Entering Gaussian System, Link 0=g09
Input=H2O-RHF-mini.inp
Output=H2O-RHF-mini.log
Initial command:
/ghome/chihiro/gaussian/g09-d.01/l1.exe "/vhome/tmp/Gau-12439.inp" -scrdir="/vhome/tmp/"
Entering Link 1 = /ghome/chihiro/gaussian/g09-d.01/l1.exe PID= 12441.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
Gaussian, Inc. All Rights Reserved.
This is part of the Gaussian(R) 09 program. It is based on
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.
This software contains proprietary and confidential information,
including trade secrets, belonging to Gaussian, Inc.
This software is provided under written license and may be
used, copied, transmitted, or stored only in accord with that
written license.
The following legend is applicable only to US Government
contracts under FAR:
RESTRICTED RIGHTS LEGEND
Use, reproduction and disclosure by the US Government is
subject to restrictions as set forth in subparagraphs (a)
and (c) of the Commercial Computer Software - Restricted
Rights clause in FAR 52.227-19.
Gaussian, Inc.
340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
---------------------------------------------------------------
Warning -- This program may not be used in any manner that
competes with the business of Gaussian, Inc. or will provide
assistance to any competitor of Gaussian, Inc. The licensee
of this program is prohibited from giving any competitor of
Gaussian, Inc. access to this program. By using this program,
the user acknowledges that Gaussian, Inc. is engaged in the
business of creating and licensing software in the field of
computational chemistry and represents and warrants to the
licensee that it is not a competitor of Gaussian, Inc. and that
it will not use this program in any manner prohibited above.
---------------------------------------------------------------
Cite this work as:
Gaussian 09, Revision D.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
******************************************
Gaussian 09: EM64L-G09RevD.01 24-Apr-2013
8-Aug-2018
******************************************
%Chk=H2O-RHF-mini
%NprocShared=2
Will use up to 2 processors via shared memory.
----------------------------------------------------------------------
#P RHF/Gen Guess=Core 6D 10F SCF(Conventional) # Gfinput IOp(6/7=3,3/3
3=6) # ExtraLinks=L316 Symmetry=None # Units(Ang,Deg)
----------------------------------------------------------------------
1/38=1/1;
2/12=2,15=3,17=6,18=5,40=1/2;
3/5=7,8=22,11=1,16=1,24=10,25=20,28=1,30=1,33=6,116=1/1,2,3,20,16;
4/5=2/1;
5/5=1/2;
6/7=3,8=2,9=2,10=2,28=1/1;
99/5=1,9=1/99;
Leave Link 1 at Wed Aug 8 02:50:22 2018, MaxMem= 0 cpu: 0.1
(Enter /ghome/chihiro/gaussian/g09-d.01/l101.exe)
----------------------
water w/ all electrons
----------------------
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
O 0. 0. 0.1173
H 0. 0.7572 -0.4692
H 0. -0.7572 -0.4692
NAtoms= 3 NQM= 3 NQMF= 0 NMMI= 0 NMMIF= 0
NMic= 0 NMicF= 0.
Isotopes and Nuclear Properties:
(Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
in nuclear magnetons)
Atom 1 2 3
IAtWgt= 16 1 1
AtmWgt= 15.9949146 1.0078250 1.0078250
NucSpn= 0 1 1
AtZEff= 0.0000000 0.0000000 0.0000000
NQMom= 0.0000000 0.0000000 0.0000000
NMagM= 0.0000000 2.7928460 2.7928460
AtZNuc= 8.0000000 1.0000000 1.0000000
Leave Link 101 at Wed Aug 8 02:50:22 2018, MaxMem= 33554432 cpu: 0.1
(Enter /ghome/chihiro/gaussian/g09-d.01/l202.exe)
Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 8 0 0.000000 0.000000 0.117300
2 1 0 0.000000 0.757200 -0.469200
3 1 0 0.000000 -0.757200 -0.469200
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3
1 O 0.000000
2 H 0.957776 0.000000
3 H 0.957776 1.514400 0.000000
Symmetry turned off by external request.
Stoichiometry H2O
Rotational constants (GHZ): 820.7510136 437.3013788 285.2945967
Leave Link 202 at Wed Aug 8 02:50:22 2018, MaxMem= 33554432 cpu: 0.0
(Enter /ghome/chihiro/gaussian/g09-d.01/l301.exe)
General basis read from cards: (6D, 10F)
Coordinates in L301:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 8 0 0.000000 0.000000 0.117300
2 1 0 0.000000 0.757200 -0.469200
3 1 0 0.000000 -0.757200 -0.469200
---------------------------------------------------------------------
Centers: 2 3
S 3 1.00
Exponent= 4.5018000000D+00 Coefficients= 7.0452000000D-02
Exponent= 6.8144400000D-01 Coefficients= 4.0782600000D-01
Exponent= 1.5139800000D-01 Coefficients= 6.4775200000D-01
****
Centers: 1
S 3 1.00
Exponent= 2.8186658000D+02 Coefficients= 6.9060000000D-02
Exponent= 4.2416000000D+01 Coefficients= 3.9315900000D-01
Exponent= 9.0956200000D+00 Coefficients= 6.6566900000D-01
S 3 1.00
Exponent= 1.1466030000D+01 Coefficients= -8.0820000000D-02
Exponent= 8.8786000000D-01 Coefficients= 5.8209000000D-01
Exponent= 2.7880000000D-01 Coefficients= 4.9716000000D-01
P 3 1.00
Exponent= 8.0472400000D+00 Coefficients= 1.2427100000D-01
Exponent= 1.6684200000D+00 Coefficients= 4.7659400000D-01
Exponent= 3.7251000000D-01 Coefficients= 6.1304400000D-01
****
FixB: optimizing general contractions.
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
IA= 1 ShT= 0 ShC= 0 NL= 2 NS= 0.
I= 1 JX= 1 NP= 3
I= 2 JX= 2 NP= 3
IA= 1 L=0 SC=0 ISt= 1 NBk= 2 NP= 6 IndPr= 0.
DoElim1: L=0 select primitive 1 from 2 using 1 C= 6.91D-02
DoElim2: L=0 select primitive 5 from 1 using 2 C= 5.82D-01
Delete L=0 primitive 4 from 2 C= 0.00D+00.
Delete L=0 primitive 2 from 2 C= 0.00D+00.
Delete L=0 primitive 1 from 2 C= 0.00D+00.
Delete L=0 primitive 6 from 1 C= 0.00D+00.
Delete L=0 primitive 5 from 1 C= 0.00D+00.
Delete L=0 primitive 3 from 1 C= 0.00D+00.
IA= 1 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 6.
IA= 1 ShT= 1 ShC= 1 NL= 1 NS= 0.
I= 1 JX= 3 NP= 3
IA= 1 L=1 SC=1 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 2 ShT= 0 ShC= 0 NL= 1 NS= 0.
I= 1 JX= 3 NP= 3
IA= 2 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
IA= 3 ShT= 0 ShC= 0 NL= 1 NS= 0.
I= 1 JX= 3 NP= 3
IA= 3 L=0 SC=0 ISt= 0 NBk= 0 NP= 0 IndPr= 0.
Electric field displacement of shell 1 is 0.00D+00
Electric field displacement of shell 2 is 0.00D+00
Electric field displacement of shell 3 is 0.00D+00
Electric field displacement of shell 4 is 0.00D+00
Electric field displacement of shell 5 is 0.00D+00
AO basis set in the form of general basis input (Overlap normalization):
1 0
S 3 1.00 0.000000000000
0.2818665800D+03 0.6906002911D-01
0.4241600000D+02 0.3931591657D+00
0.9095620000D+01 0.6656692806D+00
S 3 1.00 0.000000000000
0.1146603000D+02 -0.8081992953D-01
0.8878600000D+00 0.5820894924D+00
0.2788000000D+00 0.4971595665D+00
P 3 1.00 0.000000000000
0.8047240000D+01 0.1242709885D+00
0.1668420000D+01 0.4765939559D+00
0.3725100000D+00 0.6130439433D+00
****
2 0
S 3 1.00 0.000000000000
0.4501800000D+01 0.7045200332D-01
0.6814440000D+00 0.4078260192D+00
0.1513980000D+00 0.6477520306D+00
****
3 0
S 3 1.00 0.000000000000
0.4501800000D+01 0.7045200332D-01
0.6814440000D+00 0.4078260192D+00
0.1513980000D+00 0.6477520306D+00
****
LdAtmC: AtmChg= 8.000000 1.000000 1.000000
AtZEff= -5.6000000 -1.0000000 -1.0000000
7 basis functions, 21 primitive gaussians, 7 cartesian basis functions
5 alpha electrons 5 beta electrons
nuclear repulsion energy 9.1895337225 Hartrees.
IS= 1 IAt= 1 ISR= 1 T=0 IP= 1 IndIP= 1 IndIPD= 0 C= 3.385864D+00 0.000000D+00 NZ=T
IS= 1 IAt= 1 ISR= 1 T=0 IP= 2 IndIP= 2 IndIPD= 1 C= 4.657210D+00 0.000000D+00 NZ=T
IS= 1 IAt= 1 ISR= 1 T=0 IP= 3 IndIP= 3 IndIPD= 2 C= 2.484808D+00 0.000000D+00 NZ=T
IS= 2 IAt= 1 ISR= 2 T=0 IP= 1 IndIP= 4 IndIPD= 0 C= -3.589123D-01 0.000000D+00 NZ=T
IS= 2 IAt= 1 ISR= 2 T=0 IP= 2 IndIP= 5 IndIPD= 1 C= 3.794532D-01 0.000000D+00 NZ=T
IS= 2 IAt= 1 ISR= 2 T=0 IP= 3 IndIP= 6 IndIPD= 2 C= 1.359488D-01 0.000000D+00 NZ=T
IS= 3 IAt= 1 ISR= 3 T=1 IP= 1 IndIP= 7 IndIPD= 0 C= 0.000000D+00 2.400869D+00 NZ=T
IS= 3 IAt= 1 ISR= 3 T=1 IP= 2 IndIP= 8 IndIPD= 1 C= 0.000000D+00 1.288162D+00 NZ=T
IS= 3 IAt= 1 ISR= 3 T=1 IP= 3 IndIP= 9 IndIPD= 2 C= 0.000000D+00 2.543045D-01 NZ=T
IS= 4 IAt= 2 ISR= 1 T=0 IP= 1 IndIP= 10 IndIPD= 0 C= 1.551826D-01 0.000000D+00 NZ=T
IS= 4 IAt= 2 ISR= 1 T=0 IP= 2 IndIP= 11 IndIPD= 1 C= 2.180006D-01 0.000000D+00 NZ=T
IS= 4 IAt= 2 ISR= 1 T=0 IP= 3 IndIP= 12 IndIPD= 2 C= 1.120493D-01 0.000000D+00 NZ=T
IS= 5 IAt= 3 ISR= 1 T=0 IP= 1 IndIP= 13 IndIPD= 0 C= 1.551826D-01 0.000000D+00 NZ=T
IS= 5 IAt= 3 ISR= 1 T=0 IP= 2 IndIP= 14 IndIPD= 1 C= 2.180006D-01 0.000000D+00 NZ=T
IS= 5 IAt= 3 ISR= 1 T=0 IP= 3 IndIP= 15 IndIPD= 2 C= 1.120493D-01 0.000000D+00 NZ=T
IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000
ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000
IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4
NAtoms= 3 NActive= 3 NUniq= 3 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F
Integral buffers will be 131072 words long.
Raffenetti 1 integral format.
Two-electron integral symmetry is turned off.
Pair potential:
Leave Link 301 at Wed Aug 8 02:50:22 2018, MaxMem= 33554432 cpu: 0.1
(Enter /ghome/chihiro/gaussian/g09-d.01/l302.exe)
NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1
NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.
One-electron integrals computed using PRISM.
Entering OneElI...
OneElI was handed 33554338 working-precision words.
Calculate overlap and kinetic energy integrals
NBasis = 7 MinDer = 0 MaxDer = 0
Requested accuracy = 0.1000D-12
ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 2.86D+00
NSMCal= 15 NSMKep= 15
NShlT= 6 NTypes= 3 LenT1= 15 LenC1= 7
LenT2= 5 LenN2= 92 LenC2= 17 LenP2D= 136
LenP2C= 136
IType= 1 ShlT= 0 ShlC= 0 T1C1St= 1
ISh= 1 C1NPrm= 3 C1ESt= 1 C1CSt= 1
C1SMap= 1 C1AOS= 1 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 1 P1Exp= 2.82D+02 P1CMax= 3.39D+00
IPrm= 2 P1Exp= 4.24D+01 P1CMax= 4.66D+00
IPrm= 3 P1Exp= 9.10D+00 P1CMax= 2.48D+00
ISh= 2 C1NPrm= 3 C1ESt= 4 C1CSt= 4
C1SMap= 2 C1AOS= 2 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 4 P1Exp= 1.15D+01 P1CMax= 3.59D-01
IPrm= 5 P1Exp= 8.88D-01 P1CMax= 3.79D-01
IPrm= 6 P1Exp= 2.79D-01 P1CMax= 1.36D-01
ISh= 3 C1NPrm= 3 C1ESt= 7 C1CSt= 7
C1SMap= 4 C1AOS= 6 C1Cent= 2
CentXYZ= 0.000000 1.430901 -0.886660
IPrm= 7 P1Exp= 4.50D+00 P1CMax= 1.55D-01
IPrm= 8 P1Exp= 6.81D-01 P1CMax= 2.18D-01
IPrm= 9 P1Exp= 1.51D-01 P1CMax= 1.12D-01
ISh= 4 C1NPrm= 3 C1ESt= 10 C1CSt= 10
C1SMap= 5 C1AOS= 7 C1Cent= 3
CentXYZ= 0.000000 -1.430901 -0.886660
IPrm= 10 P1Exp= 4.50D+00 P1CMax= 1.55D-01
IPrm= 11 P1Exp= 6.81D-01 P1CMax= 2.18D-01
IPrm= 12 P1Exp= 1.51D-01 P1CMax= 1.12D-01
IType= 2 ShlT= 1 ShlC= 1 T1C1St= 5
ISh= 5 C1NPrm= 3 C1ESt= 13 C1CSt= 13
C1SMap= 3 C1AOS= 3 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 13 P1Exp= 8.05D+00 P1CMax= 2.40D+00
IPrm= 14 P1Exp= 1.67D+00 P1CMax= 1.29D+00
IPrm= 15 P1Exp= 3.73D-01 P1CMax= 2.54D-01
IType= 3 ShlT= 0 ShlC= 0 T1C1St= 6
ISh= 6 C1NPrm= 1 C1ESt= 16 C1CSt= 16
C1SMap= 1 C1AOS= 8 C1Cent= 6
CentXYZ= 0.000000 0.000000 0.000000
IPrm= 16 P1Exp= 5.00D-01 P1CMax= 1.00D+00
IJTC= 1 IType= 1 JType= 1 T2N2St= 1
IJTN= 1 NPrm= 9 0 C2St= 1 PDSt= 1 PCSt= 1
IJTN= 2 NPrm= 9 0 C2St= 1 PDSt= 1 PCSt= 1
IJShl= 1 C2ShlIJ= 1 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.20D+01 0.38D+05
C2CDif= 0.000000 0.000000 0.000000
IJP= 1 A= 0.563733D+03 B= 0.563733D+03 U= 0.476929D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 2 A= 0.563733D+03 B= 0.848320D+02 U= 0.150361D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 3 A= 0.563733D+03 B= 0.181912D+02 U= 0.943914D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 4 A= 0.848320D+02 B= 0.563733D+03 U= 0.150361D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 5 A= 0.848320D+02 B= 0.848320D+02 U= 0.154574D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 6 A= 0.848320D+02 B= 0.181912D+02 U= 0.174295D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 7 A= 0.181912D+02 B= 0.563733D+03 U= 0.943914D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 8 A= 0.181912D+02 B= 0.848320D+02 U= 0.174295D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 9 A= 0.181912D+02 B= 0.181912D+02 U= 0.443116D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 2 C2ShlIJ= 2 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.56D+00 0.21D+04
C2CDif= 0.000000 0.000000 0.000000
IJP= 10 A= 0.229321D+02 B= 0.563733D+03 U=-0.134692D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 11 A= 0.229321D+02 B= 0.848320D+02 U=-0.235328D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 12 A= 0.229321D+02 B= 0.181912D+02 U=-0.532622D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 13 A= 0.177572D+01 B= 0.563733D+03 U= 0.150466D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 14 A= 0.177572D+01 B= 0.848320D+02 U= 0.345318D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 15 A= 0.177572D+01 B= 0.181912D+02 U= 0.166438D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 16 A= 0.557600D+00 B= 0.563733D+03 U= 0.540830D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 17 A= 0.557600D+00 B= 0.848320D+02 U= 0.126376D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 18 A= 0.557600D+00 B= 0.181912D+02 U= 0.655355D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 3 C2ShlIJ= 2 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.48D+00 0.17D+02
C2CDif= 0.000000 0.000000 0.000000
IJP= 19 A= 0.229321D+02 B= 0.229321D+02 U= 0.653186D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 20 A= 0.229321D+02 B= 0.177572D+01 U=-0.174649D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 21 A= 0.229321D+02 B= 0.557600D+00 U=-0.675023D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 22 A= 0.177572D+01 B= 0.229321D+02 U=-0.174649D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 23 A= 0.177572D+01 B= 0.177572D+01 U= 0.338828D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 24 A= 0.177572D+01 B= 0.557600D+00 U= 0.227951D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 25 A= 0.557600D+00 B= 0.229321D+02 U=-0.675023D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 26 A= 0.557600D+00 B= 0.177572D+01 U= 0.227951D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 27 A= 0.557600D+00 B= 0.557600D+00 U= 0.247168D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 4 C2ShlIJ= 3 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.11D+00 0.39D+03
C2CDif= 0.000000 1.430901 -1.108324
IJP= 28 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
C= 0.100000D+01
P2P= 0.000000D+00 0.224942D-01 0.204242D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 29 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
C= 0.100000D+01
P2P= 0.000000D+00 0.137296D+00 0.115320D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 30 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.473739D+00-0.145276D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJP= 31 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
C= 0.100000D+01
P2P= 0.000000D+00 0.345102D-02 0.218992D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 32 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.226250D-01 0.204140D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 33 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.997312D-01 0.144417D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJP= 34 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.768162D-03 0.221070D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 35 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.508924D-02 0.217723D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 36 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.234276D-01 0.203519D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJShl= 5 C2ShlIJ= 3 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.19D+00 0.17D+01
C2CDif= 0.000000 1.430901 -1.108324
IJP= 37 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
C= 0.100000D+01
P2P= 0.000000D+00 0.403413D+00-0.908043D-01
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 38 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.119518D+01-0.704081D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 39 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.134745D+01-0.822023D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJP= 40 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.802701D-01 0.159491D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 41 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.621345D+00-0.259606D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 42 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.101545D+01-0.564865D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJP= 43 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.186475D-01 0.207221D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 44 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.208452D+00 0.602054D-01
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 45 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.503572D+00-0.168384D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJShl= 6 C2ShlIJ= 3 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.33D+00 0.13D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 46 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 47 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 48 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 49 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 50 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 51 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 52 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 53 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 54 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 7 C2ShlIJ= 4 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.11D+00 0.39D+03
C2CDif= 0.000000 -1.430901 -1.108324
IJP= 55 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
C= 0.100000D+01
P2P= 0.000000D+00-0.224942D-01 0.204242D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 56 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
C= 0.100000D+01
P2P= 0.000000D+00-0.137296D+00 0.115320D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 57 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
C= 0.100000D+01
P2P= 0.000000D+00-0.473739D+00-0.145276D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJP= 58 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
C= 0.100000D+01
P2P= 0.000000D+00-0.345102D-02 0.218992D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 59 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.226250D-01 0.204140D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 60 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.997312D-01 0.144417D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJP= 61 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.768162D-03 0.221070D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 62 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.508924D-02 0.217723D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 63 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.234276D-01 0.203519D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJShl= 8 C2ShlIJ= 4 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.19D+00 0.17D+01
C2CDif= 0.000000 -1.430901 -1.108324
IJP= 64 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
C= 0.100000D+01
P2P= 0.000000D+00-0.403413D+00-0.908043D-01
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 65 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.119518D+01-0.704081D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 66 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.134745D+01-0.822023D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJP= 67 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.802701D-01 0.159491D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 68 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.621345D+00-0.259606D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 69 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.101545D+01-0.564865D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJP= 70 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.186475D-01 0.207221D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 71 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.208452D+00 0.602054D-01
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 72 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.503572D+00-0.168384D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJShl= 9 C2ShlIJ= 4 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.18D+00 0.18D+00
C2CDif= 0.000000 -2.861801 0.000000
IJP= 73 A= 0.900360D+01 B= 0.900360D+01 U= 0.489458D-10
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 74 A= 0.900360D+01 B= 0.136289D+01 U= 0.125313D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.105466D+01-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 75 A= 0.900360D+01 B= 0.302796D+00 U= 0.290652D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.133779D+01-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJP= 76 A= 0.136289D+01 B= 0.900360D+01 U= 0.125313D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.105466D+01-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 77 A= 0.136289D+01 B= 0.136289D+01 U= 0.102108D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 78 A= 0.136289D+01 B= 0.302796D+00 U= 0.648845D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.910669D+00-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJP= 79 A= 0.302796D+00 B= 0.900360D+01 U= 0.290652D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.133779D+01-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 80 A= 0.302796D+00 B= 0.136289D+01 U= 0.648845D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.910669D+00-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 81 A= 0.302796D+00 B= 0.302796D+00 U= 0.225719D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJShl= 10 C2ShlIJ= 4 4 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.33D+00 0.13D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 82 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 83 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 84 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 85 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 86 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 87 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 88 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 89 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 90 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJTC= 2 IType= 2 JType= 1 T2N2St= 3
IJTN= 3 NPrm= 9 0 C2St= 11 PDSt= 91 PCSt= 91
IJTN= 4 NPrm= 9 0 C2St= 11 PDSt= 91 PCSt= 91
IJShl= 11 C2ShlIJ= 5 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.21D+01 0.14D+05
C2CDif= 0.000000 0.000000 0.000000
IJP= 91 A= 0.160945D+02 B= 0.563733D+03 U= 0.158147D-04
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 92 A= 0.160945D+02 B= 0.848320D+02 U= 0.172088D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 93 A= 0.160945D+02 B= 0.181912D+02 U= 0.136505D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 94 A= 0.333684D+01 B= 0.563733D+03 U= 0.897053D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 95 A= 0.333684D+01 B= 0.848320D+02 U= 0.129443D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 96 A= 0.333684D+01 B= 0.181912D+02 U= 0.234434D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 97 A= 0.745020D+00 B= 0.563733D+03 U= 0.179133D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 98 A= 0.745020D+00 B= 0.848320D+02 U= 0.275332D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 99 A= 0.745020D+00 B= 0.181912D+02 U= 0.637795D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 12 C2ShlIJ= 5 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.11D+01 0.99D+02
C2CDif= 0.000000 0.000000 0.000000
IJP= 100 A= 0.160945D+02 B= 0.229321D+02 U=-0.142635D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 101 A= 0.160945D+02 B= 0.177572D+01 U= 0.106285D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 102 A= 0.160945D+02 B= 0.557600D+00 U= 0.454300D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 103 A= 0.333684D+01 B= 0.229321D+02 U=-0.205885D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 104 A= 0.333684D+01 B= 0.177572D+01 U= 0.130257D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 105 A= 0.333684D+01 B= 0.557600D+00 U= 0.921516D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 106 A= 0.745020D+00 B= 0.229321D+02 U=-0.526977D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 107 A= 0.745020D+00 B= 0.177572D+01 U= 0.150648D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 108 A= 0.745020D+00 B= 0.557600D+00 U= 0.281161D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 13 C2ShlIJ= 5 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.30D+00 0.80D+01
C2CDif= 0.000000 -1.430901 1.108324
IJP= 109 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
C= 0.100000D+01
P2P= 0.000000D+00 0.513316D+00-0.175932D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 110 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.111710D+00 0.135139D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 111 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.264234D-01 0.201198D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJP= 112 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.104399D+01-0.586970D+00
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 113 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.414951D+00-0.997414D-01
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 114 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.119042D+00 0.129459D+00
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJP= 115 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.132155D+01-0.801958D+00
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 116 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.925162D+00-0.494933D+00
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 117 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.413499D+00-0.986167D-01
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJShl= 14 C2ShlIJ= 5 4 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.30D+00 0.80D+01
C2CDif= 0.000000 1.430901 1.108324
IJP= 118 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
C= 0.100000D+01
P2P= 0.000000D+00-0.513316D+00-0.175932D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 119 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.111710D+00 0.135139D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 120 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.264234D-01 0.201198D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJP= 121 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.104399D+01-0.586970D+00
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 122 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.414951D+00-0.997414D-01
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 123 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.119042D+00 0.129459D+00
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJP= 124 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.132155D+01-0.801958D+00
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 125 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.925162D+00-0.494933D+00
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 126 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.413499D+00-0.986167D-01
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJTC= 3 IType= 2 JType= 2 T2N2St= 5
IJTN= 5 NPrm= 9 0 C2St= 15 PDSt= 127 PCSt= 127
IJTN= 6 NPrm= 9 0 C2St= 15 PDSt= 127 PCSt= 127
IJShl= 15 C2ShlIJ= 5 5 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.29D+01 0.55D+03
C2CDif= 0.000000 0.000000 0.000000
IJP= 127 A= 0.160945D+02 B= 0.160945D+02 U= 0.479769D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 128 A= 0.160945D+02 B= 0.333684D+01 U= 0.150609D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 129 A= 0.160945D+02 B= 0.745020D+00 U= 0.490727D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 130 A= 0.333684D+01 B= 0.160945D+02 U= 0.150609D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 131 A= 0.333684D+01 B= 0.333684D+01 U= 0.340355D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 132 A= 0.333684D+01 B= 0.745020D+00 U= 0.375484D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 133 A= 0.745020D+00 B= 0.160945D+02 U= 0.490727D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 134 A= 0.745020D+00 B= 0.333684D+01 U= 0.375484D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 135 A= 0.745020D+00 B= 0.745020D+00 U= 0.252223D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJTC= 4 IType= 3 JType= 4 T2N2St= 7
IJTN= 7 NPrm= 1 1 C2St= 16 PDSt= 136 PCSt= 136
IJShl= 16 C2ShlIJ= 6 6 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 1 C2KMax= 0.14D+02 0.14D+02
C2CDif= 0.000000 0.000000 0.000000
IJP= 136 A= 0.100000D+01 B= 0.000000D+00 U= 0.100000D+01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJTN= 8 NPrm= 1 1 C2St= 17 PDSt= 137 PCSt= 137
Overlap and Kinetic Integrals
Derivative Range = 0 to 2 Logicals = T F F F F F
The Identity operator will be used
PrsmSu: NPrtUS= 2 ThrOK=T IAlg=1 NPAlg=2 LenDen= 0.
Prism: IPart= 0 DynPar=F LinDyn=F Incr= 1.
PRISM was handed 16774842 working-precision words and 15 shell-pairs
PRISM will use Minimum- Mop paths
PRISM was handed 16774842 working-precision words and 15 shell-pairs
PRISM will use Minimum- Mop paths
[0] accuracy = 0.10D-12 Chebyshev Delta = 0.12D-02 Critical T = 28.20 # of points = 11979
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 2 0 to 0
==========================================================
[0] accuracy = 0.10D-12 Chebyshev Delta = 0.12D-02 Critical T = 28.20 # of points = 11979
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 2 0 to 0
==========================================================
-------------------
The (pp|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16767487.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 29
-------------------
The (pp|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16767487.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 29
No. of target [m0|n0] = 35
No. of locations needed = 36
No. of target [m0|n0] = 35
No. of locations needed = 36
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
189 99999 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
9999999999999999999999999999999999999999 0 0 0 0 90 90 90 90
0 0 0 0 0 0 0 0 0 0 0 0 90 90 90 90
VR1 cost = 349
Bra-TRn cost = 516
Ket-TRn cost = 0
Space needed for drivers = 8539
Space needed for driver formation = 13711
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 0
C38 = 0
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
189 99999 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
9999999999999999999999999999999999999999 0 0 0 0 90 90 90 90
0 0 0 0 0 0 0 0 0 0 0 0 90 90 90 90
VR1 cost = 349
Bra-TRn cost = 516
Ket-TRn cost = 0
Space needed for drivers = 8539
Space needed for driver formation = 13711
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 0
C38 = 0
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
93 54 36 1 0 0 0 0 1 0 0 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth=29 Kost= 4485 NPerS4= 712 nW0= 324 nW1= 54 nW2= 324 nW0X= 0 NPS4B= 267 jEnd= 139568 LenV= 16774842 MaxCom= 184
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
93 54 36 1 0 0 0 0 1 0 0 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth=29 Kost= 4485 NPerS4= 712 nW0= 324 nW1= 54 nW2= 324 nW0X= 0 NPS4B= 267 jEnd= 139568 LenV= 16774842 MaxCom= 184
-------------------
The (ps|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16772406.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 29
No. of target [m0|n0] = 20
No. of locations needed = 21
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
96 99999 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
9999999999999999999999999999999999999999 0 0 0 0 30 30 30 30
0 0 0 0 0 0 0 0 0 0 0 0 30 30 30 30
VR1 cost = 174
Bra-TRn cost = 80
Ket-TRn cost = 0
Space needed for drivers = 2987
Space needed for driver formation = 4180
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 0
C38 = 0
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
31 23 21 1 0 0 0 0 0 0 0 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth=29 Kost= 2001 NPerS4= 524 nW0= 189 nW1= 23 nW2= 189 nW0X= 0 NPS4B= 230 jEnd= 134065 LenV= 16774842 MaxCom= 250
-------------------
The (ss|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16773843.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 29
-------------------
The (ps|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16772406.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 29
No. of target [m0|n0] = 10
No. of locations needed = 11
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
39 99999 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
9999999999999999999999999999999999999999 0 0 0 0 10 10 10 10
0 0 0 0 0 0 0 0 0 0 0 0 10 10 10 10
VR1 cost = 67
Bra-TRn cost = 9
Ket-TRn cost = 0
Space needed for drivers = 1225
Space needed for driver formation = 1751
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 0
C38 = 0
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
11 11 11 1 0 0 0 0 0 0 0 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth=29 Kost= 790 NPerS4= 406 nW0= 99 nW1= 11 nW2= 99 nW0X= 0 NPS4B= 218 jEnd= 132149 LenV= 16774842 MaxCom= 322
No. of target [m0|n0] = 20
No. of locations needed = 21
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
96 99999 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
9999999999999999999999999999999999999999 0 0 0 0 30 30 30 30
0 0 0 0 0 0 0 0 0 0 0 0 30 30 30 30
VR1 cost = 174
Bra-TRn cost = 80
Ket-TRn cost = 0
Space needed for drivers = 2987
Space needed for driver formation = 4180
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 0
C38 = 0
IPart= 1 NShTot= 7 NBatch= 2 AvBLen= 3.5
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
31 23 21 1 0 0 0 0 0 0 0 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth=29 Kost= 2001 NPerS4= 524 nW0= 189 nW1= 23 nW2= 189 nW0X= 0 NPS4B= 230 jEnd= 134065 LenV= 16774842 MaxCom= 250
-------------------
The (ss|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16773843.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FFFFTTFFFFFFFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 29
No. of target [m0|n0] = 10
No. of locations needed = 11
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
39 99999 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
9999999999999999999999999999999999999999 0 0 0 0 10 10 10 10
0 0 0 0 0 0 0 0 0 0 0 0 10 10 10 10
VR1 cost = 67
Bra-TRn cost = 9
Ket-TRn cost = 0
Space needed for drivers = 1225
Space needed for driver formation = 1751
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 0
C38 = 0
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
11 11 11 1 0 0 0 0 0 0 0 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth=29 Kost= 790 NPerS4= 406 nW0= 99 nW1= 11 nW2= 99 nW0X= 0 NPS4B= 218 jEnd= 132149 LenV= 16774842 MaxCom= 322
IPart= 0 NShTot= 8 NBatch= 3 AvBLen= 2.7
PrSmSu: NxtVal= 3.
*** Overlap ***
1 2 3 4 5
1 0.100000D+01
2 0.203047D+00 0.100000D+01
3 0.000000D+00 0.000000D+00 0.100000D+01
4 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
6 0.551875D-01 0.524602D+00 0.000000D+00 0.315965D+00 -0.244735D+00
7 0.551875D-01 0.524602D+00 0.000000D+00 -0.315965D+00 -0.244735D+00
6 7
6 0.100000D+01
7 0.371763D+00 0.100000D+01
*** Kinetic Energy ***
1 2 3 4 5
1 0.295542D+02
2 -0.930079D+00 0.859772D+00
3 0.000000D+00 0.000000D+00 0.250867D+01
4 0.000000D+00 0.000000D+00 0.000000D+00 0.250867D+01
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.250867D+01
6 0.898662D-03 0.132527D+00 0.000000D+00 0.206390D+00 -0.159862D+00
7 0.898662D-03 0.132527D+00 0.000000D+00 -0.206390D+00 -0.159862D+00
6 7
6 0.496987D+00
7 0.362210D-01 0.496987D+00
Entering OneElI...
OneElI was handed 33554338 working-precision words.
Calculate potential energy integrals
NBasis = 7 MinDer = 0 MaxDer = 0
Requested accuracy = 0.1000D-12
ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 2.86D+00
NSMCal= 15 NSMKep= 15
NShlT= 8 NTypes= 3 LenT1= 15 LenC1= 9
LenT2= 5 LenN2= 92 LenC2= 19 LenP2D= 138
LenP2C= 138
IType= 1 ShlT= 0 ShlC= 0 T1C1St= 1
ISh= 1 C1NPrm= 3 C1ESt= 1 C1CSt= 1
C1SMap= 1 C1AOS= 1 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 1 P1Exp= 2.82D+02 P1CMax= 3.39D+00
IPrm= 2 P1Exp= 4.24D+01 P1CMax= 4.66D+00
IPrm= 3 P1Exp= 9.10D+00 P1CMax= 2.48D+00
ISh= 2 C1NPrm= 3 C1ESt= 4 C1CSt= 4
C1SMap= 2 C1AOS= 2 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 4 P1Exp= 1.15D+01 P1CMax= 3.59D-01
IPrm= 5 P1Exp= 8.88D-01 P1CMax= 3.79D-01
IPrm= 6 P1Exp= 2.79D-01 P1CMax= 1.36D-01
ISh= 3 C1NPrm= 3 C1ESt= 7 C1CSt= 7
C1SMap= 4 C1AOS= 6 C1Cent= 2
CentXYZ= 0.000000 1.430901 -0.886660
IPrm= 7 P1Exp= 4.50D+00 P1CMax= 1.55D-01
IPrm= 8 P1Exp= 6.81D-01 P1CMax= 2.18D-01
IPrm= 9 P1Exp= 1.51D-01 P1CMax= 1.12D-01
ISh= 4 C1NPrm= 3 C1ESt= 10 C1CSt= 10
C1SMap= 5 C1AOS= 7 C1Cent= 3
CentXYZ= 0.000000 -1.430901 -0.886660
IPrm= 10 P1Exp= 4.50D+00 P1CMax= 1.55D-01
IPrm= 11 P1Exp= 6.81D-01 P1CMax= 2.18D-01
IPrm= 12 P1Exp= 1.51D-01 P1CMax= 1.12D-01
IType= 2 ShlT= 1 ShlC= 1 T1C1St= 5
ISh= 5 C1NPrm= 3 C1ESt= 13 C1CSt= 13
C1SMap= 3 C1AOS= 3 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 13 P1Exp= 8.05D+00 P1CMax= 2.40D+00
IPrm= 14 P1Exp= 1.67D+00 P1CMax= 1.29D+00
IPrm= 15 P1Exp= 3.73D-01 P1CMax= 2.54D-01
IType= 3 ShlT= 0 ShlC= 0 T1C1St= 6
ISh= 6 C1NPrm= 1 C1ESt= 16 C1CSt= 16
C1SMap= 1 C1AOS= 1 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 16 P1Exp= 1.00D+20 P1CMax= 1.80D+29
ISh= 7 C1NPrm= 1 C1ESt= 17 C1CSt= 17
C1SMap= 2 C1AOS= 2 C1Cent= 2
CentXYZ= 0.000000 1.430901 -0.886660
IPrm= 17 P1Exp= 1.00D+20 P1CMax= 1.80D+29
ISh= 8 C1NPrm= 1 C1ESt= 18 C1CSt= 18
C1SMap= 3 C1AOS= 3 C1Cent= 3
CentXYZ= 0.000000 -1.430901 -0.886660
IPrm= 18 P1Exp= 1.00D+20 P1CMax= 1.80D+29
IJTC= 1 IType= 1 JType= 1 T2N2St= 1
IJTN= 1 NPrm= 9 0 C2St= 1 PDSt= 1 PCSt= 1
IJTN= 2 NPrm= 9 0 C2St= 1 PDSt= 1 PCSt= 1
IJShl= 1 C2ShlIJ= 1 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.10D+01 0.10D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 1 A= 0.563733D+03 B= 0.563733D+03 U= 0.476929D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 2 A= 0.563733D+03 B= 0.848320D+02 U= 0.150361D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 3 A= 0.563733D+03 B= 0.181912D+02 U= 0.943914D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 4 A= 0.848320D+02 B= 0.563733D+03 U= 0.150361D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 5 A= 0.848320D+02 B= 0.848320D+02 U= 0.154574D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 6 A= 0.848320D+02 B= 0.181912D+02 U= 0.174295D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 7 A= 0.181912D+02 B= 0.563733D+03 U= 0.943914D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 8 A= 0.181912D+02 B= 0.848320D+02 U= 0.174295D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 9 A= 0.181912D+02 B= 0.181912D+02 U= 0.443116D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 2 C2ShlIJ= 2 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.28D+00 0.28D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 10 A= 0.229321D+02 B= 0.563733D+03 U=-0.134692D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 11 A= 0.229321D+02 B= 0.848320D+02 U=-0.235328D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 12 A= 0.229321D+02 B= 0.181912D+02 U=-0.532622D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 13 A= 0.177572D+01 B= 0.563733D+03 U= 0.150466D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 14 A= 0.177572D+01 B= 0.848320D+02 U= 0.345318D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 15 A= 0.177572D+01 B= 0.181912D+02 U= 0.166438D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 16 A= 0.557600D+00 B= 0.563733D+03 U= 0.540830D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 17 A= 0.557600D+00 B= 0.848320D+02 U= 0.126376D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 18 A= 0.557600D+00 B= 0.181912D+02 U= 0.655355D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 3 C2ShlIJ= 2 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.24D+00 0.24D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 19 A= 0.229321D+02 B= 0.229321D+02 U= 0.653186D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 20 A= 0.229321D+02 B= 0.177572D+01 U=-0.174649D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 21 A= 0.229321D+02 B= 0.557600D+00 U=-0.675023D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 22 A= 0.177572D+01 B= 0.229321D+02 U=-0.174649D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 23 A= 0.177572D+01 B= 0.177572D+01 U= 0.338828D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 24 A= 0.177572D+01 B= 0.557600D+00 U= 0.227951D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 25 A= 0.557600D+00 B= 0.229321D+02 U=-0.675023D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 26 A= 0.557600D+00 B= 0.177572D+01 U= 0.227951D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 27 A= 0.557600D+00 B= 0.557600D+00 U= 0.247168D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 4 C2ShlIJ= 3 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.55D-01 0.55D-01
C2CDif= 0.000000 1.430901 -1.108324
IJP= 28 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
C= 0.100000D+01
P2P= 0.000000D+00 0.224942D-01 0.204242D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 29 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
C= 0.100000D+01
P2P= 0.000000D+00 0.137296D+00 0.115320D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 30 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.473739D+00-0.145276D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJP= 31 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
C= 0.100000D+01
P2P= 0.000000D+00 0.345102D-02 0.218992D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 32 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.226250D-01 0.204140D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 33 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.997312D-01 0.144417D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJP= 34 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.768162D-03 0.221070D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 35 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.508924D-02 0.217723D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 36 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.234276D-01 0.203519D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJShl= 5 C2ShlIJ= 3 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.79D-01 0.79D-01
C2CDif= 0.000000 1.430901 -1.108324
IJP= 37 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
C= 0.100000D+01
P2P= 0.000000D+00 0.403413D+00-0.908043D-01
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 38 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.119518D+01-0.704081D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 39 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.134745D+01-0.822023D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJP= 40 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.802701D-01 0.159491D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 41 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.621345D+00-0.259606D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 42 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.101545D+01-0.564865D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJP= 43 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.186475D-01 0.207221D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 44 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.208452D+00 0.602054D-01
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 45 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.503572D+00-0.168384D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJShl= 6 C2ShlIJ= 3 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.12D+00 0.12D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 46 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 47 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 48 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 49 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 50 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 51 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 52 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 53 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 54 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 7 C2ShlIJ= 4 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.55D-01 0.55D-01
C2CDif= 0.000000 -1.430901 -1.108324
IJP= 55 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
C= 0.100000D+01
P2P= 0.000000D+00-0.224942D-01 0.204242D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 56 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
C= 0.100000D+01
P2P= 0.000000D+00-0.137296D+00 0.115320D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 57 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
C= 0.100000D+01
P2P= 0.000000D+00-0.473739D+00-0.145276D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJP= 58 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
C= 0.100000D+01
P2P= 0.000000D+00-0.345102D-02 0.218992D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 59 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.226250D-01 0.204140D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 60 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.997312D-01 0.144417D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJP= 61 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.768162D-03 0.221070D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 62 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.508924D-02 0.217723D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 63 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.234276D-01 0.203519D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJShl= 8 C2ShlIJ= 4 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.79D-01 0.79D-01
C2CDif= 0.000000 -1.430901 -1.108324
IJP= 64 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
C= 0.100000D+01
P2P= 0.000000D+00-0.403413D+00-0.908043D-01
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 65 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.119518D+01-0.704081D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 66 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.134745D+01-0.822023D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJP= 67 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.802701D-01 0.159491D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 68 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.621345D+00-0.259606D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 69 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.101545D+01-0.564865D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJP= 70 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.186475D-01 0.207221D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 71 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.208452D+00 0.602054D-01
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 72 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.503572D+00-0.168384D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJShl= 9 C2ShlIJ= 4 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.66D-01 0.66D-01
C2CDif= 0.000000 -2.861801 0.000000
IJP= 73 A= 0.900360D+01 B= 0.900360D+01 U= 0.489458D-10
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 74 A= 0.900360D+01 B= 0.136289D+01 U= 0.125313D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.105466D+01-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 75 A= 0.900360D+01 B= 0.302796D+00 U= 0.290652D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.133779D+01-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJP= 76 A= 0.136289D+01 B= 0.900360D+01 U= 0.125313D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.105466D+01-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 77 A= 0.136289D+01 B= 0.136289D+01 U= 0.102108D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 78 A= 0.136289D+01 B= 0.302796D+00 U= 0.648845D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.910669D+00-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJP= 79 A= 0.302796D+00 B= 0.900360D+01 U= 0.290652D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.133779D+01-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 80 A= 0.302796D+00 B= 0.136289D+01 U= 0.648845D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.910669D+00-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 81 A= 0.302796D+00 B= 0.302796D+00 U= 0.225719D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJShl= 10 C2ShlIJ= 4 4 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.12D+00 0.12D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 82 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 83 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 84 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 85 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 86 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 87 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 88 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 89 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 90 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJTC= 2 IType= 2 JType= 1 T2N2St= 3
IJTN= 3 NPrm= 9 0 C2St= 11 PDSt= 91 PCSt= 91
IJTN= 4 NPrm= 9 0 C2St= 11 PDSt= 91 PCSt= 91
IJShl= 11 C2ShlIJ= 5 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.51D-01 0.51D-01
C2CDif= 0.000000 0.000000 0.000000
IJP= 91 A= 0.160945D+02 B= 0.563733D+03 U= 0.158147D-04
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 92 A= 0.160945D+02 B= 0.848320D+02 U= 0.172088D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 93 A= 0.160945D+02 B= 0.181912D+02 U= 0.136505D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 94 A= 0.333684D+01 B= 0.563733D+03 U= 0.897053D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 95 A= 0.333684D+01 B= 0.848320D+02 U= 0.129443D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 96 A= 0.333684D+01 B= 0.181912D+02 U= 0.234434D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 97 A= 0.745020D+00 B= 0.563733D+03 U= 0.179133D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 98 A= 0.745020D+00 B= 0.848320D+02 U= 0.275332D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 99 A= 0.745020D+00 B= 0.181912D+02 U= 0.637795D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 12 C2ShlIJ= 5 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.67D-01 0.67D-01
C2CDif= 0.000000 0.000000 0.000000
IJP= 100 A= 0.160945D+02 B= 0.229321D+02 U=-0.142635D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 101 A= 0.160945D+02 B= 0.177572D+01 U= 0.106285D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 102 A= 0.160945D+02 B= 0.557600D+00 U= 0.454300D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 103 A= 0.333684D+01 B= 0.229321D+02 U=-0.205885D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 104 A= 0.333684D+01 B= 0.177572D+01 U= 0.130257D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 105 A= 0.333684D+01 B= 0.557600D+00 U= 0.921516D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 106 A= 0.745020D+00 B= 0.229321D+02 U=-0.526977D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 107 A= 0.745020D+00 B= 0.177572D+01 U= 0.150648D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 108 A= 0.745020D+00 B= 0.557600D+00 U= 0.281161D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 13 C2ShlIJ= 5 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.86D-01 0.86D-01
C2CDif= 0.000000 -1.430901 1.108324
IJP= 109 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
C= 0.100000D+01
P2P= 0.000000D+00 0.513316D+00-0.175932D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 110 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.111710D+00 0.135139D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 111 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.264234D-01 0.201198D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJP= 112 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.104399D+01-0.586970D+00
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 113 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.414951D+00-0.997414D-01
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 114 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.119042D+00 0.129459D+00
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJP= 115 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.132155D+01-0.801958D+00
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 116 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.925162D+00-0.494933D+00
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 117 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.413499D+00-0.986167D-01
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJShl= 14 C2ShlIJ= 5 4 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.86D-01 0.86D-01
C2CDif= 0.000000 1.430901 1.108324
IJP= 118 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
C= 0.100000D+01
P2P= 0.000000D+00-0.513316D+00-0.175932D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 119 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.111710D+00 0.135139D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 120 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.264234D-01 0.201198D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJP= 121 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.104399D+01-0.586970D+00
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 122 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.414951D+00-0.997414D-01
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 123 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.119042D+00 0.129459D+00
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJP= 124 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.132155D+01-0.801958D+00
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 125 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.925162D+00-0.494933D+00
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 126 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.413499D+00-0.986167D-01
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJTC= 3 IType= 2 JType= 2 T2N2St= 5
IJTN= 5 NPrm= 9 0 C2St= 15 PDSt= 127 PCSt= 127
IJTN= 6 NPrm= 9 0 C2St= 15 PDSt= 127 PCSt= 127
IJShl= 15 C2ShlIJ= 5 5 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.22D+00 0.22D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 127 A= 0.160945D+02 B= 0.160945D+02 U= 0.479769D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 128 A= 0.160945D+02 B= 0.333684D+01 U= 0.150609D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 129 A= 0.160945D+02 B= 0.745020D+00 U= 0.490727D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 130 A= 0.333684D+01 B= 0.160945D+02 U= 0.150609D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 131 A= 0.333684D+01 B= 0.333684D+01 U= 0.340355D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 132 A= 0.333684D+01 B= 0.745020D+00 U= 0.375484D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 133 A= 0.745020D+00 B= 0.160945D+02 U= 0.490727D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 134 A= 0.745020D+00 B= 0.333684D+01 U= 0.375484D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 135 A= 0.745020D+00 B= 0.745020D+00 U= 0.252223D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJTC= 4 IType= 3 JType= 4 T2N2St= 7
IJTN= 7 NPrm= 1 1 C2St= 16 PDSt= 136 PCSt= 136
IJShl= 16 C2ShlIJ= 6 6 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 1 C2KMax= 0.00D+00 0.00D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 136 A= 0.000000D+00 B= 0.000000D+00 U= 0.100000D+01
C= 0.927953D-02
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 17 C2ShlIJ= 7 7 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 1 C2KMax= 0.00D+00 0.00D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 137 A= 0.000000D+00 B= 0.000000D+00 U= 0.100000D+01
C= 0.243171D-01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 18 C2ShlIJ= 8 8 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 1 C2KMax= 0.00D+00 0.00D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 138 A= 0.000000D+00 B= 0.000000D+00 U= 0.100000D+01
C= 0.176832D-02
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJTN= 8 NPrm= 1 1 C2St= 19 PDSt= 139 PCSt= 139
Nuclear Attraction Integrals
The Coulomb operator will be used
PrsmSu: NPrtUS= 2 ThrOK=T IAlg=1 NPAlg=2 LenDen= 0.
Prism: IPart= 0 DynPar=F LinDyn=F Incr= 1.
PRISM was handed 16774800 working-precision words and 15 shell-pairs
PRISM will use Minimum- Mop paths
PRISM was handed 16774800 working-precision words and 15 shell-pairs
PRISM will use Minimum- Mop paths
[0] accuracy = 0.10D-12 Chebyshev Delta = 0.12D-02 Critical T = 28.20 # of points = 11979
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 0 0 to 0
==========================================================
[0] accuracy = 0.10D-12 Chebyshev Delta = 0.12D-02 Critical T = 28.20 # of points = 11979
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 0 0 to 0
==========================================================
-------------------
The (pp|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16677690.
After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 1 4 5 29
-------------------
The (pp|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16677690.
After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 1 4 5 29
No. of target [m0|n0] = 9
No. of locations needed = 10
No. of target [m0|n0] = 9
No. of locations needed = 10
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
39 93 99999 99999 90 87 90 87 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
10 0 0 0 14 10 14 14 9 9 9 9 9 9 9 9
-10 0 0 0 -14 -10 -14 -14 -9 -9 -9 -9 -9 -9 -9 -9
VR1 cost = 67
Bra-TRn cost = 27
Ket-TRn cost = 0
Space needed for drivers = 2015
Space needed for driver formation = 2310
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 40
C38 = 56
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
39 93 99999 99999 90 87 90 87 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
10 0 0 0 14 10 14 14 9 9 9 9 9 9 9 9
-10 0 0 0 -14 -10 -14 -14 -9 -9 -9 -9 -9 -9 -9 -9
VR1 cost = 67
Bra-TRn cost = 27
Ket-TRn cost = 0
Space needed for drivers = 2015
Space needed for driver formation = 2310
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 40
C38 = 56
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
16 17 3 0 1 0 0 0 1 0 1 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth= 1 Kost= 308 NPerS4= 264 nW0= 27 nW1= 17 nW2= 27 nW0X= 9 NPS4B= 158 jEnd= 228874 LenV= 16774800 MaxCom= 496
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
16 17 3 0 1 0 0 0 1 0 1 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth= 1 Kost= 308 NPerS4= 264 nW0= 27 nW1= 17 nW2= 27 nW0X= 9 NPS4B= 158 jEnd= 228874 LenV= 16774800 MaxCom= 496
-------------------
The (ps|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16678637.
After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 1 4 5 29
No. of target [m0|n0] = 3
No. of locations needed = 4
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
7 15 99999 99999 12 12 12 12 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
3 0 0 0 4 4 4 4 3 3 3 3 3 3 3 3
-3 0 0 0 -4 -4 -4 -4 -3 -3 -3 -3 -3 -3 -3 -3
VR1 cost = 15
Bra-TRn cost = 0
Ket-TRn cost = 0
Space needed for drivers = 548
Space needed for driver formation = 590
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 16
C38 = 16
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
4 5 2 0 1 0 0 0 1 0 1 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth= 1 Kost= 65 NPerS4= 172 nW0= 18 nW1= 5 nW2= 18 nW0X= 3 NPS4B= 92 jEnd= 227530 LenV= 16774800 MaxCom= 762
-------------------
The (ps|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16678637.
After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 1 4 5 29
No. of target [m0|n0] = 3
No. of locations needed = 4
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
7 15 99999 99999 12 12 12 12 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
3 0 0 0 4 4 4 4 3 3 3 3 3 3 3 3
-3 0 0 0 -4 -4 -4 -4 -3 -3 -3 -3 -3 -3 -3 -3
VR1 cost = 15
Bra-TRn cost = 0
Ket-TRn cost = 0
Space needed for drivers = 548
Space needed for driver formation = 590
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 16
C38 = 16
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
4 5 2 0 1 0 0 0 1 0 1 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth= 1 Kost= 65 NPerS4= 172 nW0= 18 nW1= 5 nW2= 18 nW0X= 3 NPS4B= 92 jEnd= 227530 LenV= 16774800 MaxCom= 762
-------------------
The (ss|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16726796.
After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 1 4 5 29
No. of target [m0|n0] = 1
No. of locations needed = 1
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
0 0 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1
-1 0 0 0 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
VR1 cost = 0
Bra-TRn cost = 0
Ket-TRn cost = 0
Space needed for drivers = 162
Space needed for driver formation = 163
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 4
C38 = 4
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
1 1 1 0 1 0 0 0 1 0 1 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth= 1 Kost= 12 NPerS4= 124 nW0= 9 nW1= 1 nW2= 9 nW0X= 1 NPS4B= 70 jEnd= 179162 LenV= 16774800 MaxCom= 1057
IPart= 1 NShTot= 21 NBatch= 7 AvBLen= 3.0
-------------------
The (ss|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 16726796.
After MaxDer, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FTFFTTFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 1 4 5 29
No. of target [m0|n0] = 1
No. of locations needed = 1
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
0 0 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1
-1 0 0 0 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
VR1 cost = 0
Bra-TRn cost = 0
Ket-TRn cost = 0
Space needed for drivers = 162
Space needed for driver formation = 163
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 4
C38 = 4
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
1 1 1 0 1 0 0 0 1 0 1 0 0
Prsmar: KBra= 9 KKet= 1 PsmPth= 1 Kost= 12 NPerS4= 124 nW0= 9 nW1= 1 nW2= 9 nW0X= 1 NPS4B= 70 jEnd= 179162 LenV= 16774800 MaxCom= 1057
IPart= 0 NShTot= 24 NBatch= 8 AvBLen= 3.0
PrSmSu: NxtVal= 3.
***** Potential Energy *****
1 2 3 4 5
1 0.624195D+02
2 0.594224D+01 0.100301D+02
3 0.000000D+00 0.000000D+00 0.982969D+01
4 0.000000D+00 0.000000D+00 0.000000D+00 0.999142D+01
5 -0.174925D-01 -0.221633D+00 0.000000D+00 0.000000D+00 0.992672D+01
6 0.188120D+01 0.415507D+01 0.000000D+00 0.211820D+01 -0.173549D+01
7 0.188120D+01 0.415507D+01 0.000000D+00 -0.211820D+01 -0.173549D+01
6 7
6 0.543186D+01
7 0.221251D+01 0.543186D+01
****** Core Hamiltonian ******
1 2 3 4 5
1 -0.328653D+02
2 -0.687232D+01 -0.917034D+01
3 0.000000D+00 0.000000D+00 -0.732101D+01
4 0.000000D+00 0.000000D+00 0.000000D+00 -0.748274D+01
5 0.174925D-01 0.221633D+00 0.000000D+00 0.000000D+00 -0.741804D+01
6 -0.188030D+01 -0.402254D+01 0.000000D+00 -0.191181D+01 0.157563D+01
7 -0.188030D+01 -0.402254D+01 0.000000D+00 0.191181D+01 0.157563D+01
6 7
6 -0.493487D+01
7 -0.217629D+01 -0.493487D+01
SSO for IR= 1
1 2 3 4 5
1 0.100000D+01 0.203047D+00 0.000000D+00 0.000000D+00 0.000000D+00
2 0.203047D+00 0.100000D+01 0.000000D+00 0.000000D+00 0.000000D+00
3 0.000000D+00 0.000000D+00 0.100000D+01 0.000000D+00 0.000000D+00
4 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 0.000000D+00
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
6 0.551875D-01 0.524602D+00 0.000000D+00 0.315965D+00 -0.244735D+00
7 0.551875D-01 0.524602D+00 0.000000D+00 -0.315965D+00 -0.244735D+00
6 7
1 0.551875D-01 0.551875D-01
2 0.524602D+00 0.524602D+00
3 0.000000D+00 0.000000D+00
4 0.315965D+00 -0.315965D+00
5 -0.244735D+00 -0.244735D+00
6 0.100000D+01 0.371763D+00
7 0.371763D+00 0.100000D+01
SVDSVc IOpt= 1 IR=1
SVDSVc V= 2.06D+00 1.30D+00 1.08D+00 1.00D+00 9.08D-01 3.32D-01 3.30D-01
V for IR= 1
1 2 3 4 5
1 0.166226D+00 0.000000D+00 0.657163D+00 0.000000D+00 0.720288D+00
2 0.569756D+00 0.000000D+00 0.304195D+00 0.000000D+00 -0.262431D+00
3 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 0.000000D+00
4 0.000000D+00 0.831890D+00 0.000000D+00 0.000000D+00 0.000000D+00
5 -0.250876D+00 0.000000D+00 0.673450D+00 0.000000D+00 -0.620649D+00
6 0.540744D+00 0.392402D+00 -0.105042D+00 0.000000D+00 -0.116427D+00
7 0.540744D+00 -0.392402D+00 -0.105042D+00 0.000000D+00 -0.116427D+00
6 7
1 -0.147280D+00 0.000000D+00
2 0.716920D+00 0.000000D+00
3 0.000000D+00 0.000000D+00
4 0.000000D+00 -0.554940D+00
5 -0.313563D+00 0.000000D+00
6 -0.427792D+00 0.588235D+00
7 -0.427792D+00 -0.588235D+00
Vt*S*V:
1 2 3 4 5
1 0.100000D+01
2 0.000000D+00 0.100000D+01
3 0.000000D+00 0.000000D+00 0.100000D+01
4 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01
6 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
7 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 7
6 0.100000D+01
7 0.000000D+00 0.100000D+01
TstOVc: Largest diagonal error= 1.11D-15 IB=1 I= 4.
TstOVc: Largest same sym error= 9.05D-16 IB=1 I= 6 J= 4.
Orthogonalized basis functions:
1 2 3 4 5
1 0.115956D+00 0.000000D+00 0.633428D+00 0.000000D+00 0.755823D+00
2 0.397448D+00 0.000000D+00 0.293208D+00 0.000000D+00 -0.275378D+00
3 0.000000D+00 0.000000D+00 0.000000D+00 0.100000D+01 0.000000D+00
4 0.000000D+00 0.730155D+00 0.000000D+00 0.000000D+00 0.000000D+00
5 -0.175005D+00 0.000000D+00 0.649127D+00 0.000000D+00 -0.651268D+00
6 0.377211D+00 0.344414D+00 -0.101248D+00 0.000000D+00 -0.122171D+00
7 0.377211D+00 -0.344414D+00 -0.101248D+00 0.000000D+00 -0.122171D+00
6 7
1 -0.255523D+00 0.000000D+00
2 0.124382D+01 0.000000D+00
3 0.000000D+00 0.000000D+00
4 0.000000D+00 -0.965799D+00
5 -0.544018D+00 0.000000D+00
6 -0.742200D+00 0.102374D+01
7 -0.742200D+00 -0.102374D+01
NBasis= 7 RedAO= T EigKep= 3.30D-01 NBF= 7
NBsUse= 7 1.00D-06 EigRej= -1.00D+00 NBFU= 7
Leave Link 302 at Wed Aug 8 02:50:22 2018, MaxMem= 33554432 cpu: 0.2
(Enter /ghome/chihiro/gaussian/g09-d.01/l303.exe)
GetPCM: File not found, return IValue=0.
DipDrv: MaxL=1.
MemDpI: Int= 800000 Cav= 0 CFW= 0 Tot= 800000
DipPsm: J= 1 NJ= 4 MaxL=1 MMat= 4 MaxMat= 4.
DipInt: DoE/N= T F RetVal/Mat= F T Init=T NMatP= 4 IDeriv=0 Min/MaxMlt= 0 1
Entering OneElI...
OneElI was handed 33554319 working-precision words.
Multipole integrals L=0 to 1 MinM= 0 MaxM= 3.
Requested accuracy = 0.1000D-12
ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 2.86D+00
NSMCal= 15 NSMKep= 15
NShlT= 6 NTypes= 3 LenT1= 15 LenC1= 7
LenT2= 5 LenN2= 92 LenC2= 17 LenP2D= 136
LenP2C= 136
IType= 1 ShlT= 0 ShlC= 0 T1C1St= 1
ISh= 1 C1NPrm= 3 C1ESt= 1 C1CSt= 1
C1SMap= 1 C1AOS= 1 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 1 P1Exp= 2.82D+02 P1CMax= 3.39D+00
IPrm= 2 P1Exp= 4.24D+01 P1CMax= 4.66D+00
IPrm= 3 P1Exp= 9.10D+00 P1CMax= 2.48D+00
ISh= 2 C1NPrm= 3 C1ESt= 4 C1CSt= 4
C1SMap= 2 C1AOS= 2 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 4 P1Exp= 1.15D+01 P1CMax= 3.59D-01
IPrm= 5 P1Exp= 8.88D-01 P1CMax= 3.79D-01
IPrm= 6 P1Exp= 2.79D-01 P1CMax= 1.36D-01
ISh= 3 C1NPrm= 3 C1ESt= 7 C1CSt= 7
C1SMap= 4 C1AOS= 6 C1Cent= 2
CentXYZ= 0.000000 1.430901 -0.886660
IPrm= 7 P1Exp= 4.50D+00 P1CMax= 1.55D-01
IPrm= 8 P1Exp= 6.81D-01 P1CMax= 2.18D-01
IPrm= 9 P1Exp= 1.51D-01 P1CMax= 1.12D-01
ISh= 4 C1NPrm= 3 C1ESt= 10 C1CSt= 10
C1SMap= 5 C1AOS= 7 C1Cent= 3
CentXYZ= 0.000000 -1.430901 -0.886660
IPrm= 10 P1Exp= 4.50D+00 P1CMax= 1.55D-01
IPrm= 11 P1Exp= 6.81D-01 P1CMax= 2.18D-01
IPrm= 12 P1Exp= 1.51D-01 P1CMax= 1.12D-01
IType= 2 ShlT= 1 ShlC= 1 T1C1St= 5
ISh= 5 C1NPrm= 3 C1ESt= 13 C1CSt= 13
C1SMap= 3 C1AOS= 3 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 13 P1Exp= 8.05D+00 P1CMax= 2.40D+00
IPrm= 14 P1Exp= 1.67D+00 P1CMax= 1.29D+00
IPrm= 15 P1Exp= 3.73D-01 P1CMax= 2.54D-01
IType= 3 ShlT= 0 ShlC= 0 T1C1St= 6
ISh= 6 C1NPrm= 1 C1ESt= 16 C1CSt= 16
C1SMap= 1 C1AOS= 8 C1Cent= 6
CentXYZ= 0.000000 0.000000 0.000000
IPrm= 16 P1Exp= 5.00D-01 P1CMax= 1.00D+00
IJTC= 1 IType= 1 JType= 1 T2N2St= 1
IJTN= 1 NPrm= 9 0 C2St= 1 PDSt= 1 PCSt= 1
IJTN= 2 NPrm= 9 0 C2St= 1 PDSt= 1 PCSt= 1
IJShl= 1 C2ShlIJ= 1 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.20D+01 0.20D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 1 A= 0.563733D+03 B= 0.563733D+03 U= 0.476929D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 2 A= 0.563733D+03 B= 0.848320D+02 U= 0.150361D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 3 A= 0.563733D+03 B= 0.181912D+02 U= 0.943914D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 4 A= 0.848320D+02 B= 0.563733D+03 U= 0.150361D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 5 A= 0.848320D+02 B= 0.848320D+02 U= 0.154574D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 6 A= 0.848320D+02 B= 0.181912D+02 U= 0.174295D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 7 A= 0.181912D+02 B= 0.563733D+03 U= 0.943914D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 8 A= 0.181912D+02 B= 0.848320D+02 U= 0.174295D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 9 A= 0.181912D+02 B= 0.181912D+02 U= 0.443116D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 2 C2ShlIJ= 2 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.56D+00 0.56D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 10 A= 0.229321D+02 B= 0.563733D+03 U=-0.134692D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 11 A= 0.229321D+02 B= 0.848320D+02 U=-0.235328D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 12 A= 0.229321D+02 B= 0.181912D+02 U=-0.532622D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 13 A= 0.177572D+01 B= 0.563733D+03 U= 0.150466D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 14 A= 0.177572D+01 B= 0.848320D+02 U= 0.345318D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 15 A= 0.177572D+01 B= 0.181912D+02 U= 0.166438D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 16 A= 0.557600D+00 B= 0.563733D+03 U= 0.540830D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 17 A= 0.557600D+00 B= 0.848320D+02 U= 0.126376D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 18 A= 0.557600D+00 B= 0.181912D+02 U= 0.655355D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 3 C2ShlIJ= 2 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.48D+00 0.48D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 19 A= 0.229321D+02 B= 0.229321D+02 U= 0.653186D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 20 A= 0.229321D+02 B= 0.177572D+01 U=-0.174649D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 21 A= 0.229321D+02 B= 0.557600D+00 U=-0.675023D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 22 A= 0.177572D+01 B= 0.229321D+02 U=-0.174649D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 23 A= 0.177572D+01 B= 0.177572D+01 U= 0.338828D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 24 A= 0.177572D+01 B= 0.557600D+00 U= 0.227951D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 25 A= 0.557600D+00 B= 0.229321D+02 U=-0.675023D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 26 A= 0.557600D+00 B= 0.177572D+01 U= 0.227951D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 27 A= 0.557600D+00 B= 0.557600D+00 U= 0.247168D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 4 C2ShlIJ= 3 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.11D+00 0.11D+00
C2CDif= 0.000000 1.430901 -1.108324
IJP= 28 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
C= 0.100000D+01
P2P= 0.000000D+00 0.224942D-01 0.204242D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 29 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
C= 0.100000D+01
P2P= 0.000000D+00 0.137296D+00 0.115320D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 30 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.473739D+00-0.145276D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJP= 31 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
C= 0.100000D+01
P2P= 0.000000D+00 0.345102D-02 0.218992D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 32 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.226250D-01 0.204140D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 33 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.997312D-01 0.144417D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJP= 34 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.768162D-03 0.221070D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 35 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.508924D-02 0.217723D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 36 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.234276D-01 0.203519D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJShl= 5 C2ShlIJ= 3 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.19D+00 0.19D+00
C2CDif= 0.000000 1.430901 -1.108324
IJP= 37 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
C= 0.100000D+01
P2P= 0.000000D+00 0.403413D+00-0.908043D-01
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 38 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.119518D+01-0.704081D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 39 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.134745D+01-0.822023D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJP= 40 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.802701D-01 0.159491D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 41 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.621345D+00-0.259606D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 42 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.101545D+01-0.564865D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJP= 43 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.186475D-01 0.207221D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 44 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.208452D+00 0.602054D-01
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 45 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.503572D+00-0.168384D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJShl= 6 C2ShlIJ= 3 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.33D+00 0.33D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 46 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 47 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 48 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 49 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 50 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 51 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 52 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 53 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 54 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 7 C2ShlIJ= 4 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.11D+00 0.11D+00
C2CDif= 0.000000 -1.430901 -1.108324
IJP= 55 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
C= 0.100000D+01
P2P= 0.000000D+00-0.224942D-01 0.204242D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 56 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
C= 0.100000D+01
P2P= 0.000000D+00-0.137296D+00 0.115320D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 57 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
C= 0.100000D+01
P2P= 0.000000D+00-0.473739D+00-0.145276D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJP= 58 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
C= 0.100000D+01
P2P= 0.000000D+00-0.345102D-02 0.218992D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 59 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.226250D-01 0.204140D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 60 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.997312D-01 0.144417D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJP= 61 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.768162D-03 0.221070D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 62 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.508924D-02 0.217723D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 63 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.234276D-01 0.203519D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJShl= 8 C2ShlIJ= 4 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.19D+00 0.19D+00
C2CDif= 0.000000 -1.430901 -1.108324
IJP= 64 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
C= 0.100000D+01
P2P= 0.000000D+00-0.403413D+00-0.908043D-01
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 65 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.119518D+01-0.704081D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 66 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.134745D+01-0.822023D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJP= 67 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.802701D-01 0.159491D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 68 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.621345D+00-0.259606D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 69 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.101545D+01-0.564865D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJP= 70 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.186475D-01 0.207221D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 71 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.208452D+00 0.602054D-01
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 72 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.503572D+00-0.168384D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJShl= 9 C2ShlIJ= 4 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.18D+00 0.18D+00
C2CDif= 0.000000 -2.861801 0.000000
IJP= 73 A= 0.900360D+01 B= 0.900360D+01 U= 0.489458D-10
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 74 A= 0.900360D+01 B= 0.136289D+01 U= 0.125313D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.105466D+01-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 75 A= 0.900360D+01 B= 0.302796D+00 U= 0.290652D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.133779D+01-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJP= 76 A= 0.136289D+01 B= 0.900360D+01 U= 0.125313D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.105466D+01-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 77 A= 0.136289D+01 B= 0.136289D+01 U= 0.102108D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 78 A= 0.136289D+01 B= 0.302796D+00 U= 0.648845D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.910669D+00-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJP= 79 A= 0.302796D+00 B= 0.900360D+01 U= 0.290652D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.133779D+01-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 80 A= 0.302796D+00 B= 0.136289D+01 U= 0.648845D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.910669D+00-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 81 A= 0.302796D+00 B= 0.302796D+00 U= 0.225719D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJShl= 10 C2ShlIJ= 4 4 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.33D+00 0.33D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 82 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 83 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 84 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 85 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 86 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 87 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 88 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 89 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 90 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJTC= 2 IType= 2 JType= 1 T2N2St= 3
IJTN= 3 NPrm= 9 0 C2St= 11 PDSt= 91 PCSt= 91
IJTN= 4 NPrm= 9 0 C2St= 11 PDSt= 91 PCSt= 91
IJShl= 11 C2ShlIJ= 5 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.21D+01 0.21D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 91 A= 0.160945D+02 B= 0.563733D+03 U= 0.158147D-04
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 92 A= 0.160945D+02 B= 0.848320D+02 U= 0.172088D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 93 A= 0.160945D+02 B= 0.181912D+02 U= 0.136505D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 94 A= 0.333684D+01 B= 0.563733D+03 U= 0.897053D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 95 A= 0.333684D+01 B= 0.848320D+02 U= 0.129443D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 96 A= 0.333684D+01 B= 0.181912D+02 U= 0.234434D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 97 A= 0.745020D+00 B= 0.563733D+03 U= 0.179133D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 98 A= 0.745020D+00 B= 0.848320D+02 U= 0.275332D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 99 A= 0.745020D+00 B= 0.181912D+02 U= 0.637795D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 12 C2ShlIJ= 5 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.11D+01 0.11D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 100 A= 0.160945D+02 B= 0.229321D+02 U=-0.142635D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 101 A= 0.160945D+02 B= 0.177572D+01 U= 0.106285D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 102 A= 0.160945D+02 B= 0.557600D+00 U= 0.454300D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 103 A= 0.333684D+01 B= 0.229321D+02 U=-0.205885D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 104 A= 0.333684D+01 B= 0.177572D+01 U= 0.130257D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 105 A= 0.333684D+01 B= 0.557600D+00 U= 0.921516D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 106 A= 0.745020D+00 B= 0.229321D+02 U=-0.526977D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 107 A= 0.745020D+00 B= 0.177572D+01 U= 0.150648D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 108 A= 0.745020D+00 B= 0.557600D+00 U= 0.281161D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 13 C2ShlIJ= 5 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.30D+00 0.30D+00
C2CDif= 0.000000 -1.430901 1.108324
IJP= 109 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
C= 0.100000D+01
P2P= 0.000000D+00 0.513316D+00-0.175932D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 110 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.111710D+00 0.135139D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 111 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.264234D-01 0.201198D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJP= 112 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.104399D+01-0.586970D+00
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 113 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.414951D+00-0.997414D-01
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 114 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.119042D+00 0.129459D+00
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJP= 115 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.132155D+01-0.801958D+00
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 116 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.925162D+00-0.494933D+00
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 117 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.413499D+00-0.986167D-01
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJShl= 14 C2ShlIJ= 5 4 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.30D+00 0.30D+00
C2CDif= 0.000000 1.430901 1.108324
IJP= 118 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
C= 0.100000D+01
P2P= 0.000000D+00-0.513316D+00-0.175932D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 119 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.111710D+00 0.135139D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 120 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.264234D-01 0.201198D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJP= 121 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.104399D+01-0.586970D+00
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 122 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.414951D+00-0.997414D-01
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 123 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.119042D+00 0.129459D+00
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJP= 124 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.132155D+01-0.801958D+00
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 125 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.925162D+00-0.494933D+00
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 126 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.413499D+00-0.986167D-01
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJTC= 3 IType= 2 JType= 2 T2N2St= 5
IJTN= 5 NPrm= 9 0 C2St= 15 PDSt= 127 PCSt= 127
IJTN= 6 NPrm= 9 0 C2St= 15 PDSt= 127 PCSt= 127
IJShl= 15 C2ShlIJ= 5 5 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.29D+01 0.29D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 127 A= 0.160945D+02 B= 0.160945D+02 U= 0.479769D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 128 A= 0.160945D+02 B= 0.333684D+01 U= 0.150609D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 129 A= 0.160945D+02 B= 0.745020D+00 U= 0.490727D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 130 A= 0.333684D+01 B= 0.160945D+02 U= 0.150609D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 131 A= 0.333684D+01 B= 0.333684D+01 U= 0.340355D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 132 A= 0.333684D+01 B= 0.745020D+00 U= 0.375484D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 133 A= 0.745020D+00 B= 0.160945D+02 U= 0.490727D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 134 A= 0.745020D+00 B= 0.333684D+01 U= 0.375484D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 135 A= 0.745020D+00 B= 0.745020D+00 U= 0.252223D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJTC= 4 IType= 3 JType= 4 T2N2St= 7
IJTN= 7 NPrm= 1 1 C2St= 16 PDSt= 136 PCSt= 136
IJShl= 16 C2ShlIJ= 6 6 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 1 C2KMax= 0.14D+02 0.14D+02
C2CDif= 0.000000 0.000000 0.000000
IJP= 136 A= 0.100000D+01 B= 0.000000D+00 U= 0.100000D+01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJTN= 8 NPrm= 1 1 C2St= 17 PDSt= 137 PCSt= 137
Multipole Integrals
The Identity operator will be used
PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 NPAlg=1 LenDen= 0.
Prism: IPart= 0 DynPar=F LinDyn=F Incr= 1.
PRISM was handed 33551387 working-precision words and 15 shell-pairs
PRISM will use Minimum- Mop paths
[0] accuracy = 0.10D-12 Chebyshev Delta = 0.12D-02 Critical T = 28.20 # of points = 11979
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 0 0 to 0
==========================================================
-------------------
The (pp|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 33549244.
After MaxDer, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 29
No. of target [m0|n0] = 19
No. of locations needed = 20
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
96 99999 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
9999999999999999999999999999999999999999 0 0 0 0 36 36 36 36
0 0 0 0 0 0 0 0 0 0 0 0 36 36 36 36
VR1 cost = 174
Bra-TRn cost = 216
Ket-TRn cost = 0
Space needed for drivers = 2680
Space needed for driver formation = 3900
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 0
C38 = 0
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
37 19 20 1 0 0 0 0 1 0 0 1 0
Prsmar: KBra= 9 KKet= 1 PsmPth=29 Kost= 1934 NPerS4= 603 nW0= 180 nW1= 19 nW2= 180 nW0X= 0 NPS4B= 217 jEnd= 133534 LenV= 33551387 MaxCom= 217
-------------------
The (ps|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 33550620.
After MaxDer, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 29
No. of target [m0|n0] = 9
No. of locations needed = 10
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
39 99999 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
9999999999999999999999999999999999999999 0 0 0 0 12 12 12 12
0 0 0 0 0 0 0 0 0 0 0 0 12 12 12 12
VR1 cost = 67
Bra-TRn cost = 36
Ket-TRn cost = 0
Space needed for drivers = 1001
Space needed for driver formation = 1220
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 0
C38 = 0
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
13 9 10 1 0 0 0 0 0 0 0 1 0
Prsmar: KBra= 9 KKet= 1 PsmPth=29 Kost= 711 NPerS4= 417 nW0= 90 nW1= 9 nW2= 90 nW0X= 0 NPS4B= 201 jEnd= 131945 LenV= 33551387 MaxCom= 314
-------------------
The (ss|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 1 Memory= 33551081.
After MaxDer, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 29
No. of target [m0|n0] = 4
No. of locations needed = 4
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
7 99999 99999 99999 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
9999999999999999999999999999999999999999 0 0 0 0 4 4 4 4
0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 4
VR1 cost = 15
Bra-TRn cost = 12
Ket-TRn cost = 0
Space needed for drivers = 392
Space needed for driver formation = 506
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 0
C38 = 0
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
4 4 4 1 0 0 0 0 0 0 0 1 0
Prsmar: KBra= 9 KKet= 1 PsmPth=29 Kost= 179 NPerS4= 310 nW0= 36 nW1= 4 nW2= 36 nW0X= 0 NPS4B= 196 jEnd= 131224 LenV= 33551387 MaxCom= 422
IPart= 0 NShTot= 15 NBatch= 3 AvBLen= 5.0
PrSmSu: NxtVal= 2.
Multipole matrices IBuc= 518 IX= 1 IJ= 1:
1 2 3 4 5
1 0.000000D+00
2 0.000000D+00 0.000000D+00
3 0.467890D-01 0.665377D+00 0.000000D+00
4 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.000000D+00 0.000000D+00 0.422167D+00 0.000000D+00 0.000000D+00
7 0.000000D+00 0.000000D+00 0.422167D+00 0.000000D+00 0.000000D+00
6 7
6 0.000000D+00
7 0.000000D+00 0.000000D+00
Multipole matrices IBuc= 518 IX= 2 IJ= 1:
1 2 3 4 5
1 0.000000D+00
2 0.000000D+00 0.000000D+00
3 0.000000D+00 0.000000D+00 0.000000D+00
4 0.467890D-01 0.665377D+00 0.000000D+00 0.000000D+00
5 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00 0.000000D+00
6 0.211068D-02 0.283582D+00 0.000000D+00 0.614883D+00 -0.149270D+00
7 -0.211068D-02 -0.283582D+00 0.000000D+00 0.614883D+00 0.149270D+00
6 7
6 0.143090D+01
7 0.000000D+00 -0.143090D+01
Multipole matrices IBuc= 518 IX= 3 IJ= 1:
1 2 3 4 5
1 0.221665D+00
2 0.450083D-01 0.221665D+00
3 0.000000D+00 0.000000D+00 0.221665D+00
4 0.000000D+00 0.000000D+00 0.000000D+00 0.221665D+00
5 0.467890D-01 0.665377D+00 0.000000D+00 0.000000D+00 0.221665D+00
6 0.105983D-01 -0.103366D+00 0.000000D+00 -0.792321D-01 0.483538D+00
7 0.105983D-01 -0.103366D+00 0.000000D+00 0.792321D-01 0.483538D+00
6 7
6 -0.886660D+00
7 -0.329627D+00 -0.886660D+00
ReDoC1: IPurDI=1 IPurFI=1 IPurDO=1 IPurFO=1.
MO coefficients before ReDoC1:
1 2 3
1 0.105279D+02 0.000000D+00 0.000000D+00
2 0.156490D+00 0.752438D-01 0.752438D-01
3 0.000000D+00 0.000000D+00 0.000000D+00
4 0.000000D+00 0.115196D+00 -0.115196D+00
5 0.000000D+00 -0.892265D-01 -0.892265D-01
6 0.916236D-01 0.485232D+00 0.332490D-01
7 0.916236D-01 0.332490D-01 0.485232D+00
MO coefficients after ReDoC1:
1 2 3
1 0.105279D+02 0.000000D+00 0.000000D+00
2 0.156490D+00 0.752438D-01 0.752438D-01
3 0.000000D+00 0.000000D+00 0.000000D+00
4 0.000000D+00 0.115196D+00 -0.115196D+00
5 0.000000D+00 -0.892265D-01 -0.892265D-01
6 0.916236D-01 0.485232D+00 0.332490D-01
7 0.916236D-01 0.332490D-01 0.485232D+00
Fermi contact integrals:
1 2 3
1 0.105279D+02 0.000000D+00 0.000000D+00
2 0.156490D+00 0.752438D-01 0.752438D-01
3 0.000000D+00 0.000000D+00 0.000000D+00
4 0.000000D+00 0.115196D+00 -0.115196D+00
5 0.000000D+00 -0.892265D-01 -0.892265D-01
6 0.916236D-01 0.485232D+00 0.332490D-01
7 0.916236D-01 0.332490D-01 0.485232D+00
Leave Link 303 at Wed Aug 8 02:50:23 2018, MaxMem= 33554432 cpu: 0.1
(Enter /ghome/chihiro/gaussian/g09-d.01/l320.exe)
Enter DskPsm, NBasis= 7 NBas6D= 7 NShell= 5 IDoSP=3.
Generating unsorted Raff 1 combos
Symmetry not used in DskPsm.
ShPair: Thresh= 1.00D-12 NBox= 0 BxSize= 0.00D+00 RnKept= 2.86D+00
NSMCal= 15 NSMKep= 15
NShlT= 5 NTypes= 2 LenT1= 15 LenC1= 7
LenT2= 4 LenN2= 180 LenC2= 16 LenP2D= 135
LenP2C= 135
IType= 1 ShlT= 0 ShlC= 0 T1C1St= 1
ISh= 1 C1NPrm= 3 C1ESt= 1 C1CSt= 1
C1SMap= 1 C1AOS= 1 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 1 P1Exp= 2.82D+02 P1CMax= 3.39D+00
IPrm= 2 P1Exp= 4.24D+01 P1CMax= 4.66D+00
IPrm= 3 P1Exp= 9.10D+00 P1CMax= 2.48D+00
ISh= 2 C1NPrm= 3 C1ESt= 4 C1CSt= 4
C1SMap= 2 C1AOS= 2 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 4 P1Exp= 1.15D+01 P1CMax= 3.59D-01
IPrm= 5 P1Exp= 8.88D-01 P1CMax= 3.79D-01
IPrm= 6 P1Exp= 2.79D-01 P1CMax= 1.36D-01
ISh= 3 C1NPrm= 3 C1ESt= 7 C1CSt= 7
C1SMap= 4 C1AOS= 6 C1Cent= 2
CentXYZ= 0.000000 1.430901 -0.886660
IPrm= 7 P1Exp= 4.50D+00 P1CMax= 1.55D-01
IPrm= 8 P1Exp= 6.81D-01 P1CMax= 2.18D-01
IPrm= 9 P1Exp= 1.51D-01 P1CMax= 1.12D-01
ISh= 4 C1NPrm= 3 C1ESt= 10 C1CSt= 10
C1SMap= 5 C1AOS= 7 C1Cent= 3
CentXYZ= 0.000000 -1.430901 -0.886660
IPrm= 10 P1Exp= 4.50D+00 P1CMax= 1.55D-01
IPrm= 11 P1Exp= 6.81D-01 P1CMax= 2.18D-01
IPrm= 12 P1Exp= 1.51D-01 P1CMax= 1.12D-01
IType= 2 ShlT= 1 ShlC= 1 T1C1St= 5
ISh= 5 C1NPrm= 3 C1ESt= 13 C1CSt= 13
C1SMap= 3 C1AOS= 3 C1Cent= 1
CentXYZ= 0.000000 0.000000 0.221665
IPrm= 13 P1Exp= 8.05D+00 P1CMax= 2.40D+00
IPrm= 14 P1Exp= 1.67D+00 P1CMax= 1.29D+00
IPrm= 15 P1Exp= 3.73D-01 P1CMax= 2.54D-01
IJTC= 1 IType= 1 JType= 1 T2N2St= 1
IJTN= 1 NPrm= 9 3 C2St= 1 PDSt= 1 PCSt= 1
IJTN= 2 NPrm= 9 3 C2St= 1 PDSt= 1 PCSt= 1
IJShl= 1 C2ShlIJ= 1 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.20D+01 0.20D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 1 A= 0.563733D+03 B= 0.563733D+03 U= 0.476929D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 2 A= 0.563733D+03 B= 0.848320D+02 U= 0.150361D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 3 A= 0.563733D+03 B= 0.181912D+02 U= 0.943914D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 4 A= 0.848320D+02 B= 0.563733D+03 U= 0.150361D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 5 A= 0.848320D+02 B= 0.848320D+02 U= 0.154574D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 6 A= 0.848320D+02 B= 0.181912D+02 U= 0.174295D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 7 A= 0.181912D+02 B= 0.563733D+03 U= 0.943914D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 8 A= 0.181912D+02 B= 0.848320D+02 U= 0.174295D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 9 A= 0.181912D+02 B= 0.181912D+02 U= 0.443116D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 2 C2ShlIJ= 2 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.56D+00 0.56D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 10 A= 0.229321D+02 B= 0.563733D+03 U=-0.134692D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 11 A= 0.229321D+02 B= 0.848320D+02 U=-0.235328D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 12 A= 0.229321D+02 B= 0.181912D+02 U=-0.532622D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 13 A= 0.177572D+01 B= 0.563733D+03 U= 0.150466D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 14 A= 0.177572D+01 B= 0.848320D+02 U= 0.345318D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 15 A= 0.177572D+01 B= 0.181912D+02 U= 0.166438D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 16 A= 0.557600D+00 B= 0.563733D+03 U= 0.540830D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 17 A= 0.557600D+00 B= 0.848320D+02 U= 0.126376D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 18 A= 0.557600D+00 B= 0.181912D+02 U= 0.655355D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 3 C2ShlIJ= 2 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.48D+00 0.48D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 19 A= 0.229321D+02 B= 0.229321D+02 U= 0.653186D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 20 A= 0.229321D+02 B= 0.177572D+01 U=-0.174649D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 21 A= 0.229321D+02 B= 0.557600D+00 U=-0.675023D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 22 A= 0.177572D+01 B= 0.229321D+02 U=-0.174649D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 23 A= 0.177572D+01 B= 0.177572D+01 U= 0.338828D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 24 A= 0.177572D+01 B= 0.557600D+00 U= 0.227951D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 25 A= 0.557600D+00 B= 0.229321D+02 U=-0.675023D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 26 A= 0.557600D+00 B= 0.177572D+01 U= 0.227951D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 27 A= 0.557600D+00 B= 0.557600D+00 U= 0.247168D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 4 C2ShlIJ= 3 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.11D+00 0.11D+00
C2CDif= 0.000000 1.430901 -1.108324
IJP= 28 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
C= 0.100000D+01
P2P= 0.000000D+00 0.224942D-01 0.204242D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 29 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
C= 0.100000D+01
P2P= 0.000000D+00 0.137296D+00 0.115320D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 30 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.473739D+00-0.145276D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJP= 31 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
C= 0.100000D+01
P2P= 0.000000D+00 0.345102D-02 0.218992D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 32 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.226250D-01 0.204140D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 33 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.997312D-01 0.144417D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJP= 34 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.768162D-03 0.221070D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.806646D+03 0.624799D+03
IJP= 35 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.508924D-02 0.217723D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.121386D+03 0.940214D+02
IJP= 36 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.234276D-01 0.203519D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.260299D+02 0.201618D+02
IJShl= 5 C2ShlIJ= 3 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.19D+00 0.19D+00
C2CDif= 0.000000 1.430901 -1.108324
IJP= 37 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
C= 0.100000D+01
P2P= 0.000000D+00 0.403413D+00-0.908043D-01
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 38 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.119518D+01-0.704081D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 39 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.134745D+01-0.822023D+00
P2PMA= 0.000000D+00 0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJP= 40 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.802701D-01 0.159491D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 41 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.621345D+00-0.259606D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 42 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.101545D+01-0.564865D+00
P2PMA= 0.000000D+00 0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJP= 43 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.186475D-01 0.207221D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.328135D+02 0.254162D+02
IJP= 44 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.208452D+00 0.602054D-01
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.254088D+01 0.196807D+01
IJP= 45 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.503572D+00-0.168384D+00
P2PMA= 0.000000D+00 0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00-0.797870D+00 0.618002D+00
IJShl= 6 C2ShlIJ= 3 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.33D+00 0.33D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 46 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 47 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 48 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 49 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 50 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 51 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 52 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 53 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 54 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 7 C2ShlIJ= 4 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.11D+00 0.11D+00
C2CDif= 0.000000 -1.430901 -1.108324
IJP= 55 A= 0.900360D+01 B= 0.563733D+03 U= 0.299832D-09
C= 0.100000D+01
P2P= 0.000000D+00-0.224942D-01 0.204242D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 56 A= 0.900360D+01 B= 0.848320D+02 U= 0.203031D-07
C= 0.100000D+01
P2P= 0.000000D+00-0.137296D+00 0.115320D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 57 A= 0.900360D+01 B= 0.181912D+02 U= 0.222565D-05
C= 0.100000D+01
P2P= 0.000000D+00-0.473739D+00-0.145276D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJP= 58 A= 0.136289D+01 B= 0.563733D+03 U= 0.933404D-04
C= 0.100000D+01
P2P= 0.000000D+00-0.345102D-02 0.218992D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 59 A= 0.136289D+01 B= 0.848320D+02 U= 0.222064D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.226250D-01 0.204140D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 60 A= 0.136289D+01 B= 0.181912D+02 U= 0.123666D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.997312D-01 0.144417D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJP= 61 A= 0.302796D+00 B= 0.563733D+03 U= 0.271714D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.768162D-03 0.221070D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.806646D+03 0.624799D+03
IJP= 62 A= 0.302796D+00 B= 0.848320D+02 U= 0.638290D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.508924D-02 0.217723D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.121386D+03 0.940214D+02
IJP= 63 A= 0.302796D+00 B= 0.181912D+02 U= 0.338500D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.234276D-01 0.203519D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.260299D+02 0.201618D+02
IJShl= 8 C2ShlIJ= 4 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.19D+00 0.19D+00
C2CDif= 0.000000 -1.430901 -1.108324
IJP= 64 A= 0.900360D+01 B= 0.229321D+02 U=-0.122375D-06
C= 0.100000D+01
P2P= 0.000000D+00-0.403413D+00-0.908043D-01
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 65 A= 0.900360D+01 B= 0.177572D+01 U= 0.230845D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.119518D+01-0.704081D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 66 A= 0.900360D+01 B= 0.557600D+00 U= 0.475561D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.134745D+01-0.822023D+00
P2PMA= 0.000000D+00-0.128833D+02-0.997891D+01
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJP= 67 A= 0.136289D+01 B= 0.229321D+02 U=-0.125125D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.802701D-01 0.159491D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 68 A= 0.136289D+01 B= 0.177572D+01 U= 0.662643D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.621345D+00-0.259606D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 69 A= 0.136289D+01 B= 0.557600D+00 U= 0.917283D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.101545D+01-0.564865D+00
P2PMA= 0.000000D+00-0.195016D+01-0.151052D+01
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJP= 70 A= 0.302796D+00 B= 0.229321D+02 U=-0.346635D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.186475D-01 0.207221D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.328135D+02 0.254162D+02
IJP= 71 A= 0.302796D+00 B= 0.177572D+01 U= 0.146283D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.208452D+00 0.602054D-01
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.254088D+01 0.196807D+01
IJP= 72 A= 0.302796D+00 B= 0.557600D+00 U= 0.217980D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.503572D+00-0.168384D+00
P2PMA= 0.000000D+00-0.433271D+00-0.335596D+00
P2PMB= 0.000000D+00 0.797870D+00 0.618002D+00
IJShl= 9 C2ShlIJ= 4 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.18D+00 0.18D+00
C2CDif= 0.000000 -2.861801 0.000000
IJP= 73 A= 0.900360D+01 B= 0.900360D+01 U= 0.489458D-10
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 74 A= 0.900360D+01 B= 0.136289D+01 U= 0.125313D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.105466D+01-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 75 A= 0.900360D+01 B= 0.302796D+00 U= 0.290652D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.133779D+01-0.886660D+00
P2PMA= 0.000000D+00-0.257665D+02 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJP= 76 A= 0.136289D+01 B= 0.900360D+01 U= 0.125313D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.105466D+01-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 77 A= 0.136289D+01 B= 0.136289D+01 U= 0.102108D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 78 A= 0.136289D+01 B= 0.302796D+00 U= 0.648845D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.910669D+00-0.886660D+00
P2PMA= 0.000000D+00-0.390031D+01 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJP= 79 A= 0.302796D+00 B= 0.900360D+01 U= 0.290652D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.133779D+01-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.257665D+02 0.000000D+00
IJP= 80 A= 0.302796D+00 B= 0.136289D+01 U= 0.648845D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.910669D+00-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.390031D+01 0.000000D+00
IJP= 81 A= 0.302796D+00 B= 0.302796D+00 U= 0.225719D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00-0.886660D+00
P2PMA= 0.000000D+00-0.866542D+00 0.000000D+00
P2PMB= 0.000000D+00 0.866542D+00 0.000000D+00
IJShl= 10 C2ShlIJ= 4 4 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.33D+00 0.33D+00
C2CDif= 0.000000 0.000000 0.000000
IJP= 82 A= 0.900360D+01 B= 0.900360D+01 U= 0.496348D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 83 A= 0.900360D+01 B= 0.136289D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 84 A= 0.900360D+01 B= 0.302796D+00 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 85 A= 0.136289D+01 B= 0.900360D+01 U= 0.159633D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 86 A= 0.136289D+01 B= 0.136289D+01 U= 0.166322D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 87 A= 0.136289D+01 B= 0.302796D+00 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 88 A= 0.302796D+00 B= 0.900360D+01 U= 0.964605D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 89 A= 0.302796D+00 B= 0.136289D+01 U= 0.178957D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 90 A= 0.302796D+00 B= 0.302796D+00 U= 0.419583D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.143090D+01-0.886660D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJTC= 2 IType= 2 JType= 1 T2N2St= 3
IJTN= 3 NPrm= 9 3 C2St= 11 PDSt= 91 PCSt= 91
IJTN= 4 NPrm= 9 3 C2St= 11 PDSt= 91 PCSt= 91
IJShl= 11 C2ShlIJ= 5 1 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.21D+01 0.21D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 91 A= 0.160945D+02 B= 0.563733D+03 U= 0.158147D-04
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 92 A= 0.160945D+02 B= 0.848320D+02 U= 0.172088D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 93 A= 0.160945D+02 B= 0.181912D+02 U= 0.136505D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 94 A= 0.333684D+01 B= 0.563733D+03 U= 0.897053D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 95 A= 0.333684D+01 B= 0.848320D+02 U= 0.129443D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 96 A= 0.333684D+01 B= 0.181912D+02 U= 0.234434D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 97 A= 0.745020D+00 B= 0.563733D+03 U= 0.179133D-05
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 98 A= 0.745020D+00 B= 0.848320D+02 U= 0.275332D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 99 A= 0.745020D+00 B= 0.181912D+02 U= 0.637795D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 12 C2ShlIJ= 5 2 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.11D+01 0.11D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 100 A= 0.160945D+02 B= 0.229321D+02 U=-0.142635D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 101 A= 0.160945D+02 B= 0.177572D+01 U= 0.106285D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 102 A= 0.160945D+02 B= 0.557600D+00 U= 0.454300D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 103 A= 0.333684D+01 B= 0.229321D+02 U=-0.205885D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 104 A= 0.333684D+01 B= 0.177572D+01 U= 0.130257D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 105 A= 0.333684D+01 B= 0.557600D+00 U= 0.921516D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 106 A= 0.745020D+00 B= 0.229321D+02 U=-0.526977D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 107 A= 0.745020D+00 B= 0.177572D+01 U= 0.150648D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 108 A= 0.745020D+00 B= 0.557600D+00 U= 0.281161D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJShl= 13 C2ShlIJ= 5 3 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.30D+00 0.30D+00
C2CDif= 0.000000 -1.430901 1.108324
IJP= 109 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
C= 0.100000D+01
P2P= 0.000000D+00 0.513316D+00-0.175932D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 110 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.111710D+00 0.135139D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 111 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.264234D-01 0.201198D+00
P2PMA= 0.000000D+00-0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJP= 112 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.104399D+01-0.586970D+00
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 113 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.414951D+00-0.997414D-01
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 114 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.119042D+00 0.129459D+00
P2PMA= 0.000000D+00-0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJP= 115 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.132155D+01-0.801958D+00
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.128833D+02-0.997891D+01
IJP= 116 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.925162D+00-0.494933D+00
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.195016D+01-0.151052D+01
IJP= 117 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.413499D+00-0.986167D-01
P2PMA= 0.000000D+00-0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00 0.433271D+00-0.335596D+00
IJShl= 14 C2ShlIJ= 5 4 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.30D+00 0.30D+00
C2CDif= 0.000000 1.430901 1.108324
IJP= 118 A= 0.160945D+02 B= 0.900360D+01 U= 0.145315D-06
C= 0.100000D+01
P2P= 0.000000D+00-0.513316D+00-0.175932D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 119 A= 0.160945D+02 B= 0.136289D+01 U= 0.826712D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.111710D+00 0.135139D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 120 A= 0.160945D+02 B= 0.302796D+00 U= 0.239168D-02
C= 0.100000D+01
P2P= 0.000000D+00-0.264234D-01 0.201198D+00
P2PMA= 0.000000D+00 0.230296D+02 0.178379D+02
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJP= 121 A= 0.333684D+01 B= 0.900360D+01 U= 0.109130D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.104399D+01-0.586970D+00
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 122 A= 0.333684D+01 B= 0.136289D+01 U= 0.189311D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.414951D+00-0.997414D-01
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 123 A= 0.333684D+01 B= 0.302796D+00 U= 0.570862D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.119042D+00 0.129459D+00
P2PMA= 0.000000D+00 0.477469D+01 0.369830D+01
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJP= 124 A= 0.745020D+00 B= 0.900360D+01 U= 0.678649D-03
C= 0.100000D+01
P2P= 0.000000D+00-0.132155D+01-0.801958D+00
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.128833D+02-0.997891D+01
IJP= 125 A= 0.745020D+00 B= 0.136289D+01 U= 0.614891D-01
C= 0.100000D+01
P2P= 0.000000D+00-0.925162D+00-0.494933D+00
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.195016D+01-0.151052D+01
IJP= 126 A= 0.745020D+00 B= 0.302796D+00 U= 0.280654D+00
C= 0.100000D+01
P2P= 0.000000D+00-0.413499D+00-0.986167D-01
P2PMA= 0.000000D+00 0.106605D+01 0.825724D+00
P2PMB= 0.000000D+00-0.433271D+00-0.335596D+00
IJTC= 3 IType= 2 JType= 2 T2N2St= 5
IJTN= 5 NPrm= 9 3 C2St= 15 PDSt= 127 PCSt= 127
IJTN= 6 NPrm= 9 3 C2St= 15 PDSt= 127 PCSt= 127
IJShl= 15 C2ShlIJ= 5 5 C2CelJ= 1 C2LocIJ= 1 1 C2FPrm= 9 C2KMax= 0.29D+01 0.29D+01
C2CDif= 0.000000 0.000000 0.000000
IJP= 127 A= 0.160945D+02 B= 0.160945D+02 U= 0.479769D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 128 A= 0.160945D+02 B= 0.333684D+01 U= 0.150609D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 129 A= 0.160945D+02 B= 0.745020D+00 U= 0.490727D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 130 A= 0.333684D+01 B= 0.160945D+02 U= 0.150609D-02
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 131 A= 0.333684D+01 B= 0.333684D+01 U= 0.340355D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 132 A= 0.333684D+01 B= 0.745020D+00 U= 0.375484D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 133 A= 0.745020D+00 B= 0.160945D+02 U= 0.490727D-03
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 134 A= 0.745020D+00 B= 0.333684D+01 U= 0.375484D-01
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
IJP= 135 A= 0.745020D+00 B= 0.745020D+00 U= 0.252223D+00
C= 0.100000D+01
P2P= 0.000000D+00 0.000000D+00 0.221665D+00
P2PMA= 0.000000D+00 0.000000D+00 0.000000D+00
P2PMB= 0.000000D+00 0.000000D+00 0.000000D+00
NGot= 33292287 Memory for integrals= 33288236 for sort= 0.
Out2e will use a cutoff of 1.00D-10
PrRfSu: IncDef= 512 NBBP= 120 NTPThr= 100 NPartT= 2 Incr= 1 LDynOK=F.
PrRfSu: NPrtUS= 2 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0.
PrmRaf was handed 16642749 working-precision words and 15 shell-pairs
PrmRaf will use Minimum- Mop paths
PrmRaf: IPart= 0 DynPar=F LinDyn=F Incr= 1.
PrmRaf was handed 16642749 working-precision words and 15 shell-pairs
PrmRaf will use Minimum- Mop paths
[0] accuracy = 0.10D-11 Chebyshev Delta = 0.21D-02 Critical T = 25.98 # of points = 6206
[0] accuracy = 0.10D-11 Chebyshev Delta = 0.21D-02 Critical T = 25.98 # of points = 6206
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 0 0 to 0
==========================================================
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 0 0 to 0
==========================================================
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 0 0 to 0
==========================================================
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 0 0 to 0
==========================================================
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 0 0 to 0
==========================================================
Zone Bra Derivative Range Ket Derivative Range
==========================================================
1 0 to 0 0 to 0
==========================================================
-------------------
The (pp|pp) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16590726.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
-------------------
The (pp|pp) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16590726.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 81
No. of locations needed = 93
No. of target [m0|n0] = 81
No. of locations needed = 93
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
189 1053 1053 2936 900 870 1260 1218 810 810 783 783
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
76 76 269 269 147 147 215 215 90 198 198 126 81 81 81 81
40 40 148 148 89 89 131 131 90 126 126 126 81 81 81 81
VR1 cost = 983
Bra-TRn cost = 324
Ket-TRn cost = 324
Space needed for drivers = 16571
Space needed for driver formation = 21928
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 400
C38 = 784
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
189 1053 1053 2936 900 870 1260 1218 810 810 783 783
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
76 76 269 269 147 147 215 215 90 198 198 126 81 81 81 81
40 40 148 148 89 89 131 131 90 126 126 126 81 81 81 81
VR1 cost = 983
Bra-TRn cost = 324
Ket-TRn cost = 324
Space needed for drivers = 16571
Space needed for driver formation = 21928
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 400
C38 = 784
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
224 40 5 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 13006
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
224 40 5 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 13006
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
224 40 5 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 13006
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
224 40 5 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 13006
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
224 40 5 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 13006
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
224 40 5 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 13006
Prsmal: 3519 729 2670 37
Prsmal: 3519 729 2670 37
-------------------
The (pp|ps) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16591396.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 27
No. of locations needed = 32
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
96 393 300 721 360 348 360 348 108 108 108 108
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
43 27 77 84 68 39 56 68 36 45 45 36 27 27 27 27
23 15 47 47 42 29 42 42 36 36 36 36 27 27 27 27
VR1 cost = 288
Bra-TRn cost = 108
Ket-TRn cost = 0
Space needed for drivers = 6127
Space needed for driver formation = 7188
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 160
C38 = 224
-------------------
The (ps|pp) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16586788.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 27
No. of locations needed = 36
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
96 300 393 721 120 120 168 168 270 270 261 261
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
27 43 84 77 39 68 68 56 30 66 66 42 27 27 27 27
15 23 47 47 29 42 42 42 30 42 42 42 27 27 27 27
VR1 cost = 278
Bra-TRn cost = 0
Ket-TRn cost = 108
Space needed for drivers = 11458
Space needed for driver formation = 12558
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 160
C38 = 224
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
68 15 4 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 3938
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
68 15 4 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 3938
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
68 15 4 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 3911
Prsmal: 2349 378 1851 55
-------------------
The (pp|ps) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16591396.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 27
No. of locations needed = 32
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
96 393 300 721 360 348 360 348 108 108 108 108
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
43 27 77 84 68 39 56 68 36 45 45 36 27 27 27 27
23 15 47 47 42 29 42 42 36 36 36 36 27 27 27 27
VR1 cost = 288
Bra-TRn cost = 108
Ket-TRn cost = 0
Space needed for drivers = 6127
Space needed for driver formation = 7188
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 160
C38 = 224
-------------------
The (ps|pp) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16586788.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 27
No. of locations needed = 36
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
96 300 393 721 120 120 168 168 270 270 261 261
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
27 43 84 77 39 68 68 56 30 66 66 42 27 27 27 27
15 23 47 47 29 42 42 42 30 42 42 42 27 27 27 27
VR1 cost = 278
Bra-TRn cost = 0
Ket-TRn cost = 108
Space needed for drivers = 11458
Space needed for driver formation = 12558
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 160
C38 = 224
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
68 15 4 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 3938
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
68 15 4 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 3938
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
68 15 4 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 3911
Prsmal: 2349 378 1851 55
-------------------
The (pp|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16591823.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 9
No. of locations needed = 10
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
39 93 78 150 90 87 90 87 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
18 9 20 26 22 10 14 22 9 9 9 9 9 9 9 9
10 6 15 15 14 10 14 14 9 9 9 9 9 9 9 9
VR1 cost = 67
Bra-TRn cost = 36
Ket-TRn cost = 0
Space needed for drivers = 2478
Space needed for driver formation = 2667
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 40
C38 = 56
-------------------
The (ps|ps) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16590443.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 9
No. of locations needed = 11
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
39 93 93 150 48 48 48 48 36 36 36 36
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
14 14 22 22 17 17 17 17 12 15 15 12 9 9 9 9
8 8 14 14 13 13 13 13 12 12 12 12 9 9 9 9
VR1 cost = 81
Bra-TRn cost = 0
Ket-TRn cost = 0
Space needed for drivers = 4109
Space needed for driver formation = 4335
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 64
C38 = 64
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
20 6 3 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 1131
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
19 8 3 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 1480
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
19 8 3 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 1480
Prsmal: 1629 261 1248 80
-------------------
The (pp|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16591823.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 9
No. of locations needed = 10
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
39 93 78 150 90 87 90 87 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
18 9 20 26 22 10 14 22 9 9 9 9 9 9 9 9
10 6 15 15 14 10 14 14 9 9 9 9 9 9 9 9
VR1 cost = 67
Bra-TRn cost = 36
Ket-TRn cost = 0
Space needed for drivers = 2478
Space needed for driver formation = 2667
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 40
C38 = 56
-------------------
The (ps|ps) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16590443.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 9
No. of locations needed = 11
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
39 93 93 150 48 48 48 48 36 36 36 36
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
14 14 22 22 17 17 17 17 12 15 15 12 9 9 9 9
8 8 14 14 13 13 13 13 12 12 12 12 9 9 9 9
VR1 cost = 81
Bra-TRn cost = 0
Ket-TRn cost = 0
Space needed for drivers = 4109
Space needed for driver formation = 4335
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 64
C38 = 64
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
20 6 3 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 1131
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
19 8 3 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 1480
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
19 8 3 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 0 1480
Prsmal: 1629 261 1248 80
-------------------
The (ps|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16592770.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 3
No. of locations needed = 4
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
7 15 15 21 12 12 12 12 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
5 4 5 6 5 4 4 5 3 3 3 3 3 3 3 3
3 3 4 4 4 4 4 4 3 3 3 3 3 3 3 3
VR1 cost = 15
Bra-TRn cost = 0
Ket-TRn cost = 0
Space needed for drivers = 668
Space needed for driver formation = 706
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 16
C38 = 16
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
6 3 2 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 380
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
6 3 2 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 380
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
6 3 2 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 380
Prsmal: 1056 168 768 124
-------------------
The (ps|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16592770.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 3
No. of locations needed = 4
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
7 15 15 21 12 12 12 12 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
5 4 5 6 5 4 4 5 3 3 3 3 3 3 3 3
3 3 4 4 4 4 4 4 3 3 3 3 3 3 3 3
VR1 cost = 15
Bra-TRn cost = 0
Ket-TRn cost = 0
Space needed for drivers = 668
Space needed for driver formation = 706
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 16
C38 = 16
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
6 3 2 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 380
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
6 3 2 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 380
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
6 3 2 0 0 0 1 0 1 0 1 0 0
PrmPth: 9 9 10 380
Prsmal: 1056 168 768 124
-------------------
The (ss|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16617837.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 1
No. of locations needed = 1
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
0 0 0 0 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
VR1 cost = 0
Bra-TRn cost = 0
Ket-TRn cost = 0
Space needed for drivers = 185
Space needed for driver formation = 186
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 4
C38 = 4
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
1 1 1 0 0 0 0 0 0 0 0 0 0
PrmPth: 9 9 0 80
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
1 1 1 0 0 0 0 0 0 0 0 0 0
PrmPth: 9 9 0 80
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
1 1 1 0 0 0 0 0 0 0 0 0 0
PrmPth: 9 9 0 80
Prsmal: 772 83 569 169
IPart= 1 NShTot= 30 NBatch= 4 AvBLen= 7.5
-------------------
The (ss|ss) Classes
Not enough memory for any path:
MxKBra= 9 MxKKet= 9 Memory= 16617837.
After MaxDer, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MemPth, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After MxKxxx, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
After UseAlp/DoOS, Avail=TTFFTTFFFFTTFFTFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF
-------------------
Available PRISM Paths: 0 1 4 5 10 11 14 29
No. of target [m0|n0] = 1
No. of locations needed = 1
T1 T2 T3 T4 T5 T6 T7 T8 T9 T10 T11 T12
0 0 0 0 0 0 0 0 0 0 0 0
C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
VR1 cost = 0
Bra-TRn cost = 0
Ket-TRn cost = 0
Space needed for drivers = 185
Space needed for driver formation = 186
KBra KKet Path Mops Wds/S4 MaxCom
C37 = 4
C38 = 4
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
1 1 1 0 0 0 0 0 0 0 0 0 0
PrmPth: 9 9 0 80
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
1 1 1 0 0 0 0 0 0 0 0 0 0
PrmPth: 9 9 0 80
n0SL n1SL n2SL mQP mQB mDP mDB mPA mAB mQC mCD mRA mRC
1 1 1 0 0 0 0 0 0 0 0 0 0
PrmPth: 9 9 0 80
Prsmal: 772 83 569 169
IPart= 0 NShTot= 40 NBatch= 5 AvBLen= 8.0
PrRfSu: NxtVal= 3.
228 integrals produced for a total of 228.
Leave Link 320 at Wed Aug 8 02:50:23 2018, MaxMem= 33554432 cpu: 0.1
(Enter /ghome/chihiro/gaussian/g09-d.01/l316.exe)
*** Dumping Two-Electron integrals ***
ISMode= 1 Mode= 2 IBase= 1 IBasD= 1 131073
DBase= 65537 DBasD= 65537 196609 IReset= 1 1
IntCnt= 228 ITotal= 228 NWIIB= 131072 ISym2E=0
I= 3 J= 3 K= 3 L= 3 R1= 0.203978611993D+00
I= 4 J= 3 K= 4 L= 3 R1= -0.762909144504D-01
I= 5 J= 3 K= 5 L= 3 R1= -0.762909144504D-01
I= 4 J= 4 K= 3 L= 3 R1= 0.713120881787D+00
I= 4 J= 4 K= 4 L= 4 R1= 0.203978611993D+00
I= 5 J= 4 K= 5 L= 4 R1= -0.762909144504D-01
I= 5 J= 5 K= 3 L= 3 R1= 0.713120881787D+00
I= 5 J= 5 K= 4 L= 4 R1= 0.713120881787D+00
I= 5 J= 5 K= 5 L= 5 R1= 0.203978611993D+00
I= 7 J= 3 K= 4 L= 3 R1= 0.380330377726D-01
I= 7 J= 3 K= 5 L= 3 R1= 0.294590288611D-01
I= 7 J= 4 K= 3 L= 3 R1= -0.171633538453D+00
I= 7 J= 4 K= 4 L= 4 R1= -0.978184991281D-01
I= 7 J= 4 K= 5 L= 4 R1= 0.277154568287D-01
I= 7 J= 4 K= 5 L= 5 R1= -0.172984046902D+00
I= 7 J= 5 K= 3 L= 3 R1= -0.132941191631D+00
I= 7 J= 5 K= 4 L= 4 R1= -0.134684763663D+00
I= 7 J= 5 K= 5 L= 4 R1= 0.366825293244D-01
I= 7 J= 5 K= 5 L= 5 R1= -0.750691893827D-01
I= 6 J= 3 K= 4 L= 3 R1= -0.380330377726D-01
I= 6 J= 3 K= 5 L= 3 R1= 0.294590288611D-01
I= 6 J= 4 K= 3 L= 3 R1= 0.171633538453D+00
I= 6 J= 4 K= 4 L= 4 R1= 0.978184991281D-01
I= 6 J= 4 K= 5 L= 4 R1= 0.277154568287D-01
I= 6 J= 4 K= 5 L= 5 R1= 0.172984046902D+00
I= 6 J= 5 K= 3 L= 3 R1= -0.132941191631D+00
I= 6 J= 5 K= 4 L= 4 R1= -0.134684763663D+00
I= 6 J= 5 K= 5 L= 4 R1= -0.366825293244D-01
I= 6 J= 5 K= 5 L= 5 R1= -0.750691893827D-01
I= 3 J= 3 K= 2 L= 1 R1= 0.197359913939D+00
I= 3 J= 2 K= 3 L= 1 R1= -0.265222245907D-01
I= 6 J= 1 K= 3 L= 3 R1= 0.534062972993D-01
I= 6 J= 3 K= 3 L= 1 R1= -0.657282820226D-02
I= 6 J= 6 K= 3 L= 3 R1= 0.441662424993D+00
I= 6 J= 3 K= 6 L= 3 R1= -0.456412851503D-01
I= 7 J= 2 K= 3 L= 3 R1= 0.309749598663D+00
I= 7 J= 3 K= 3 L= 2 R1= -0.375310245153D-01
I= 7 J= 7 K= 3 L= 3 R1= 0.441662424993D+00
I= 7 J= 3 K= 7 L= 3 R1= -0.456412851503D-01
I= 4 J= 4 K= 2 L= 1 R1= 0.197359913939D+00
I= 4 J= 2 K= 4 L= 1 R1= -0.265222245907D-01
I= 6 J= 1 K= 4 L= 4 R1= 0.524961017562D-01
I= 6 J= 4 K= 4 L= 1 R1= -0.505647888755D-02
I= 6 J= 6 K= 4 L= 4 R1= 0.431400165147D+00
I= 6 J= 4 K= 6 L= 4 R1= -0.196137663540D-01
I= 7 J= 2 K= 4 L= 4 R1= 0.307680125563D+00
I= 7 J= 4 K= 4 L= 2 R1= -0.249250325132D-01
I= 7 J= 7 K= 4 L= 4 R1= 0.431400165147D+00
I= 7 J= 4 K= 7 L= 4 R1= -0.196137663540D-01
I= 6 J= 1 K= 5 L= 4 R1= 0.705004867921D-03
I= 6 J= 5 K= 4 L= 1 R1= -0.117450986936D-02
I= 6 J= 6 K= 5 L= 4 R1= 0.794877892240D-02
I= 7 J= 2 K= 5 L= 4 R1= -0.160293974271D-02
I= 7 J= 5 K= 4 L= 2 R1= 0.976414990656D-02
I= 7 J= 7 K= 5 L= 4 R1= -0.794877892240D-02
I= 6 J= 4 K= 5 L= 1 R1= -0.117450986936D-02
I= 6 J= 5 K= 6 L= 4 R1= -0.403199677073D-01
I= 7 J= 4 K= 5 L= 2 R1= 0.976414990656D-02
I= 7 J= 5 K= 7 L= 4 R1= 0.403199677073D-01
I= 5 J= 5 K= 2 L= 1 R1= 0.197359913939D+00
I= 5 J= 2 K= 5 L= 1 R1= -0.265222245907D-01
I= 6 J= 1 K= 5 L= 5 R1= 0.528602257791D-01
I= 6 J= 5 K= 5 L= 1 R1= -0.566309492390D-02
I= 6 J= 6 K= 5 L= 5 R1= 0.435505585535D+00
I= 6 J= 5 K= 6 L= 5 R1= -0.300260837105D-01
I= 7 J= 2 K= 5 L= 5 R1= 0.308508018949D+00
I= 7 J= 5 K= 5 L= 2 R1= -0.299680637121D-01
I= 7 J= 7 K= 5 L= 5 R1= 0.435505585535D+00
I= 7 J= 5 K= 7 L= 5 R1= -0.300260837105D-01
I= 3 J= 3 K= 1 L= 1 R1= 0.108148522266D+01
I= 3 J= 1 K= 3 L= 1 R1= -0.125978416298D+00
I= 3 J= 3 K= 2 L= 2 R1= 0.701701409267D+00
I= 3 J= 2 K= 3 L= 2 R1= -0.351318943580D-01
I= 6 J= 2 K= 3 L= 3 R1= 0.309749598663D+00
I= 6 J= 3 K= 3 L= 2 R1= -0.375310245153D-01
I= 7 J= 1 K= 3 L= 3 R1= 0.534062972993D-01
I= 7 J= 3 K= 3 L= 1 R1= -0.657282820226D-02
I= 7 J= 6 K= 3 L= 3 R1= 0.177435203232D+00
I= 7 J= 3 K= 6 L= 3 R1= -0.281109989151D-01
I= 4 J= 4 K= 1 L= 1 R1= 0.108148522266D+01
I= 4 J= 1 K= 4 L= 1 R1= -0.125978416298D+00
I= 4 J= 4 K= 2 L= 2 R1= 0.701701409267D+00
I= 4 J= 2 K= 4 L= 2 R1= -0.351318943580D-01
I= 6 J= 2 K= 4 L= 4 R1= 0.307680125563D+00
I= 6 J= 4 K= 4 L= 2 R1= -0.249250325132D-01
I= 7 J= 1 K= 4 L= 4 R1= 0.524961017562D-01
I= 7 J= 4 K= 4 L= 1 R1= -0.505647888755D-02
I= 7 J= 6 K= 4 L= 4 R1= 0.195840603682D+00
I= 7 J= 4 K= 6 L= 4 R1= -0.517318469096D-01
I= 6 J= 2 K= 5 L= 4 R1= 0.160293974271D-02
I= 6 J= 5 K= 4 L= 2 R1= -0.976414990656D-02
I= 7 J= 1 K= 5 L= 4 R1= -0.705004867921D-03
I= 7 J= 5 K= 4 L= 1 R1= 0.117450986936D-02
I= 7 J= 5 K= 6 L= 4 R1= -0.422253826262D-01
I= 6 J= 4 K= 5 L= 2 R1= -0.976414990656D-02
I= 7 J= 4 K= 5 L= 1 R1= 0.117450986936D-02
I= 7 J= 4 K= 6 L= 5 R1= 0.422253826262D-01
I= 5 J= 5 K= 1 L= 1 R1= 0.108148522266D+01
I= 5 J= 1 K= 5 L= 1 R1= -0.125978416298D+00
I= 5 J= 5 K= 2 L= 2 R1= 0.701701409267D+00
I= 5 J= 2 K= 5 L= 2 R1= -0.351318943580D-01
I= 6 J= 2 K= 5 L= 5 R1= 0.308508018949D+00
I= 6 J= 5 K= 5 L= 2 R1= -0.299680637121D-01
I= 7 J= 1 K= 5 L= 5 R1= 0.528602257791D-01
I= 7 J= 5 K= 5 L= 1 R1= -0.566309492390D-02
I= 7 J= 6 K= 5 L= 5 R1= 0.165276246036D+00
I= 7 J= 5 K= 6 L= 5 R1= -0.991091964493D-03
I= 6 J= 4 K= 2 L= 1 R1= 0.410490535272D-01
I= 6 J= 2 K= 4 L= 1 R1= -0.641684207907D-02
I= 6 J= 1 K= 4 L= 2 R1= -0.102664579776D-01
I= 6 J= 4 K= 6 L= 1 R1= 0.721308072114D-02
I= 6 J= 6 K= 4 L= 1 R1= 0.166877634891D-02
I= 6 J= 6 K= 6 L= 4 R1= 0.115738465221D+00
I= 7 J= 4 K= 2 L= 1 R1= -0.410490535272D-01
I= 7 J= 2 K= 4 L= 1 R1= 0.641684207907D-02
I= 7 J= 1 K= 4 L= 2 R1= 0.102664579776D-01
I= 7 J= 4 K= 6 L= 1 R1= -0.138533524470D-01
I= 7 J= 1 K= 6 L= 4 R1= 0.138533524470D-01
I= 7 J= 4 K= 6 L= 6 R1= -0.112399586492D+00
I= 7 J= 6 K= 6 L= 4 R1= 0.647623419364D-01
I= 7 J= 4 K= 7 L= 2 R1= -0.675065401065D-01
I= 7 J= 7 K= 4 L= 2 R1= -0.258516207555D-01
I= 7 J= 7 K= 7 L= 4 R1= -0.115738465221D+00
I= 6 J= 5 K= 2 L= 1 R1= -0.317951266425D-01
I= 6 J= 2 K= 5 L= 1 R1= 0.497025604777D-02
I= 6 J= 1 K= 5 L= 2 R1= 0.795203064427D-02
I= 6 J= 5 K= 6 L= 1 R1= -0.558699398171D-02
I= 6 J= 6 K= 5 L= 1 R1= -0.129257439070D-02
I= 6 J= 6 K= 6 L= 5 R1= -0.896468698525D-01
I= 7 J= 5 K= 2 L= 1 R1= -0.317951266425D-01
I= 7 J= 2 K= 5 L= 1 R1= 0.497025604777D-02
I= 7 J= 1 K= 5 L= 2 R1= 0.795203064427D-02
I= 7 J= 5 K= 6 L= 1 R1= -0.624274338023D-02
I= 7 J= 6 K= 5 L= 1 R1= 0.174279090841D-02
I= 7 J= 1 K= 6 L= 5 R1= -0.624274338023D-02
I= 7 J= 5 K= 6 L= 6 R1= -0.948575267283D-01
I= 7 J= 6 K= 6 L= 5 R1= -0.141120008296D-01
I= 7 J= 5 K= 7 L= 2 R1= -0.522881481411D-01
I= 7 J= 7 K= 5 L= 2 R1= -0.200237395313D-01
I= 7 J= 7 K= 7 L= 5 R1= -0.896468698525D-01
I= 6 J= 4 K= 1 L= 1 R1= 0.210361765555D+00
I= 6 J= 1 K= 4 L= 1 R1= -0.519584996702D-01
I= 6 J= 4 K= 2 L= 2 R1= 0.169321061815D+00
I= 6 J= 2 K= 4 L= 2 R1= -0.198358482614D-01
I= 6 J= 4 K= 6 L= 2 R1= 0.675065401065D-01
I= 6 J= 6 K= 4 L= 2 R1= 0.258516207555D-01
I= 7 J= 4 K= 1 L= 1 R1= -0.210361765555D+00
I= 7 J= 1 K= 4 L= 1 R1= 0.519584996702D-01
I= 7 J= 4 K= 2 L= 2 R1= -0.169321061815D+00
I= 7 J= 2 K= 4 L= 2 R1= 0.198358482614D-01
I= 7 J= 4 K= 6 L= 2 R1= -0.875743923415D-01
I= 7 J= 2 K= 6 L= 4 R1= 0.875743923415D-01
I= 7 J= 4 K= 7 L= 1 R1= -0.721308072114D-02
I= 7 J= 7 K= 4 L= 1 R1= -0.166877634891D-02
I= 7 J= 6 K= 7 L= 4 R1= -0.647623419364D-01
I= 7 J= 7 K= 6 L= 4 R1= 0.112399586492D+00
I= 6 J= 5 K= 1 L= 1 R1= -0.162938689247D+00
I= 6 J= 1 K= 5 L= 1 R1= 0.402451928904D-01
I= 6 J= 5 K= 2 L= 2 R1= -0.131150030051D+00
I= 6 J= 2 K= 5 L= 2 R1= 0.153641376193D-01
I= 6 J= 5 K= 6 L= 2 R1= -0.522881481411D-01
I= 6 J= 6 K= 5 L= 2 R1= -0.200237395313D-01
I= 7 J= 5 K= 1 L= 1 R1= -0.162938689247D+00
I= 7 J= 1 K= 5 L= 1 R1= 0.402451928904D-01
I= 7 J= 5 K= 2 L= 2 R1= -0.131150030051D+00
I= 7 J= 2 K= 5 L= 2 R1= 0.153641376193D-01
I= 7 J= 5 K= 6 L= 2 R1= -0.511378295657D-01
I= 7 J= 6 K= 5 L= 2 R1= 0.104653318724D-01
I= 7 J= 2 K= 6 L= 5 R1= -0.511378295657D-01
I= 7 J= 5 K= 7 L= 1 R1= -0.558699398171D-02
I= 7 J= 7 K= 5 L= 1 R1= -0.129257439070D-02
I= 7 J= 6 K= 7 L= 5 R1= -0.141120008296D-01
I= 7 J= 7 K= 6 L= 5 R1= -0.948575267283D-01
I= 2 J= 2 K= 2 L= 1 R1= 0.110308031176D+00
I= 6 J= 2 K= 2 L= 1 R1= 0.505153703637D-01
I= 6 J= 1 K= 2 L= 2 R1= 0.164597757748D-01
I= 6 J= 6 K= 2 L= 1 R1= 0.912026280994D-01
I= 6 J= 2 K= 6 L= 1 R1= -0.770896188478D-02
I= 6 J= 6 K= 6 L= 1 R1= 0.143314463275D-01
I= 6 J= 6 K= 6 L= 6 R1= 0.156396297080D+00
I= 7 J= 2 K= 2 L= 1 R1= 0.505153703637D-01
I= 7 J= 1 K= 2 L= 2 R1= 0.164597757748D-01
I= 7 J= 6 K= 2 L= 1 R1= 0.325047003632D-01
I= 7 J= 1 K= 6 L= 2 R1= 0.670456220418D-02
I= 7 J= 2 K= 6 L= 1 R1= 0.670456220418D-02
I= 7 J= 6 K= 6 L= 1 R1= 0.214743401821D-02
I= 7 J= 1 K= 6 L= 6 R1= 0.218523267130D-01
I= 7 J= 6 K= 6 L= 6 R1= 0.883934815487D-01
I= 7 J= 7 K= 2 L= 1 R1= 0.912026280994D-01
I= 7 J= 2 K= 7 L= 1 R1= -0.770896188478D-02
I= 7 J= 7 K= 6 L= 1 R1= 0.218523267130D-01
I= 7 J= 6 K= 7 L= 1 R1= 0.214743401821D-02
I= 7 J= 7 K= 6 L= 6 R1= 0.298600001640D+00
I= 7 J= 6 K= 7 L= 6 R1= -0.157052751631D-01
I= 7 J= 7 K= 7 L= 2 R1= 0.146946825002D+00
I= 7 J= 7 K= 7 L= 7 R1= 0.156396297080D+00
I= 1 J= 1 K= 1 L= 1 R1= 0.120110561024D+01
I= 2 J= 1 K= 1 L= 1 R1= 0.309752940518D+00
I= 2 J= 2 K= 1 L= 1 R1= 0.106122894669D+01
I= 2 J= 1 K= 2 L= 1 R1= -0.101231456717D+00
I= 2 J= 2 K= 2 L= 2 R1= 0.203259783298D+00
I= 6 J= 1 K= 1 L= 1 R1= 0.921230856067D-01
I= 6 J= 2 K= 1 L= 1 R1= 0.423052681966D+00
I= 6 J= 1 K= 2 L= 1 R1= -0.879709158756D-01
I= 6 J= 2 K= 2 L= 2 R1= 0.177749662415D+00
I= 6 J= 6 K= 1 L= 1 R1= 0.506552619619D+00
I= 6 J= 1 K= 6 L= 1 R1= -0.607567203688D-01
I= 6 J= 6 K= 2 L= 2 R1= 0.389015052945D+00
I= 6 J= 2 K= 6 L= 2 R1= 0.790532497103D-02
I= 6 J= 6 K= 6 L= 2 R1= 0.146946825002D+00
I= 7 J= 1 K= 1 L= 1 R1= 0.921230856067D-01
I= 7 J= 2 K= 1 L= 1 R1= 0.423052681966D+00
I= 7 J= 1 K= 2 L= 1 R1= -0.879709158756D-01
I= 7 J= 2 K= 2 L= 2 R1= 0.177749662415D+00
I= 7 J= 6 K= 1 L= 1 R1= 0.216387670052D+00
I= 7 J= 1 K= 6 L= 1 R1= -0.490183051886D-01
I= 7 J= 6 K= 2 L= 2 R1= 0.118385119369D+00
I= 7 J= 2 K= 6 L= 2 R1= 0.693578625660D-01
I= 7 J= 6 K= 6 L= 2 R1= 0.214325610172D-01
I= 7 J= 2 K= 6 L= 6 R1= 0.170946677812D+00
I= 7 J= 7 K= 1 L= 1 R1= 0.506552619619D+00
I= 7 J= 1 K= 7 L= 1 R1= -0.607567203688D-01
I= 7 J= 7 K= 2 L= 2 R1= 0.389015052945D+00
I= 7 J= 2 K= 7 L= 2 R1= 0.790532497103D-02
I= 7 J= 7 K= 6 L= 2 R1= 0.170946677812D+00
I= 7 J= 6 K= 7 L= 2 R1= 0.214325610172D-01
I= 7 J= 7 K= 7 L= 1 R1= 0.143314463275D-01
I= 7 J= 7 K= 7 L= 6 R1= 0.883934815487D-01
Leave Link 316 at Wed Aug 8 02:50:23 2018, MaxMem= 33554432 cpu: 0.0
(Enter /ghome/chihiro/gaussian/g09-d.01/l401.exe)
Core hamiltonian diagonalized for initial guess.
JPrj=0 DoOrth=F DoCkMO=F.
Leave Link 401 at Wed Aug 8 02:50:23 2018, MaxMem= 33554432 cpu: 0.1
(Enter /ghome/chihiro/gaussian/g09-d.01/l502.exe)
Closed shell SCF:
Using DIIS extrapolation, IDIIS= 1040.
Unsorted integral processing.
Two-electron integral symmetry not used.
Two-electron integrals will be kept in memory, NGetB= 151203.
IVT= 265172 IEndB= 151203 NGot= 33554432 MDV= 33534301
LenX= 33272157 LenY= 33550522
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.
Cycle 1 Pass 1 IDiag 1:
E= -73.9348694203300
DIIS: error= 2.31D-01 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -73.9348694203300 IErMin= 1 ErrMin= 2.31D-01
ErrMax= 2.31D-01 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.52D-01 BMatP= 4.52D-01
IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00
Coeff-Com: 0.100D+01
Coeff-En: 0.100D+01
Coeff: 0.100D+01
Gap= 0.090 Goal= None Shift= 0.000
GapD= 0.090 DampG=0.500 DampE=0.250 DampFc=0.2500 IDamp=-1.
Damping current iteration by 2.50D-01
RMSDP=2.96D-01 MaxDP=9.65D-01 OVMax= 0.00D+00
Cycle 2 Pass 1 IDiag 1:
E= -74.2868702559176 Delta-E= -0.352000835588 Rises=F Damp=T
DIIS: error= 1.82D-01 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -74.2868702559176 IErMin= 2 ErrMin= 1.82D-01
ErrMax= 1.82D-01 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-01 BMatP= 4.52D-01
IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00
Coeff-Com: -0.385D+01 0.485D+01
Coeff-En: 0.000D+00 0.100D+01
Coeff: 0.000D+00 0.100D+01
Gap= 0.524 Goal= None Shift= 0.000
RMSDP=2.18D-01 MaxDP=6.99D-01 DE=-3.52D-01 OVMax= 0.00D+00
Cycle 3 Pass 1 IDiag 1:
E= -75.4477052005695 Delta-E= -1.160834944652 Rises=F Damp=F
DIIS: error= 2.27D-02 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -75.4477052005695 IErMin= 3 ErrMin= 2.27D-02
ErrMax= 2.27D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-03 BMatP= 2.86D-01
IDIUse=3 WtCom= 7.73D-01 WtEn= 2.27D-01
Coeff-Com: -0.119D+01 0.156D+01 0.629D+00
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.922D+00 0.121D+01 0.714D+00
Gap= 0.920 Goal= None Shift= 0.000
RMSDP=1.84D-02 MaxDP=5.24D-02 DE=-1.16D+00 OVMax= 0.00D+00
Cycle 4 Pass 1 IDiag 1:
E= -75.4546421010553 Delta-E= -0.006936900486 Rises=F Damp=F
DIIS: error= 5.00D-03 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -75.4546421010553 IErMin= 4 ErrMin= 5.00D-03
ErrMax= 5.00D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-04 BMatP= 4.49D-03
IDIUse=3 WtCom= 9.50D-01 WtEn= 5.00D-02
Coeff-Com: -0.287D+00 0.324D+00-0.116D+00 0.108D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.272D+00 0.308D+00-0.110D+00 0.107D+01
Gap= 0.897 Goal= None Shift= 0.000
RMSDP=4.30D-03 MaxDP=1.85D-02 DE=-6.94D-03 OVMax= 0.00D+00
Cycle 5 Pass 1 IDiag 1:
E= -75.4550860713347 Delta-E= -0.000443970279 Rises=F Damp=F
DIIS: error= 1.88D-03 at cycle 5 NSaved= 5.
NSaved= 5 IEnMin= 5 EnMin= -75.4550860713347 IErMin= 5 ErrMin= 1.88D-03
ErrMax= 1.88D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-05 BMatP= 2.60D-04
IDIUse=3 WtCom= 9.81D-01 WtEn= 1.88D-02
Coeff-Com: -0.285D-01 0.468D-01 0.473D-01-0.631D+00 0.157D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.280D-01 0.460D-01 0.464D-01-0.620D+00 0.156D+01
Gap= 0.879 Goal= None Shift= 0.000
RMSDP=2.19D-03 MaxDP=7.65D-03 DE=-4.44D-04 OVMax= 0.00D+00
Cycle 6 Pass 1 IDiag 1:
E= -75.4551512621702 Delta-E= -0.000065190835 Rises=F Damp=F
DIIS: error= 3.42D-04 at cycle 6 NSaved= 6.
NSaved= 6 IEnMin= 6 EnMin= -75.4551512621702 IErMin= 6 ErrMin= 3.42D-04
ErrMax= 3.42D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 9.49D-07 BMatP= 2.49D-05
IDIUse=3 WtCom= 9.97D-01 WtEn= 3.42D-03
Coeff-Com: 0.390D-01-0.522D-01-0.174D-01 0.163D+00-0.645D+00 0.151D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.389D-01-0.520D-01-0.173D-01 0.162D+00-0.643D+00 0.151D+01
Gap= 0.878 Goal= None Shift= 0.000
RMSDP=7.21D-04 MaxDP=2.18D-03 DE=-6.52D-05 OVMax= 0.00D+00
Cycle 7 Pass 1 IDiag 1:
E= -75.4551541441599 Delta-E= -0.000002881990 Rises=F Damp=F
DIIS: error= 1.61D-04 at cycle 7 NSaved= 7.
NSaved= 7 IEnMin= 7 EnMin= -75.4551541441599 IErMin= 7 ErrMin= 1.61D-04
ErrMax= 1.61D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-07 BMatP= 9.49D-07
IDIUse=3 WtCom= 9.98D-01 WtEn= 1.61D-03
Coeff-Com: -0.282D-02 0.383D-02 0.326D-03 0.213D-01 0.432D-01-0.180D+00
Coeff-Com: 0.111D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00
Coeff-En: 0.100D+01
Coeff: -0.282D-02 0.382D-02 0.325D-03 0.213D-01 0.431D-01-0.180D+00
Coeff: 0.111D+01
Gap= 0.879 Goal= None Shift= 0.000
RMSDP=1.68D-04 MaxDP=7.10D-04 DE=-2.88D-06 OVMax= 0.00D+00
Cycle 8 Pass 1 IDiag 1:
E= -75.4551544821391 Delta-E= -0.000000337979 Rises=F Damp=F
DIIS: error= 1.25D-05 at cycle 8 NSaved= 8.
NSaved= 8 IEnMin= 8 EnMin= -75.4551544821391 IErMin= 8 ErrMin= 1.25D-05
ErrMax= 1.25D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-09 BMatP= 2.23D-07
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.385D-04 0.522D-04 0.190D-04 0.228D-03 0.137D-02-0.542D-02
Coeff-Com: 0.867D-01 0.917D+00
Coeff: -0.385D-04 0.522D-04 0.190D-04 0.228D-03 0.137D-02-0.542D-02
Coeff: 0.867D-01 0.917D+00
Gap= 0.879 Goal= None Shift= 0.000
RMSDP=1.18D-05 MaxDP=4.90D-05 DE=-3.38D-07 OVMax= 0.00D+00
Cycle 9 Pass 1 IDiag 1:
E= -75.4551544841915 Delta-E= -0.000000002052 Rises=F Damp=F
DIIS: error= 1.74D-07 at cycle 9 NSaved= 9.
NSaved= 9 IEnMin= 9 EnMin= -75.4551544841915 IErMin= 9 ErrMin= 1.74D-07
ErrMax= 1.74D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-13 BMatP= 1.35D-09
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Large coefficients: NSaved= 9 BigCof= 0.00 CofMax= 10.00 Det= 4.94D-25
Inversion failed. Reducing to 8 matrices.
Coeff-Com: 0.898D-09-0.907D-07 0.196D-05-0.134D-04 0.504D-04-0.130D-02
Coeff-Com: -0.314D-01 0.103D+01
Coeff: 0.898D-09-0.907D-07 0.196D-05-0.134D-04 0.504D-04-0.130D-02
Coeff: -0.314D-01 0.103D+01
Gap= 0.879 Goal= None Shift= 0.000
RMSDP=1.62D-07 MaxDP=6.73D-07 DE=-2.05D-09 OVMax= 0.00D+00
Cycle 10 Pass 1 IDiag 1:
E= -75.4551544841918 Delta-E= 0.000000000000 Rises=F Damp=F
DIIS: error= 3.88D-11 at cycle 10 NSaved= 9.
NSaved= 9 IEnMin= 9 EnMin= -75.4551544841918 IErMin= 9 ErrMin= 3.88D-11
ErrMax= 3.88D-11 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-20 BMatP= 2.64D-13
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Large coefficients: NSaved= 9 BigCof= 0.00 CofMax= 10.00 Det= 5.74D-28
Inversion failed. Reducing to 8 matrices.
Coeff-Com: 0.215D-10 0.140D-09 0.236D-08-0.128D-07 0.176D-06-0.917D-04
Coeff-Com: 0.685D-02 0.993D+00
Coeff: 0.215D-10 0.140D-09 0.236D-08-0.128D-07 0.176D-06-0.917D-04
Coeff: 0.685D-02 0.993D+00
Gap= 0.879 Goal= None Shift= 0.000
RMSDP=3.37D-11 MaxDP=1.03D-10 DE=-3.41D-13 OVMax= 0.00D+00
SCF Done: E(RHF) = -75.4551544842 A.U. after 10 cycles
NFock= 10 Conv=0.34D-10 -V/T= 1.9993
KE= 7.550509591429D+01 PE=-1.979017275965D+02 EE= 3.775194347555D+01
Leave Link 502 at Wed Aug 8 02:50:23 2018, MaxMem= 33554432 cpu: 0.2
(Enter /ghome/chihiro/gaussian/g09-d.01/l601.exe)
Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.
**********************************************************************
Population analysis using the SCF density.
**********************************************************************
Alpha occ. eigenvalues -- -20.36905 -1.34424 -0.68059 -0.54882 -0.50366
Alpha virt. eigenvalues -- 0.37537 0.52390
Molecular Orbital Coefficients:
1 2 3 4 5
O O O O O
Eigenvalues -- -20.36905 -1.34424 -0.68059 -0.54882 -0.50366
1 1 O 1S 0.99048 -0.22013 0.00000 -0.08492 0.00000
2 2S 0.05004 0.85786 0.00000 0.47880 0.00000
3 3PX 0.00000 0.00000 0.00000 0.00000 1.00000
4 3PY 0.00000 0.00000 0.64601 0.00000 0.00000
5 3PZ -0.00782 -0.15907 0.00000 0.83275 0.00000
6 2 H 1S -0.01266 0.11946 0.42962 -0.21147 0.00000
7 3 H 1S -0.01266 0.11946 -0.42962 -0.21147 0.00000
6 7
V V
Eigenvalues -- 0.37537 0.52390
1 1 O 1S -0.12045 0.00000
2 2S 0.94826 0.00000
3 3PX 0.00000 0.00000
4 3PY 0.00000 1.02399
5 3PZ -0.67325 0.00000
6 2 H 1S -0.81190 -0.99101
7 3 H 1S -0.81190 0.99101
Condensed to atoms (all electrons):
1 2 3
1 O 8.134990 0.269156 0.269156
2 H 0.269156 0.487444 -0.093250
3 H 0.269156 -0.093250 0.487444
Mulliken charges:
1
1 O -0.673301
2 H 0.336651
3 H 0.336651
Sum of Mulliken charges = 0.00000
Mulliken charges with hydrogens summed into heavy atoms:
1
1 O 0.000000
Electronic spatial extent (au): <R**2>= 19.8661
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.0000 Y= 0.0000 Z= -2.1872 Tot= 2.1872
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -7.2780 YY= -5.0345 ZZ= -6.2567
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= -1.0882 YY= 1.1552 ZZ= -0.0670
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= 0.0000 YYY= 0.0000 ZZZ= -0.2895 XYY= 0.0000
XXY= 0.0000 XXZ= 0.0259 XZZ= 0.0000 YZZ= 0.0000
YYZ= -0.7939 XYZ= 0.0000
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -4.9541 YYYY= -8.9900 ZZZZ= -6.6519 XXXY= 0.0000
XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -2.5312 XXZZ= -1.9816 YYZZ= -2.3170
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000
N-N= 9.189533722473D+00 E-N=-1.979017275973D+02 KE= 7.550509591429D+01
Orbital energies and kinetic energies (alpha):
1 2
1 O -20.369055 28.904285
2 O -1.344237 2.561195
3 O -0.680592 1.446148
4 O -0.548824 2.332247
5 O -0.503664 2.508673
6 V 0.375367 2.497066
7 V 0.523898 2.697777
Total kinetic energy from orbitals= 7.550509591429D+01
No NMR shielding tensors so no spin-rotation constants.
Leave Link 601 at Wed Aug 8 02:50:24 2018, MaxMem= 33554432 cpu: 0.2
(Enter /ghome/chihiro/gaussian/g09-d.01/l9999.exe)
Test job not archived.
1\1\GINC-SRI\SP\RHF\Gen\H2O1\chihiro\08-Aug-2018\0\\#P RHF/Gen Guess=C
ore 6D 10F SCF(Conventional) # Gfinput IOp(6/7=3,3/33=6) # ExtraLinks=
L316 Symmetry=None # Units(Ang,Deg)\\water w/ all electrons\\0,1\O,0,0
.,0.,0.1173\H,0,0.,0.7572,-0.4692\H,0,0.,-0.7572,-0.4692\\Version=EM64
L-G09RevD.01\HF=-75.4551545\RMSD=3.371e-11\Dipole=0.,0.,-0.8605157\Qua
drupole=-0.8090591,0.8588616,-0.0498025,0.,0.,0.\PG=Unknown\\@
THE ONE-EYED VIEW OF OUR UNIVERSE SAYS YOU MUST NOT LOOK
FAR AFIELD FOR PROBLEMS. SUCH PROBLEMS MAY NEVER ARRIVE.
INSTEAD, TEND TO THE WOLF WITHIN YOUR FENCES.
THE PACKS RANGING OUTSIDE MAY NOT EVEN EXIST.
-- THE AZHAR BOOK SHAMRA I:4
CHILDREN OF DUNE, BY FRANK HERBERT
Job cpu time: 0 days 0 hours 0 minutes 1.4 seconds.
File lengths (MBytes): RWF= 5 Int= 1 D2E= 0 Chk= 1 Scr= 1
Normal termination of Gaussian 09 at Wed Aug 8 02:50:24 2018.