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): = 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.