+00 0.35439800D+00-0.48927001D+00
-0.48927001D+00-0.89746893D+00 0.34591756D+00 0.89240412D-01 0.89240412D-01
0.12965837D+01 0.40682672D+01 0.19909216D+01 0.74528602D-01 0.57137630D+00
-0.57137630D+00 0.63306822D+00 0.40723890D+00-0.40723890D+00 0.22791037D+01
0.14892763D+00-0.14892763D+00 0.52817003D+00 0.86402942D+00 0.86402942D+00
0.12601095D+01-0.30110141D-01 0.35439800D+00-0.35439800D+00 0.48927001D+00
0.48927001D+00 0.89746893D+00 0.34591756D+00 0.89240412D-01-0.89240412D-01
0.12965837D+01 0.40682672D+01 0.19909216D+01 0.74528602D-01-0.57137630D+00
0.57137630D+00 0.63306822D+00-0.40723890D+00 0.40723890D+00 0.22791037D+01
-0.14892763D+00 0.14892763D+00 0.52817003D+00 0.86402942D+00 0.86402942D+00
0.12601095D+01-0.30110141D-01-0.35439800D+00 0.35439800D+00 0.48927001D+00
0.48927001D+00 0.89746893D+00 0.34591756D+00-0.89240412D-01 0.89240412D-01
150 Alpha MO OE= 0.75840823D+01
-0.18005442D-01-0.11871569D+01 0.54413769D+01 0.63925970D+02-0.24020322D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.92635237D+00 0.92635237D+00 0.92635237D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.65595494D+01 0.65595494D+01
0.65595494D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.11051986D+02
0.11051986D+02 0.11051986D+02 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.18933365D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.32623869D+01
0.21156293D+01-0.10779080D+02-0.25486197D+02 0.76121994D-01-0.58224315D+00
-0.58224315D+00-0.58224315D+00 0.14652440D+01 0.14652440D+01 0.14652440D+01
0.26198645D+01 0.26198645D+01 0.26198645D+01 0.14309807D+01 0.14309807D+01
0.14309807D+01 0.86791377D-01 0.86791377D-01 0.86791377D-01 0.21072039D+01
0.21072039D+01 0.21072039D+01-0.34141779D-01-0.34141779D-01-0.34141779D-01
0.21156293D+01-0.10779080D+02-0.25486197D+02 0.76121994D-01 0.58224315D+00
0.58224315D+00-0.58224315D+00-0.14652440D+01-0.14652440D+01 0.14652440D+01
-0.26198645D+01-0.26198645D+01 0.26198645D+01 0.14309807D+01 0.14309807D+01
0.14309807D+01 0.86791377D-01-0.86791377D-01-0.86791377D-01 0.21072039D+01
0.21072039D+01 0.21072039D+01-0.34141779D-01 0.34141779D-01 0.34141779D-01
0.21156293D+01-0.10779080D+02-0.25486197D+02 0.76121994D-01 0.58224315D+00
-0.58224315D+00 0.58224315D+00-0.14652440D+01 0.14652440D+01-0.14652440D+01
-0.26198645D+01 0.26198645D+01-0.26198645D+01 0.14309807D+01 0.14309807D+01
0.14309807D+01-0.86791377D-01 0.86791377D-01-0.86791377D-01 0.21072039D+01
0.21072039D+01 0.21072039D+01 0.34141779D-01-0.34141779D-01 0.34141779D-01
0.21156293D+01-0.10779080D+02-0.25486197D+02 0.76121994D-01-0.58224315D+00
0.58224315D+00 0.58224315D+00 0.14652440D+01-0.14652440D+01-0.14652440D+01
0.26198645D+01-0.26198645D+01-0.26198645D+01 0.14309807D+01 0.14309807D+01
0.14309807D+01-0.86791377D-01-0.86791377D-01 0.86791377D-01 0.21072039D+01
0.21072039D+01 0.21072039D+01 0.34141779D-01 0.34141779D-01-0.34141779D-01
151 Alpha MO OE= 0.88824115D+01
-0.11693007D+00 0.86847604D+01-0.21287492D+01 0.33606456D+02 0.39905662D-03
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.40981598D+01-0.40981598D+01-0.40981598D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00-0.54987505D+01-0.54987505D+01
-0.54987505D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.37016482D+01
0.37016482D+01 0.37016482D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.36360361D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00-0.47692085D+00
0.65826645D-01 0.25508130D+01-0.10506371D+02-0.45349191D-01-0.14214891D+00
-0.14214891D+00-0.14214891D+00-0.27303493D+00-0.27303493D+00-0.27303493D+00
0.13412493D+01 0.13412493D+01 0.13412493D+01 0.17995200D+00 0.17995200D+00
0.17995200D+00 0.16743589D+00 0.16743589D+00 0.16743589D+00 0.52102488D+00
0.52102488D+00 0.52102488D+00-0.21031323D+00-0.21031323D+00-0.21031323D+00
0.65826645D-01 0.25508130D+01-0.10506371D+02-0.45349191D-01 0.14214891D+00
0.14214891D+00-0.14214891D+00 0.27303493D+00 0.27303493D+00-0.27303493D+00
-0.13412493D+01-0.13412493D+01 0.13412493D+01 0.17995200D+00 0.17995200D+00
0.17995200D+00 0.16743589D+00-0.16743589D+00-0.16743589D+00 0.52102488D+00
0.52102488D+00 0.52102488D+00-0.21031323D+00 0.21031323D+00 0.21031323D+00
0.65826645D-01 0.25508130D+01-0.10506371D+02-0.45349191D-01 0.14214891D+00
-0.14214891D+00 0.14214891D+00 0.27303493D+00-0.27303493D+00 0.27303493D+00
-0.13412493D+01 0.13412493D+01-0.13412493D+01 0.17995200D+00 0.17995200D+00
0.17995200D+00-0.16743589D+00 0.16743589D+00-0.16743589D+00 0.52102488D+00
0.52102488D+00 0.52102488D+00 0.21031323D+00-0.21031323D+00 0.21031323D+00
0.65826645D-01 0.25508130D+01-0.10506371D+02-0.45349191D-01-0.14214891D+00
0.14214891D+00 0.14214891D+00-0.27303493D+00 0.27303493D+00 0.27303493D+00
0.13412493D+01-0.13412493D+01-0.13412493D+01 0.17995200D+00 0.17995200D+00
0.17995200D+00-0.16743589D+00-0.16743589D+00 0.16743589D+00 0.52102488D+00
0.52102488D+00 0.52102488D+00 0.21031323D+00 0.21031323D+00-0.21031323D+00
152 Alpha MO OE= 0.10449534D+02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.48289346D+01 0.00000000D+00 0.00000000D+00
0.30917191D+02 0.00000000D+00 0.00000000D+00 0.17817770D+02 0.00000000D+00
0.00000000D+00 0.92199010D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.20079239D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.74785162D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.21275598D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.10298867D+02 0.00000000D+00 0.00000000D+00
-0.43307185D+01 0.00000000D+00 0.00000000D+00-0.43307185D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00-0.65429558D+01 0.00000000D+00 0.00000000D+00
-0.87953123D+00 0.00000000D+00 0.00000000D+00-0.87953123D+00 0.00000000D+00
0.21967864D+00-0.93004262D+01-0.13586737D+02-0.62609966D+00-0.76624827D-01
-0.76624827D-01-0.11204493D+00 0.21893283D+01 0.21893283D+01 0.27627985D+01
0.18618890D+01 0.18618890D+01 0.18380383D+01 0.91814498D-01 0.91814498D-01
-0.30650424D-01-0.93980158D-01-0.90744932D-01-0.90744932D-01 0.50087266D+00
0.50087266D+00 0.61347519D+00-0.32746500D+00-0.42471283D+00-0.42471283D+00
0.21967864D+00-0.93004262D+01-0.13586737D+02-0.62609966D+00 0.76624827D-01
0.76624827D-01-0.11204493D+00-0.21893283D+01-0.21893283D+01 0.27627985D+01
-0.18618890D+01-0.18618890D+01 0.18380383D+01 0.91814498D-01 0.91814498D-01
-0.30650424D-01-0.93980158D-01 0.90744932D-01 0.90744932D-01 0.50087266D+00
0.50087266D+00 0.61347519D+00-0.32746500D+00 0.42471283D+00 0.42471283D+00
-0.21967864D+00 0.93004262D+01 0.13586737D+02 0.62609966D+00-0.76624827D-01
0.76624827D-01-0.11204493D+00 0.21893283D+01-0.21893283D+01 0.27627985D+01
0.18618890D+01-0.18618890D+01 0.18380383D+01-0.91814498D-01-0.91814498D-01
0.30650424D-01-0.93980158D-01 0.90744932D-01-0.90744932D-01-0.50087266D+00
-0.50087266D+00-0.61347519D+00-0.32746500D+00 0.42471283D+00-0.42471283D+00
-0.21967864D+00 0.93004262D+01 0.13586737D+02 0.62609966D+00 0.76624827D-01
-0.76624827D-01-0.11204493D+00-0.21893283D+01 0.21893283D+01 0.27627985D+01
-0.18618890D+01 0.18618890D+01 0.18380383D+01-0.91814498D-01-0.91814498D-01
0.30650424D-01-0.93980158D-01-0.90744932D-01 0.90744932D-01-0.50087266D+00
-0.50087266D+00-0.61347519D+00-0.32746500D+00-0.42471283D+00 0.42471283D+00
153 Alpha MO OE= 0.10449534D+02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.48289346D+01 0.00000000D+00 0.00000000D+00 0.30917191D+02
0.00000000D+00 0.00000000D+00 0.17817770D+02 0.00000000D+00 0.00000000D+00
0.92199010D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.20079239D-01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.74785162D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21275598D+01 0.00000000D+00
0.00000000D+00-0.10298867D+02 0.00000000D+00 0.00000000D+00-0.43307185D+01
0.00000000D+00 0.00000000D+00-0.43307185D+01 0.00000000D+00 0.00000000D+00
0.00000000D+00-0.65429558D+01 0.00000000D+00 0.00000000D+00-0.87953123D+00
0.00000000D+00 0.00000000D+00-0.87953123D+00 0.00000000D+00 0.00000000D+00
0.21967864D+00-0.93004262D+01-0.13586737D+02-0.62609966D+00-0.76624827D-01
-0.11204493D+00-0.76624827D-01 0.21893283D+01 0.27627985D+01 0.21893283D+01
0.18618890D+01 0.18380383D+01 0.18618890D+01 0.91814498D-01-0.30650424D-01
0.91814498D-01-0.90744932D-01-0.93980158D-01-0.90744932D-01 0.50087266D+00
0.61347519D+00 0.50087266D+00-0.42471283D+00-0.32746500D+00-0.42471283D+00
-0.21967864D+00 0.93004262D+01 0.13586737D+02 0.62609966D+00-0.76624827D-01
-0.11204493D+00 0.76624827D-01 0.21893283D+01 0.27627985D+01-0.21893283D+01
0.18618890D+01 0.18380383D+01-0.18618890D+01-0.91814498D-01 0.30650424D-01
-0.91814498D-01 0.90744932D-01-0.93980158D-01-0.90744932D-01-0.50087266D+00
-0.61347519D+00-0.50087266D+00 0.42471283D+00-0.32746500D+00-0.42471283D+00
0.21967864D+00-0.93004262D+01-0.13586737D+02-0.62609966D+00 0.76624827D-01
-0.11204493D+00 0.76624827D-01-0.21893283D+01 0.27627985D+01-0.21893283D+01
-0.18618890D+01 0.18380383D+01-0.18618890D+01 0.91814498D-01-0.30650424D-01
0.91814498D-01 0.90744932D-01-0.93980158D-01 0.90744932D-01 0.50087266D+00
0.61347519D+00 0.50087266D+00 0.42471283D+00-0.32746500D+00 0.42471283D+00
-0.21967864D+00 0.93004262D+01 0.13586737D+02 0.62609966D+00 0.76624827D-01
-0.11204493D+00-0.76624827D-01-0.21893283D+01 0.27627985D+01 0.21893283D+01
-0.18618890D+01 0.18380383D+01 0.18618890D+01-0.91814498D-01 0.30650424D-01
-0.91814498D-01-0.90744932D-01-0.93980158D-01 0.90744932D-01-0.50087266D+00
-0.61347519D+00-0.50087266D+00-0.42471283D+00-0.32746500D+00 0.42471283D+00
154 Alpha MO OE= 0.10449534D+02
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.48289346D+01 0.00000000D+00 0.00000000D+00 0.30917191D+02 0.00000000D+00
0.00000000D+00 0.17817770D+02 0.00000000D+00 0.00000000D+00 0.92199010D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.20079239D-01 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.74785162D+01 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.21275598D+01
-0.10298867D+02 0.00000000D+00 0.00000000D+00-0.43307185D+01 0.00000000D+00
0.00000000D+00-0.43307185D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
-0.65429558D+01 0.00000000D+00 0.00000000D+00-0.87953123D+00 0.00000000D+00
0.00000000D+00-0.87953123D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.21967864D+00-0.93004262D+01-0.13586737D+02-0.62609966D+00-0.11204493D+00
-0.76624827D-01-0.76624827D-01 0.27627985D+01 0.21893283D+01 0.21893283D+01
0.18380383D+01 0.18618890D+01 0.18618890D+01-0.30650424D-01 0.91814498D-01
0.91814498D-01-0.90744932D-01-0.90744932D-01-0.93980158D-01 0.61347519D+00
0.50087266D+00 0.50087266D+00-0.42471283D+00-0.42471283D+00-0.32746500D+00
-0.21967864D+00 0.93004262D+01 0.13586737D+02 0.62609966D+00-0.11204493D+00
-0.76624827D-01 0.76624827D-01 0.27627985D+01 0.21893283D+01-0.21893283D+01
0.18380383D+01 0.18618890D+01-0.18618890D+01 0.30650424D-01-0.91814498D-01
-0.91814498D-01 0.90744932D-01-0.90744932D-01-0.93980158D-01-0.61347519D+00
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-0.21967864D+00 0.93004262D+01 0.13586737D+02 0.62609966D+00-0.11204493D+00
0.76624827D-01-0.76624827D-01 0.27627985D+01-0.21893283D+01 0.21893283D+01
0.18380383D+01-0.18618890D+01 0.18618890D+01 0.30650424D-01-0.91814498D-01
-0.91814498D-01-0.90744932D-01 0.90744932D-01-0.93980158D-01-0.61347519D+00
-0.50087266D+00-0.50087266D+00-0.42471283D+00 0.42471283D+00-0.32746500D+00
0.21967864D+00-0.93004262D+01-0.13586737D+02-0.62609966D+00-0.11204493D+00
0.76624827D-01 0.76624827D-01 0.27627985D+01-0.21893283D+01-0.21893283D+01
0.18380383D+01-0.18618890D+01-0.18618890D+01-0.30650424D-01 0.91814498D-01
0.91814498D-01 0.90744932D-01 0.90744932D-01-0.93980158D-01 0.61347519D+00
0.50087266D+00 0.50087266D+00 0.42471283D+00 0.42471283D+00-0.32746500D+00
155 Alpha MO OE= 0.31917183D+02
0.41907194D+01 0.31079578D+02-0.33597615D-01 0.45895424D+02-0.47871561D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
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0.00000000D+00 0.00000000D+00-0.31819798D+01-0.31819798D+01-0.31819798D+01
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.20148240D+01 0.20148240D+01
0.20148240D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.93472544D+01
0.93472544D+01 0.93472544D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.93715123D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00
0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.79879519D+00
0.35147414D+00-0.62264568D+01-0.19276396D+02 0.18119424D+00 0.68326855D-01
0.68326855D-01 0.68326855D-01 0.25482612D+01 0.25482612D+01 0.25482612D+01
0.25141020D+01 0.25141020D+01 0.25141020D+01 0.16976756D+00 0.16976756D+00
0.16976756D+00-0.18285435D+00-0.18285435D+00-0.18285435D+00 0.11797252D+01
0.11797252D+01 0.11797252D+01-0.73754766D+00-0.73754766D+00-0.73754766D+00
0.35147414D+00-0.62264568D+01-0.19276396D+02 0.18119424D+00-0.68326855D-01
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0.16976756D+00-0.18285435D+00 0.18285435D+00 0.18285435D+00 0.11797252D+01
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0.35147414D+00-0.62264568D+01-0.19276396D+02 0.18119424D+00-0.68326855D-01
0.68326855D-01-0.68326855D-01-0.25482612D+01 0.25482612D+01-0.25482612D+01
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0.16976756D+00 0.18285435D+00-0.18285435D+00 0.18285435D+00 0.11797252D+01
0.11797252D+01 0.11797252D+01 0.73754766D+00-0.73754766D+00 0.73754766D+00
0.35147414D+00-0.62264568D+01-0.19276396D+02 0.18119424D+00 0.68326855D-01
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0.25141020D+01-0.25141020D+01-0.25141020D+01 0.16976756D+00 0.16976756D+00
0.16976756D+00 0.18285435D+00 0.18285435D+00-0.18285435D+00 0.11797252D+01
0.11797252D+01 0.11797252D+01 0.73754766D+00 0.73754766D+00-0.73754766D+00