Entering Link 1 = D:\G09W\l1.exe PID= 1284. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009, 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 A.02, 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, 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, 2009. ****************************************** Gaussian 09: IA32W-G09RevA.02 11-Jun-2009 12-Sep-2015 ****************************************** %Mem=1536MB %Chk=Ni.chk %NProc=2 Will use up to 2 processors via shared memory. -------------------------------------- #p HF/Gen Int(DKH,ExactBasisTransform) -------------------------------------- 1/38=1/1; 2/12=2,17=6,18=5,40=1/2; 3/5=7,11=9,16=1,25=1,30=1,60=1,91=4/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/1; 99/5=1,9=1/99; Leave Link 1 at Sat Sep 12 05:37:30 2015, MaxMem= 201326592 cpu: 0.0 (Enter D:\G09W\l101.exe) -- Ni -- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 Ni NAtoms= 1 NQM= 1 NQMF= 0 NMic= 0 NMicF= 0 NTot= 1. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 IAtWgt= 58 AtmWgt= 57.9353471 NucSpn= 0 AtZEff= 0.0000000 NQMom= 0.0000000 NMagM= 0.0000000 Leave Link 101 at Sat Sep 12 05:37:30 2015, MaxMem= 201326592 cpu: 0.0 (Enter D:\G09W\l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 0.000000 0.000000 0.000000 --------------------------------------------------------------------- Stoichiometry Ni Framework group OH[O(Ni)] Deg. of freedom 0 Full point group OH NOp 48 Largest Abelian subgroup D2H NOp 8 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 28 0 0.000000 0.000000 0.000000 --------------------------------------------------------------------- Leave Link 202 at Sat Sep 12 05:37:30 2015, MaxMem= 201326592 cpu: 0.0 (Enter D:\G09W\l301.exe) General basis read from cards: (5D, 7F) Centers: 1 S 21 1.00 Exponent= 5.0480100000D+06 Coefficients= 1.6488000000D-04 Exponent= 7.5591810000D+05 Coefficients= 4.7472000000D-04 Exponent= 1.7202620000D+05 Coefficients= 1.2964100000D-03 Exponent= 4.8724570000D+04 Coefficients= 3.3162500000D-03 Exponent= 1.5894890000D+04 Coefficients= 8.4845100000D-03 Exponent= 5.7374680000D+03 Coefficients= 2.1813640000D-02 Exponent= 2.2370510000D+03 Coefficients= 5.5141270000D-02 Exponent= 9.2703020000D+02 Coefficients= 1.2848602000D-01 Exponent= 4.0334610000D+02 Coefficients= 2.5135433000D-01 Exponent= 1.8242820000D+02 Coefficients= 3.5399332000D-01 Exponent= 8.4589170000D+01 Coefficients= 2.7087220000D-01 Exponent= 3.8422930000D+01 Coefficients= 6.5402770000D-02 Exponent= 1.8468790000D+01 Coefficients= -1.1216700000D-03 Exponent= 8.8681900000D+00 Coefficients= 1.8135500000D-03 Exponent= 3.9188700000D+00 Coefficients= -8.3699000000D-04 Exponent= 1.8398530000D+00 Coefficients= 3.5981000000D-04 Exponent= 8.0466300000D-01 Coefficients= -1.3945000000D-04 Exponent= 1.6984600000D-01 Coefficients= 5.5060000000D-05 Exponent= 7.9370000000D-02 Coefficients= -5.0890000000D-05 Exponent= 3.4700000000D-02 Coefficients= 2.4960000000D-05 Exponent= 1.3880000000D-02 Coefficients= -6.6800000000D-06 S 21 1.00 Exponent= 5.0480100000D+06 Coefficients= -5.1410000000D-05 Exponent= 7.5591810000D+05 Coefficients= -1.4817000000D-04 Exponent= 1.7202620000D+05 Coefficients= -4.0539000000D-04 Exponent= 4.8724570000D+04 Coefficients= -1.0405100000D-03 Exponent= 1.5894890000D+04 Coefficients= -2.6786800000D-03 Exponent= 5.7374680000D+03 Coefficients= -6.9698400000D-03 Exponent= 2.2370510000D+03 Coefficients= -1.8060530000D-02 Exponent= 9.2703020000D+02 Coefficients= -4.4357010000D-02 Exponent= 4.0334610000D+02 Coefficients= -9.7025140000D-02 Exponent= 1.8242820000D+02 Coefficients= -1.7158759000D-01 Exponent= 8.4589170000D+01 Coefficients= -1.8607088000D-01 Exponent= 3.8422930000D+01 Coefficients= 6.0521390000D-02 Exponent= 1.8468790000D+01 Coefficients= 5.2621873000D-01 Exponent= 8.8681900000D+00 Coefficients= 4.8916304000D-01 Exponent= 3.9188700000D+00 Coefficients= 8.4519490000D-02 Exponent= 1.8398530000D+00 Coefficients= -1.9212900000D-03 Exponent= 8.0466300000D-01 Coefficients= 1.9663200000D-03 Exponent= 1.6984600000D-01 Coefficients= -3.9929000000D-04 Exponent= 7.9370000000D-02 Coefficients= 4.0796000000D-04 Exponent= 3.4700000000D-02 Coefficients= -1.8314000000D-04 Exponent= 1.3880000000D-02 Coefficients= 5.3620000000D-05 S 21 1.00 Exponent= 5.0480100000D+06 Coefficients= 1.9250000000D-05 Exponent= 7.5591810000D+05 Coefficients= 5.5500000000D-05 Exponent= 1.7202620000D+05 Coefficients= 1.5184000000D-04 Exponent= 4.8724570000D+04 Coefficients= 3.9007000000D-04 Exponent= 1.5894890000D+04 Coefficients= 1.0040800000D-03 Exponent= 5.7374680000D+03 Coefficients= 2.6198700000D-03 Exponent= 2.2370510000D+03 Coefficients= 6.7964600000D-03 Exponent= 9.2703020000D+02 Coefficients= 1.6842530000D-02 Exponent= 4.0334610000D+02 Coefficients= 3.7235180000D-02 Exponent= 1.8242820000D+02 Coefficients= 6.8187370000D-02 Exponent= 8.4589170000D+01 Coefficients= 7.7249490000D-02 Exponent= 3.8422930000D+01 Coefficients= -2.7666330000D-02 Exponent= 1.8468790000D+01 Coefficients= -3.2341949000D-01 Exponent= 8.8681900000D+00 Coefficients= -4.4915778000D-01 Exponent= 3.9188700000D+00 Coefficients= 1.6981037000D-01 Exponent= 1.8398530000D+00 Coefficients= 7.2425123000D-01 Exponent= 8.0466300000D-01 Coefficients= 3.7297298000D-01 Exponent= 1.6984600000D-01 Coefficients= 1.8398000000D-02 Exponent= 7.9370000000D-02 Coefficients= -7.0503000000D-03 Exponent= 3.4700000000D-02 Coefficients= 4.9856400000D-03 Exponent= 1.3880000000D-02 Coefficients= -8.7915000000D-04 S 21 1.00 Exponent= 5.0480100000D+06 Coefficients= -3.9300000000D-06 Exponent= 7.5591810000D+05 Coefficients= -1.1330000000D-05 Exponent= 1.7202620000D+05 Coefficients= -3.1020000000D-05 Exponent= 4.8724570000D+04 Coefficients= -7.9650000000D-05 Exponent= 1.5894890000D+04 Coefficients= -2.0517000000D-04 Exponent= 5.7374680000D+03 Coefficients= -5.3505000000D-04 Exponent= 2.2370510000D+03 Coefficients= -1.3896800000D-03 Exponent= 9.2703020000D+02 Coefficients= -3.4435100000D-03 Exponent= 4.0334610000D+02 Coefficients= -7.6334500000D-03 Exponent= 1.8242820000D+02 Coefficients= -1.4015780000D-02 Exponent= 8.4589170000D+01 Coefficients= -1.6011660000D-02 Exponent= 3.8422930000D+01 Coefficients= 5.8357900000D-03 Exponent= 1.8468790000D+01 Coefficients= 7.0361020000D-02 Exponent= 8.8681900000D+00 Coefficients= 1.0302270000D-01 Exponent= 3.9188700000D+00 Coefficients= -4.8770760000D-02 Exponent= 1.8398530000D+00 Coefficients= -2.1527448000D-01 Exponent= 8.0466300000D-01 Coefficients= -2.2048889000D-01 Exponent= 1.6984600000D-01 Coefficients= 3.1119212000D-01 Exponent= 7.9370000000D-02 Coefficients= 4.8066146000D-01 Exponent= 3.4700000000D-02 Coefficients= 3.4997150000D-01 Exponent= 1.3880000000D-02 Coefficients= 1.5651640000D-02 S 21 1.00 Exponent= 5.0480100000D+06 Coefficients= 4.8200000000D-06 Exponent= 7.5591810000D+05 Coefficients= 1.3920000000D-05 Exponent= 1.7202620000D+05 Coefficients= 3.8000000000D-05 Exponent= 4.8724570000D+04 Coefficients= 9.8050000000D-05 Exponent= 1.5894890000D+04 Coefficients= 2.5049000000D-04 Exponent= 5.7374680000D+03 Coefficients= 6.6182000000D-04 Exponent= 2.2370510000D+03 Coefficients= 1.6882100000D-03 Exponent= 9.2703020000D+02 Coefficients= 4.2873900000D-03 Exponent= 4.0334610000D+02 Coefficients= 9.2132700000D-03 Exponent= 1.8242820000D+02 Coefficients= 1.7742500000D-02 Exponent= 8.4589170000D+01 Coefficients= 1.8637550000D-02 Exponent= 3.8422930000D+01 Coefficients= -4.7215000000D-03 Exponent= 1.8468790000D+01 Coefficients= -9.4822620000D-02 Exponent= 8.8681900000D+00 Coefficients= -1.2912997000D-01 Exponent= 3.9188700000D+00 Coefficients= 8.8427140000D-02 Exponent= 1.8398530000D+00 Coefficients= 3.5589075000D-01 Exponent= 8.0466300000D-01 Coefficients= 4.3643860000D-02 Exponent= 1.6984600000D-01 Coefficients= -7.7382930000D-01 Exponent= 7.9370000000D-02 Coefficients= -4.8540314000D-01 Exponent= 3.4700000000D-02 Coefficients= 6.8861898000D-01 Exponent= 1.3880000000D-02 Coefficients= 6.3315028000D-01 S 21 1.00 Exponent= 5.0480100000D+06 Coefficients= -1.6260000000D-05 Exponent= 7.5591810000D+05 Coefficients= -4.6900000000D-05 Exponent= 1.7202620000D+05 Coefficients= -1.2808000000D-04 Exponent= 4.8724570000D+04 Coefficients= -3.3041000000D-04 Exponent= 1.5894890000D+04 Coefficients= -8.4484000000D-04 Exponent= 5.7374680000D+03 Coefficients= -2.2291600000D-03 Exponent= 2.2370510000D+03 Coefficients= -5.7066200000D-03 Exponent= 9.2703020000D+02 Coefficients= -1.4447380000D-02 Exponent= 4.0334610000D+02 Coefficients= -3.1333760000D-02 Exponent= 1.8242820000D+02 Coefficients= -6.0180100000D-02 Exponent= 8.4589170000D+01 Coefficients= -6.4927690000D-02 Exponent= 3.8422930000D+01 Coefficients= 2.4989170000D-02 Exponent= 1.8468790000D+01 Coefficients= 3.2729210000D-01 Exponent= 8.8681900000D+00 Coefficients= 5.8830874000D-01 Exponent= 3.9188700000D+00 Coefficients= -1.0038987000D+00 Exponent= 1.8398530000D+00 Coefficients= -9.5529958000D-01 Exponent= 8.0466300000D-01 Coefficients= 1.4425024100D+00 Exponent= 1.6984600000D-01 Coefficients= 4.8149176000D-01 Exponent= 7.9370000000D-02 Coefficients= -5.9428428000D-01 Exponent= 3.4700000000D-02 Coefficients= -1.0048016500D+00 Exponent= 1.3880000000D-02 Coefficients= 1.1781644900D+00 S 21 1.00 Exponent= 5.0480100000D+06 Coefficients= 1.4250000000D-05 Exponent= 7.5591810000D+05 Coefficients= 4.1060000000D-05 Exponent= 1.7202620000D+05 Coefficients= 1.1245000000D-04 Exponent= 4.8724570000D+04 Coefficients= 2.8820000000D-04 Exponent= 1.5894890000D+04 Coefficients= 7.4628000000D-04 Exponent= 5.7374680000D+03 Coefficients= 1.9300600000D-03 Exponent= 2.2370510000D+03 Coefficients= 5.0899300000D-03 Exponent= 9.2703020000D+02 Coefficients= 1.2404390000D-02 Exponent= 4.0334610000D+02 Coefficients= 2.8405080000D-02 Exponent= 1.8242820000D+02 Coefficients= 5.0968440000D-02 Exponent= 8.4589170000D+01 Coefficients= 6.3356350000D-02 Exponent= 3.8422930000D+01 Coefficients= -4.2027980000D-02 Exponent= 1.8468790000D+01 Coefficients= -2.6488724000D-01 Exponent= 8.8681900000D+00 Coefficients= -6.5507658000D-01 Exponent= 3.9188700000D+00 Coefficients= 1.5228483900D+00 Exponent= 1.8398530000D+00 Coefficients= 2.7117590000D-02 Exponent= 8.0466300000D-01 Coefficients= -1.3438427200D+00 Exponent= 1.6984600000D-01 Coefficients= 6.6897841000D-01 Exponent= 7.9370000000D-02 Coefficients= 1.6628228800D+00 Exponent= 3.4700000000D-02 Coefficients= -3.4759960500D+00 Exponent= 1.3880000000D-02 Coefficients= 2.0122761500D+00 S 21 1.00 Exponent= 5.0480100000D+06 Coefficients= -2.1570000000D-05 Exponent= 7.5591810000D+05 Coefficients= -6.2440000000D-05 Exponent= 1.7202620000D+05 Coefficients= -1.6917000000D-04 Exponent= 4.8724570000D+04 Coefficients= -4.4374000000D-04 Exponent= 1.5894890000D+04 Coefficients= -1.1029200000D-03 Exponent= 5.7374680000D+03 Coefficients= -3.0420800000D-03 Exponent= 2.2370510000D+03 Coefficients= -7.3513100000D-03 Exponent= 9.2703020000D+02 Coefficients= -2.0182660000D-02 Exponent= 4.0334610000D+02 Coefficients= -3.9949530000D-02 Exponent= 1.8242820000D+02 Coefficients= -9.0038320000D-02 Exponent= 8.4589170000D+01 Coefficients= -7.4545980000D-02 Exponent= 3.8422930000D+01 Coefficients= 3.1749870000D-02 Exponent= 1.8468790000D+01 Coefficients= 6.4329298000D-01 Exponent= 8.8681900000D+00 Coefficients= 7.7454989000D-01 Exponent= 3.9188700000D+00 Coefficients= -3.9786102900D+00 Exponent= 1.8398530000D+00 Coefficients= 4.1336244900D+00 Exponent= 8.0466300000D-01 Coefficients= -1.1080809900D+00 Exponent= 1.6984600000D-01 Coefficients= -2.8822483200D+00 Exponent= 7.9370000000D-02 Coefficients= 5.3654438800D+00 Exponent= 3.4700000000D-02 Coefficients= -4.1121276100D+00 Exponent= 1.3880000000D-02 Coefficients= 1.3970391200D+00 S 21 1.00 Exponent= 5.0480100000D+06 Coefficients= 2.7650000000D-05 Exponent= 7.5591810000D+05 Coefficients= 8.2030000000D-05 Exponent= 1.7202620000D+05 Coefficients= 2.0801000000D-04 Exponent= 4.8724570000D+04 Coefficients= 6.2569000000D-04 Exponent= 1.5894890000D+04 Coefficients= 1.1864300000D-03 Exponent= 5.7374680000D+03 Coefficients= 4.8580800000D-03 Exponent= 2.2370510000D+03 Coefficients= 6.2441800000D-03 Exponent= 9.2703020000D+02 Coefficients= 3.6876420000D-02 Exponent= 4.0334610000D+02 Coefficients= 2.0900040000D-02 Exponent= 1.8242820000D+02 Coefficients= 2.0748623000D-01 Exponent= 8.4589170000D+01 Coefficients= -1.1554040000D-01 Exponent= 3.8422930000D+01 Coefficients= 4.6350414000D-01 Exponent= 1.8468790000D+01 Coefficients= -2.4297564900D+00 Exponent= 8.8681900000D+00 Coefficients= 2.3577571100D+00 Exponent= 3.9188700000D+00 Coefficients= 1.5104820000D+00 Exponent= 1.8398530000D+00 Coefficients= -4.8657818600D+00 Exponent= 8.0466300000D-01 Coefficients= 4.3413315800D+00 Exponent= 1.6984600000D-01 Coefficients= -5.0395311800D+00 Exponent= 7.9370000000D-02 Coefficients= 6.3398988900D+00 Exponent= 3.4700000000D-02 Coefficients= -3.8803593900D+00 Exponent= 1.3880000000D-02 Coefficients= 1.1422413500D+00 S 21 1.00 Exponent= 5.0480100000D+06 Coefficients= -4.4690000000D-05 Exponent= 7.5591810000D+05 Coefficients= -1.3172000000D-04 Exponent= 1.7202620000D+05 Coefficients= -3.3973000000D-04 Exponent= 4.8724570000D+04 Coefficients= -9.9304000000D-04 Exponent= 1.5894890000D+04 Coefficients= -1.9870100000D-03 Exponent= 5.7374680000D+03 Coefficients= -7.6356700000D-03 Exponent= 2.2370510000D+03 Coefficients= -1.0945540000D-02 Exponent= 9.2703020000D+02 Coefficients= -5.8240670000D-02 Exponent= 4.0334610000D+02 Coefficients= -4.2375610000D-02 Exponent= 1.8242820000D+02 Coefficients= -3.4097086000D-01 Exponent= 8.4589170000D+01 Coefficients= 1.8007485000D-01 Exponent= 3.8422930000D+01 Coefficients= -6.0055100000D-01 Exponent= 1.8468790000D+01 Coefficients= 5.2521677100D+00 Exponent= 8.8681900000D+00 Coefficients= -1.0419962010D+01 Exponent= 3.9188700000D+00 Coefficients= 1.1969912320D+01 Exponent= 1.8398530000D+00 Coefficients= -9.4450628400D+00 Exponent= 8.0466300000D-01 Coefficients= 4.5037505900D+00 Exponent= 1.6984600000D-01 Coefficients= -2.8216341100D+00 Exponent= 7.9370000000D-02 Coefficients= 3.0049381500D+00 Exponent= 3.4700000000D-02 Coefficients= -1.6500535000D+00 Exponent= 1.3880000000D-02 Coefficients= 4.5798703000D-01 P 15 1.00 Exponent= 9.1487960000D+03 Coefficients= 3.7691000000D-04 Exponent= 2.1671710000D+03 Coefficients= 2.0139200000D-03 Exponent= 7.0338570000D+02 Coefficients= 9.6691600000D-03 Exponent= 2.6813420000D+02 Coefficients= 3.7218140000D-02 Exponent= 1.1300780000D+02 Coefficients= 1.1327180000D-01 Exponent= 5.0913390000D+01 Coefficients= 2.5392972000D-01 Exponent= 2.3877400000D+01 Coefficients= 3.8177715000D-01 Exponent= 1.1489240000D+01 Coefficients= 3.0545074000D-01 Exponent= 5.4368840000D+00 Coefficients= 8.5593990000D-02 Exponent= 2.5338370000D+00 Coefficients= 3.7514600000D-03 Exponent= 1.1353090000D+00 Coefficients= 1.4793400000D-03 Exponent= 4.6789100000D-01 Coefficients= -2.4434000000D-04 Exponent= 1.8715600000D-01 Coefficients= 2.1005000000D-04 Exponent= 7.4862000000D-02 Coefficients= -9.0020000000D-05 Exponent= 2.9945000000D-02 Coefficients= 2.7760000000D-05 P 15 1.00 Exponent= 9.1487960000D+03 Coefficients= -1.3919000000D-04 Exponent= 2.1671710000D+03 Coefficients= -7.4461000000D-04 Exponent= 7.0338570000D+02 Coefficients= -3.6045800000D-03 Exponent= 2.6813420000D+02 Coefficients= -1.4037180000D-02 Exponent= 1.1300780000D+02 Coefficients= -4.4120570000D-02 Exponent= 5.0913390000D+01 Coefficients= -1.0291476000D-01 Exponent= 2.3877400000D+01 Coefficients= -1.6533609000D-01 Exponent= 1.1489240000D+01 Coefficients= -1.1056409000D-01 Exponent= 5.4368840000D+00 Coefficients= 1.9375619000D-01 Exponent= 2.5338370000D+00 Coefficients= 4.8074014000D-01 Exponent= 1.1353090000D+00 Coefficients= 3.9770467000D-01 Exponent= 4.6789100000D-01 Coefficients= 9.7211000000D-02 Exponent= 1.8715600000D-01 Coefficients= -1.1917600000D-03 Exponent= 7.4862000000D-02 Coefficients= 2.2438100000D-03 Exponent= 2.9945000000D-02 Coefficients= -7.1044000000D-04 P 15 1.00 Exponent= 9.1487960000D+03 Coefficients= 4.7280000000D-05 Exponent= 2.1671710000D+03 Coefficients= 2.5497000000D-04 Exponent= 7.0338570000D+02 Coefficients= 1.2230500000D-03 Exponent= 2.6813420000D+02 Coefficients= 4.8274000000D-03 Exponent= 1.1300780000D+02 Coefficients= 1.5052860000D-02 Exponent= 5.0913390000D+01 Coefficients= 3.5986830000D-02 Exponent= 2.3877400000D+01 Coefficients= 5.6590110000D-02 Exponent= 1.1489240000D+01 Coefficients= 4.1160680000D-02 Exponent= 5.4368840000D+00 Coefficients= -1.0786046000D-01 Exponent= 2.5338370000D+00 Coefficients= -2.0762962000D-01 Exponent= 1.1353090000D+00 Coefficients= -8.1921850000D-02 Exponent= 4.6789100000D-01 Coefficients= 1.5749293000D-01 Exponent= 1.8715600000D-01 Coefficients= 5.2366088000D-01 Exponent= 7.4862000000D-02 Coefficients= 3.8676456000D-01 Exponent= 2.9945000000D-02 Coefficients= 8.9855200000D-02 P 15 1.00 Exponent= 9.1487960000D+03 Coefficients= -1.4791000000D-04 Exponent= 2.1671710000D+03 Coefficients= -8.1117000000D-04 Exponent= 7.0338570000D+02 Coefficients= -3.8125700000D-03 Exponent= 2.6813420000D+02 Coefficients= -1.5467440000D-02 Exponent= 1.1300780000D+02 Coefficients= -4.7269040000D-02 Exponent= 5.0913390000D+01 Coefficients= -1.1827663000D-01 Exponent= 2.3877400000D+01 Coefficients= -1.7146558000D-01 Exponent= 1.1489240000D+01 Coefficients= -1.5602102000D-01 Exponent= 5.4368840000D+00 Coefficients= 6.0109618000D-01 Exponent= 2.5338370000D+00 Coefficients= 6.0317690000D-01 Exponent= 1.1353090000D+00 Coefficients= -7.3692016000D-01 Exponent= 4.6789100000D-01 Coefficients= -5.6639815000D-01 Exponent= 1.8715600000D-01 Coefficients= 1.8355206000D-01 Exponent= 7.4862000000D-02 Coefficients= 3.5462382000D-01 Exponent= 2.9945000000D-02 Coefficients= 1.5997898000D-01 P 15 1.00 Exponent= 9.1487960000D+03 Coefficients= 1.2068000000D-04 Exponent= 2.1671710000D+03 Coefficients= 6.6832000000D-04 Exponent= 7.0338570000D+02 Coefficients= 3.1132500000D-03 Exponent= 2.6813420000D+02 Coefficients= 1.2876410000D-02 Exponent= 1.1300780000D+02 Coefficients= 3.9271140000D-02 Exponent= 5.0913390000D+01 Coefficients= 1.0185956000D-01 Exponent= 2.3877400000D+01 Coefficients= 1.3342383000D-01 Exponent= 1.1489240000D+01 Coefficients= 1.2729433000D-01 Exponent= 5.4368840000D+00 Coefficients= -8.0614219000D-01 Exponent= 2.5338370000D+00 Coefficients= 2.2660130000D-02 Exponent= 1.1353090000D+00 Coefficients= 1.0560846700D+00 Exponent= 4.6789100000D-01 Coefficients= -4.5472099000D-01 Exponent= 1.8715600000D-01 Coefficients= -8.3650162000D-01 Exponent= 7.4862000000D-02 Coefficients= 4.5024160000D-01 Exponent= 2.9945000000D-02 Coefficients= 5.7527472000D-01 P 15 1.00 Exponent= 9.1487960000D+03 Coefficients= -2.1427000000D-04 Exponent= 2.1671710000D+03 Coefficients= -1.0633300000D-03 Exponent= 7.0338570000D+02 Coefficients= -5.7576600000D-03 Exponent= 2.6813420000D+02 Coefficients= -2.0466510000D-02 Exponent= 1.1300780000D+02 Coefficients= -7.5926380000D-02 Exponent= 5.0913390000D+01 Coefficients= -1.6292692000D-01 Exponent= 2.3877400000D+01 Coefficients= -2.7544885000D-01 Exponent= 1.1489240000D+01 Coefficients= 4.5504640000D-02 Exponent= 5.4368840000D+00 Coefficients= 1.6513279800D+00 Exponent= 2.5338370000D+00 Coefficients= -1.8766817300D+00 Exponent= 1.1353090000D+00 Coefficients= 3.1497540000D-02 Exponent= 4.6789100000D-01 Coefficients= 1.4526817400D+00 Exponent= 1.8715600000D-01 Coefficients= -1.1226390100D+00 Exponent= 7.4862000000D-02 Coefficients= -1.8578526000D-01 Exponent= 2.9945000000D-02 Coefficients= 6.8167487000D-01 P 15 1.00 Exponent= 9.1487960000D+03 Coefficients= 3.2425000000D-04 Exponent= 2.1671710000D+03 Coefficients= 9.6462000000D-04 Exponent= 7.0338570000D+02 Coefficients= 9.8044400000D-03 Exponent= 2.6813420000D+02 Coefficients= 1.7271210000D-02 Exponent= 1.1300780000D+02 Coefficients= 1.3954986000D-01 Exponent= 5.0913390000D+01 Coefficients= 1.1058994000D-01 Exponent= 2.3877400000D+01 Coefficients= 6.7938235000D-01 Exponent= 1.1489240000D+01 Coefficients= -1.3679235600D+00 Exponent= 5.4368840000D+00 Coefficients= -2.8057273000D-01 Exponent= 2.5338370000D+00 Coefficients= 2.5425500300D+00 Exponent= 1.1353090000D+00 Coefficients= -3.0873293100D+00 Exponent= 4.6789100000D-01 Coefficients= 1.9527988200D+00 Exponent= 1.8715600000D-01 Coefficients= -1.9437318000D-01 Exponent= 7.4862000000D-02 Coefficients= -1.0442107100D+00 Exponent= 2.9945000000D-02 Coefficients= 8.8445284000D-01 P 15 1.00 Exponent= 9.1487960000D+03 Coefficients= -4.4398000000D-04 Exponent= 2.1671710000D+03 Coefficients= -1.0567600000D-03 Exponent= 7.0338570000D+02 Coefficients= -1.4097360000D-02 Exponent= 2.6813420000D+02 Coefficients= -1.8747710000D-02 Exponent= 1.1300780000D+02 Coefficients= -2.1355326000D-01 Exponent= 5.0913390000D+01 Coefficients= -8.9747260000D-02 Exponent= 2.3877400000D+01 Coefficients= -1.0565405000D+00 Exponent= 1.1489240000D+01 Coefficients= 3.5638906300D+00 Exponent= 5.4368840000D+00 Coefficients= -4.4504286800D+00 Exponent= 2.5338370000D+00 Coefficients= 3.0608026100D+00 Exponent= 1.1353090000D+00 Coefficients= -8.5162706000D-01 Exponent= 4.6789100000D-01 Coefficients= -9.5580903000D-01 Exponent= 1.8715600000D-01 Coefficients= 2.0195870400D+00 Exponent= 7.4862000000D-02 Coefficients= -2.1030519800D+00 Exponent= 2.9945000000D-02 Coefficients= 1.0989490200D+00 P 15 1.00 Exponent= 9.1487960000D+03 Coefficients= 2.6131000000D-04 Exponent= 2.1671710000D+03 Coefficients= 2.3385600000D-03 Exponent= 7.0338570000D+02 Coefficients= 6.1382600000D-03 Exponent= 2.6813420000D+02 Coefficients= 5.0789930000D-02 Exponent= 1.1300780000D+02 Coefficients= 1.0236829000D-01 Exponent= 5.0913390000D+01 Coefficients= 4.4122952000D-01 Exponent= 2.3877400000D+01 Coefficients= -1.3847858000D-01 Exponent= 1.1489240000D+01 Coefficients= -1.9584531400D+00 Exponent= 5.4368840000D+00 Coefficients= 4.1574675500D+00 Exponent= 2.5338370000D+00 Coefficients= -5.1155103700D+00 Exponent= 1.1353090000D+00 Coefficients= 4.8555042800D+00 Exponent= 4.6789100000D-01 Coefficients= -4.2034909600D+00 Exponent= 1.8715600000D-01 Coefficients= 3.5669841900D+00 Exponent= 7.4862000000D-02 Coefficients= -2.5780360800D+00 Exponent= 2.9945000000D-02 Coefficients= 1.1202964800D+00 D 10 1.00 Exponent= 2.5886670000D+02 Coefficients= 1.0216900000D-03 Exponent= 7.7496040000D+01 Coefficients= 8.3732400000D-03 Exponent= 2.9589720000D+01 Coefficients= 3.7665510000D-02 Exponent= 1.2515270000D+01 Coefficients= 1.1385420000D-01 Exponent= 5.6244680000D+00 Coefficients= 2.3276668000D-01 Exponent= 2.5513030000D+00 Coefficients= 3.1966188000D-01 Exponent= 1.1280600000D+00 Coefficients= 3.1455367000D-01 Exponent= 4.7537300000D-01 Coefficients= 2.4044093000D-01 Exponent= 1.8212800000D-01 Coefficients= 1.1530341000D-01 Exponent= 7.2851000000D-02 Coefficients= 1.9661170000D-02 D 10 1.00 Exponent= 2.5886670000D+02 Coefficients= -1.2011800000D-03 Exponent= 7.7496040000D+01 Coefficients= -9.6489500000D-03 Exponent= 2.9589720000D+01 Coefficients= -4.4761720000D-02 Exponent= 1.2515270000D+01 Coefficients= -1.3191824000D-01 Exponent= 5.6244680000D+00 Coefficients= -3.1120376000D-01 Exponent= 2.5513030000D+00 Coefficients= -3.0107488000D-01 Exponent= 1.1280600000D+00 Coefficients= 9.0419950000D-02 Exponent= 4.7537300000D-01 Coefficients= 4.4873842000D-01 Exponent= 1.8212800000D-01 Coefficients= 3.7370539000D-01 Exponent= 7.2851000000D-02 Coefficients= 1.1057730000D-01 D 10 1.00 Exponent= 2.5886670000D+02 Coefficients= 1.5120900000D-03 Exponent= 7.7496040000D+01 Coefficients= 1.2750070000D-02 Exponent= 2.9589720000D+01 Coefficients= 5.8426880000D-02 Exponent= 1.2515270000D+01 Coefficients= 1.6958615000D-01 Exponent= 5.6244680000D+00 Coefficients= 4.4093752000D-01 Exponent= 2.5513030000D+00 Coefficients= -4.3761860000D-02 Exponent= 1.1280600000D+00 Coefficients= -6.4337393000D-01 Exponent= 4.7537300000D-01 Coefficients= -1.2657071000D-01 Exponent= 1.8212800000D-01 Coefficients= 4.5741741000D-01 Exponent= 7.2851000000D-02 Coefficients= 3.8521899000D-01 D 10 1.00 Exponent= 2.5886670000D+02 Coefficients= -2.5180100000D-03 Exponent= 7.7496040000D+01 Coefficients= -2.7570480000D-02 Exponent= 2.9589720000D+01 Coefficients= -1.0540554000D-01 Exponent= 1.2515270000D+01 Coefficients= -3.8605679000D-01 Exponent= 5.6244680000D+00 Coefficients= -4.1609474000D-01 Exponent= 2.5513030000D+00 Coefficients= 9.1464486000D-01 Exponent= 1.1280600000D+00 Coefficients= 1.0710914000D-01 Exponent= 4.7537300000D-01 Coefficients= -7.3443274000D-01 Exponent= 1.8212800000D-01 Coefficients= 4.3531710000D-02 Exponent= 7.2851000000D-02 Coefficients= 5.9551569000D-01 D 10 1.00 Exponent= 2.5886670000D+02 Coefficients= 3.4728300000D-03 Exponent= 7.7496040000D+01 Coefficients= 4.8568440000D-02 Exponent= 2.9589720000D+01 Coefficients= 1.5609583000D-01 Exponent= 1.2515270000D+01 Coefficients= 7.5904964000D-01 Exponent= 5.6244680000D+00 Coefficients= -6.1664322000D-01 Exponent= 2.5513030000D+00 Coefficients= -7.5396635000D-01 Exponent= 1.1280600000D+00 Coefficients= 1.3629082800D+00 Exponent= 4.7537300000D-01 Coefficients= -6.1445191000D-01 Exponent= 1.8212800000D-01 Coefficients= -4.9059637000D-01 Exponent= 7.2851000000D-02 Coefficients= 7.1126503000D-01 D 10 1.00 Exponent= 2.5886670000D+02 Coefficients= -6.3099500000D-03 Exponent= 7.7496040000D+01 Coefficients= -5.4811860000D-02 Exponent= 2.9589720000D+01 Coefficients= -2.6431692000D-01 Exponent= 1.2515270000D+01 Coefficients= -8.1739535000D-01 Exponent= 5.6244680000D+00 Coefficients= 2.0410889700D+00 Exponent= 2.5513030000D+00 Coefficients= -1.8812454000D+00 Exponent= 1.1280600000D+00 Coefficients= 6.0346022000D-01 Exponent= 4.7537300000D-01 Coefficients= 6.8324273000D-01 Exponent= 1.8212800000D-01 Coefficients= -1.2577949700D+00 Exponent= 7.2851000000D-02 Coefficients= 8.5367963000D-01 D 10 1.00 Exponent= 2.5886670000D+02 Coefficients= 1.3967320000D-02 Exponent= 7.7496040000D+01 Coefficients= 3.0004710000D-02 Exponent= 2.9589720000D+01 Coefficients= 5.2910576000D-01 Exponent= 1.2515270000D+01 Coefficients= -1.1209604000D-01 Exponent= 5.6244680000D+00 Coefficients= -1.1881673500D+00 Exponent= 2.5513030000D+00 Coefficients= 2.3606034900D+00 Exponent= 1.1280600000D+00 Coefficients= -2.8216296900D+00 Exponent= 4.7537300000D-01 Coefficients= 2.5381801900D+00 Exponent= 1.8212800000D-01 Coefficients= -1.8642315500D+00 Exponent= 7.2851000000D-02 Coefficients= 9.0486494000D-01 D 10 1.00 Exponent= 2.5886670000D+02 Coefficients= -3.9993040000D-02 Exponent= 7.7496040000D+01 Coefficients= -1.5165657000D-01 Exponent= 2.9589720000D+01 Coefficients= -1.4532320000D+00 Exponent= 1.2515270000D+01 Coefficients= 2.8352579900D+00 Exponent= 5.6244680000D+00 Coefficients= -3.0548676500D+00 Exponent= 2.5513030000D+00 Coefficients= 2.4956756900D+00 Exponent= 1.1280600000D+00 Coefficients= -1.7405837600D+00 Exponent= 4.7537300000D-01 Coefficients= 1.0754907100D+00 Exponent= 1.8212800000D-01 Coefficients= -6.0207886000D-01 Exponent= 7.2851000000D-02 Coefficients= 2.4936131000D-01 F 6 1.00 Exponent= 1.4215600000D+01 Coefficients= 3.4498520000D-02 Exponent= 5.6345000000D+00 Coefficients= 2.4353888000D-01 Exponent= 2.2333000000D+00 Coefficients= 5.0059751000D-01 Exponent= 8.8520000000D-01 Coefficients= 3.5939826000D-01 Exponent= 3.5090000000D-01 Coefficients= 1.4998909000D-01 Exponent= 1.3910000000D-01 Coefficients= 2.8802040000D-02 F 6 1.00 Exponent= 1.4215600000D+01 Coefficients= -5.1785740000D-02 Exponent= 5.6345000000D+00 Coefficients= -5.1070224000D-01 Exponent= 2.2333000000D+00 Coefficients= -3.1250392000D-01 Exponent= 8.8520000000D-01 Coefficients= 5.0645252000D-01 Exponent= 3.5090000000D-01 Coefficients= 3.9081961000D-01 Exponent= 1.3910000000D-01 Coefficients= 1.2231516000D-01 F 6 1.00 Exponent= 1.4215600000D+01 Coefficients= 1.1301499000D-01 Exponent= 5.6345000000D+00 Coefficients= 7.5465660000D-01 Exponent= 2.2333000000D+00 Coefficients= -6.2436654000D-01 Exponent= 8.8520000000D-01 Coefficients= -3.7058618000D-01 Exponent= 3.5090000000D-01 Coefficients= 5.9041935000D-01 Exponent= 1.3910000000D-01 Coefficients= 2.8590836000D-01 F 6 1.00 Exponent= 1.4215600000D+01 Coefficients= -3.5808097000D-01 Exponent= 5.6345000000D+00 Coefficients= -4.5303511000D-01 Exponent= 2.2333000000D+00 Coefficients= 1.1957897900D+00 Exponent= 8.8520000000D-01 Coefficients= -1.1255941000D+00 Exponent= 3.5090000000D-01 Coefficients= 2.3901033000D-01 Exponent= 1.3910000000D-01 Coefficients= 5.3200484000D-01 F 6 1.00 Exponent= 1.4215600000D+01 Coefficients= 8.6508773000D-01 Exponent= 5.6345000000D+00 Coefficients= -7.3972655000D-01 Exponent= 2.2333000000D+00 Coefficients= 9.1440520000D-02 Exponent= 8.8520000000D-01 Coefficients= 6.4445558000D-01 Exponent= 3.5090000000D-01 Coefficients= -1.1930905500D+00 Exponent= 1.3910000000D-01 Coefficients= 9.9902658000D-01 F 6 1.00 Exponent= 1.4215600000D+01 Coefficients= -1.0378990100D+00 Exponent= 5.6345000000D+00 Coefficients= 1.4301303400D+00 Exponent= 2.2333000000D+00 Coefficients= -1.4522297600D+00 Exponent= 8.8520000000D-01 Coefficients= 1.4425267300D+00 Exponent= 3.5090000000D-01 Coefficients= -1.2978219500D+00 Exponent= 1.3910000000D-01 Coefficients= 7.6963803000D-01 G 4 1.00 Exponent= 8.0399000000D+00 Coefficients= 1.6521848000D-01 Exponent= 3.1601000000D+00 Coefficients= 5.9669277000D-01 Exponent= 1.2421000000D+00 Coefficients= 3.8606569000D-01 Exponent= 4.8820000000D-01 Coefficients= 1.1906366000D-01 G 4 1.00 Exponent= 8.0399000000D+00 Coefficients= -4.2724763000D-01 Exponent= 3.1601000000D+00 Coefficients= -4.5212922000D-01 Exponent= 1.2421000000D+00 Coefficients= 5.9027648000D-01 Exponent= 4.8820000000D-01 Coefficients= 4.2363165000D-01 G 4 1.00 Exponent= 8.0399000000D+00 Coefficients= 8.0017699000D-01 Exponent= 3.1601000000D+00 Coefficients= -4.4720382000D-01 Exponent= 1.2421000000D+00 Coefficients= -4.6263102000D-01 Exponent= 4.8820000000D-01 Coefficients= 8.4486838000D-01 G 4 1.00 Exponent= 8.0399000000D+00 Coefficients= -8.7400814000D-01 Exponent= 3.1601000000D+00 Coefficients= 1.3223036700D+00 Exponent= 1.2421000000D+00 Coefficients= -1.3406667300D+00 Exponent= 4.8820000000D-01 Coefficients= 8.4055038000D-01 H 2 1.00 Exponent= 3.9501000000D+00 Coefficients= 7.7948460000D-01 Exponent= 1.5526000000D+00 Coefficients= 3.4637326000D-01 H 2 1.00 Exponent= 3.9501000000D+00 Coefficients= -8.5664730000D-01 Exponent= 1.5526000000D+00 Coefficients= 1.1051997100D+00 **** Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=T. Ernie: 259 primitive shells out of 481 were deleted. There are 38 symmetry adapted basis functions of AG symmetry. There are 16 symmetry adapted basis functions of B1G symmetry. There are 16 symmetry adapted basis functions of B2G symmetry. There are 16 symmetry adapted basis functions of B3G symmetry. There are 10 symmetry adapted basis functions of AU symmetry. There are 24 symmetry adapted basis functions of B1U symmetry. There are 24 symmetry adapted basis functions of B2U symmetry. There are 24 symmetry adapted basis functions of B3U symmetry. Integral buffers will be 262144 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 168 basis functions, 738 primitive gaussians, 238 cartesian basis functions 14 alpha electrons 14 beta electrons nuclear repulsion energy 0.0000000000 Hartrees. IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 1 NActive= 1 NUniq= 1 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F Symmetry not used in FoFDir. MinBra= 0 MaxBra= 0 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Finite nuclear repulsion energy 0.0000000000. Leave Link 301 at Sat Sep 12 05:37:30 2015, MaxMem= 201326592 cpu: 0.0 (Enter D:\G09W\l302.exe) Using DK2 one-electron Hamiltonian. 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Symmetry not used in FoFCou. RelInt: Using uncontracted basis, NUniq= 207 NBsUse= 207 0.100E-13 NBasis= 168 RedAO= T NBF= 38 16 16 16 10 24 24 24 NBsUse= 168 1.00D-06 NBFU= 38 16 16 16 10 24 24 24 Leave Link 302 at Sat Sep 12 05:37:32 2015, MaxMem= 201326592 cpu: 2.0 (Enter D:\G09W\l303.exe) DipDrv: MaxL=1. Leave Link 303 at Sat Sep 12 05:37:33 2015, MaxMem= 201326592 cpu: 0.0 (Enter D:\G09W\l401.exe) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.39D-02 ExpMax= 5.05D+06 ExpMxC= 5.74D+03 IAcc=3 IRadAn= 0 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 0 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Harris En= -1378.78084297985 Initial guess orbital symmetries: Occupied (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T1U) (T1U) (T1U) (T2G) (T2G) (EG) (T2G) (EG) Virtual (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T2G) (EG) (T2G) (T2G) (EG) (T1U) (T1U) (T1U) (A2U) (?A) (?A) (?A) (?A) (?A) (?A) (A1G) (EG) (T2G) (T2G) (T2G) (EG) (A2U) (?A) (?A) (?A) (?A) (?A) (?A) (T1U) (T1U) (T1U) (EG) (T2G) (T2G) (T2G) (EG) (?B) (?B) (T2G) (T2G) (?B) (T2G) (?B) (?B) (?B) (A1G) (A2U) (?A) (?A) (?A) (?A) (?A) (?A) (T2G) (EG) (T2G) (T2G) (EG) (?B) (T2G) (T2G) (T2G) (?B) (?B) (?B) (?B) (?B) (A2U) (?A) (?A) (?A) (?A) (?A) (?A) (?C) (?C) (?C) (?C) (EU) (?C) (?C) (EU) (?C) (?C) (?C) (T1U) (T1U) (T1U) (A1G) (T2G) (EG) (T2G) (T2G) (EG) (?B) (?B) (T2G) (T2G) (?B) (?B) (T2G) (?B) (?B) (?A) (?A) (A2U) (?A) (?A) (?A) (?A) (?D) (?D) (?D) (?D) (?D) (?D) (?D) (?D) (?D) (EU) (EU) (EG) (T2G) (T2G) (T2G) (EG) (A1G) (EG) (EG) (T2G) (T2G) (T2G) (T1G) (T1G) (T1G) (A1G) (?A) (?A) (?A) (?A) (A2U) (?A) (?A) (T2G) (EG) (T2G) (T2G) (EG) The electronic state of the initial guess is 1-A1G. Leave Link 401 at Sat Sep 12 05:37:34 2015, MaxMem= 201326592 cpu: 1.0 (Enter D:\G09W\l502.exe) Closed shell SCF: 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. Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IEnd= 191754 IEndB= 191754 NGot= 201326592 MDV= 201208361 LenX= 201208361 LenY= 201151276 Fock matrices will be formed incrementally for 20 cycles. Cycle 1 Pass 0 IDiag 1: FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 0 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 0 NGrid= 0. Petite list used in FoFCou. E= -1347.20044562582 DIIS: error= 1.28D+00 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1347.20044562582 IErMin= 1 ErrMin= 1.28D+00 ErrMax= 1.28D+00 EMaxC= 1.00D-01 BMatC= 7.59D+01 BMatP= 7.59D+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= 0.955 Goal= None Shift= 0.000 GapD= 0.955 DampG=2.000 DampE=0.125 DampFc=0.2500 IDamp=-1. Damping current iteration by 2.50D-01 RMSDP=1.82D-02 MaxDP=6.56D-01 OVMax= 5.09D-01 Cycle 2 Pass 0 IDiag 1: RMSU= 2.74D-03 CP: 9.72D-01 E= -1351.10179004597 Delta-E= -3.901344420155 Rises=F Damp=T DIIS: error= 9.34D-01 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1351.10179004597 IErMin= 2 ErrMin= 9.34D-01 ErrMax= 9.34D-01 EMaxC= 1.00D-01 BMatC= 2.60D+01 BMatP= 7.59D+01 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-Com: -0.129D+01 0.229D+01 Coeff-En: 0.000D+00 0.100D+01 Coeff: 0.000D+00 0.100D+01 Gap= 0.929 Goal= None Shift= 0.000 RMSDP=1.02D-02 MaxDP=3.64D-01 DE=-3.90D+00 OVMax= 1.10D-01 Cycle 3 Pass 0 IDiag 1: RMSU= 1.36D-03 CP: 9.11D-01 3.00D+00 E= -1354.68976678993 Delta-E= -3.587976743955 Rises=F Damp=F DIIS: error= 5.61D-01 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1354.68976678993 IErMin= 3 ErrMin= 5.61D-01 ErrMax= 5.61D-01 EMaxC= 1.00D-01 BMatC= 1.52D+01 BMatP= 2.60D+01 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 EnCoef did 100 forward-backward iterations Coeff-Com: -0.461D+00 0.109D+01 0.375D+00 Coeff-En: 0.173D+00 0.559D-02 0.821D+00 Coeff: 0.173D+00 0.559D-02 0.821D+00 Gap= 0.408 Goal= None Shift= 0.000 RMSDP=7.67D-03 MaxDP=2.96D-01 DE=-3.59D+00 OVMax= 2.60D-01 Cycle 4 Pass 0 IDiag 1: RMSU= 1.60D-03 CP: 9.61D-01 1.68D+00 1.30D+00 E= -1356.71708138552 Delta-E= -2.027314595591 Rises=F Damp=F DIIS: error= 2.92D-01 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -1356.71708138552 IErMin= 4 ErrMin= 2.92D-01 ErrMax= 2.92D-01 EMaxC= 1.00D-01 BMatC= 3.08D+00 BMatP= 1.52D+01 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-Com: -0.422D+00 0.556D+00 0.103D+00 0.762D+00 Coeff-En: 0.000D+00 0.000D+00 0.116D+00 0.884D+00 Coeff: 0.000D+00 0.000D+00 0.116D+00 0.884D+00 Gap= 0.666 Goal= None Shift= 0.000 RMSDP=3.50D-03 MaxDP=1.32D-01 DE=-2.03D+00 OVMax= 1.23D-01 Cycle 5 Pass 0 IDiag 1: RMSU= 4.79D-04 CP: 9.40D-01 2.41D+00 1.30D+00 7.06D-01 E= -1357.07204825208 Delta-E= -0.354966866561 Rises=F Damp=F DIIS: error= 1.67D-01 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -1357.07204825208 IErMin= 5 ErrMin= 1.67D-01 ErrMax= 1.67D-01 EMaxC= 1.00D-01 BMatC= 1.20D+00 BMatP= 3.08D+00 IDIUse=3 WtCom= 0.00D+00 WtEn= 1.00D+00 Coeff-Com: -0.841D-01 0.110D+00-0.112D+00 0.333D+00 0.753D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.253D+00 0.747D+00 Coeff: 0.000D+00 0.000D+00 0.000D+00 0.253D+00 0.747D+00 Gap= 0.522 Goal= None Shift= 0.000 RMSDP=1.95D-03 MaxDP=7.63D-02 DE=-3.55D-01 OVMax= 6.89D-02 Cycle 6 Pass 0 IDiag 1: RMSU= 1.28D-04 CP: 9.52D-01 2.02D+00 1.40D+00 9.16D-01 7.14D-01 E= -1357.26048460960 Delta-E= -0.188436357528 Rises=F Damp=F DIIS: error= 5.49D-02 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -1357.26048460960 IErMin= 6 ErrMin= 5.49D-02 ErrMax= 5.49D-02 EMaxC= 1.00D-01 BMatC= 1.13D-01 BMatP= 1.20D+00 IDIUse=3 WtCom= 4.51D-01 WtEn= 5.49D-01 Coeff-Com: 0.310D-01-0.413D-01 0.136D-01-0.203D+00 0.449D-01 0.115D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.140D-01-0.187D-01 0.614D-02-0.915D-01 0.203D-01 0.107D+01 Gap= 0.561 Goal= None Shift= 0.000 RMSDP=6.22D-04 MaxDP=2.41D-02 DE=-1.88D-01 OVMax= 2.21D-02 Cycle 7 Pass 0 IDiag 1: RMSU= 1.65D-05 CP: 9.48D-01 2.15D+00 1.40D+00 8.62D-01 8.97D-01 CP: 9.99D-01 E= -1357.27553123772 Delta-E= -0.015046628113 Rises=F Damp=F DIIS: error= 2.70D-02 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -1357.27553123772 IErMin= 7 ErrMin= 2.70D-02 ErrMax= 2.70D-02 EMaxC= 1.00D-01 BMatC= 2.99D-02 BMatP= 1.13D-01 IDIUse=3 WtCom= 7.30D-01 WtEn= 2.70D-01 Coeff-Com: 0.298D-02-0.366D-02 0.700D-02-0.268D-01-0.103D+00 0.291D+00 Coeff-Com: 0.832D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.162D+00 Coeff-En: 0.838D+00 Coeff: 0.217D-02-0.267D-02 0.511D-02-0.196D-01-0.748D-01 0.256D+00 Coeff: 0.834D+00 Gap= 0.544 Goal= None Shift= 0.000 RMSDP=2.57D-04 MaxDP=9.83D-03 DE=-1.50D-02 OVMax= 8.97D-03 Cycle 8 Pass 0 IDiag 1: RMSU= 2.65D-06 CP: 9.50D-01 2.09D+00 1.40D+00 8.88D-01 8.49D-01 CP: 1.11D+00 8.50D-01 E= -1357.28057611267 Delta-E= -0.005044874951 Rises=F Damp=F DIIS: error= 3.68D-03 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -1357.28057611267 IErMin= 8 ErrMin= 3.68D-03 ErrMax= 3.68D-03 EMaxC= 1.00D-01 BMatC= 5.28D-04 BMatP= 2.99D-02 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.68D-02 Coeff-Com: -0.781D-04 0.978D-04-0.161D-02 0.190D-02 0.255D-01-0.703D-01 Coeff-Com: -0.928D-01 0.114D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.752D-04 0.942D-04-0.156D-02 0.183D-02 0.246D-01-0.677D-01 Coeff: -0.893D-01 0.113D+01 Gap= 0.546 Goal= None Shift= 0.000 RMSDP=3.10D-05 MaxDP=1.18D-03 DE=-5.04D-03 OVMax= 1.07D-03 Cycle 9 Pass 0 IDiag 1: RMSU= 3.51D-07 CP: 9.50D-01 2.10D+00 1.40D+00 8.85D-01 8.57D-01 CP: 1.10D+00 8.77D-01 1.08D+00 E= -1357.28067025181 Delta-E= -0.000094139143 Rises=F Damp=F DIIS: error= 1.52D-04 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -1357.28067025181 IErMin= 9 ErrMin= 1.52D-04 ErrMax= 1.52D-04 EMaxC= 1.00D-01 BMatC= 8.90D-07 BMatP= 5.28D-04 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.52D-03 Coeff-Com: 0.392D-04-0.534D-04 0.744D-04-0.927D-04-0.115D-02 0.186D-02 Coeff-Com: 0.823D-02 0.351D-01 0.956D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.392D-04-0.534D-04 0.743D-04-0.925D-04-0.115D-02 0.186D-02 Coeff: 0.822D-02 0.351D-01 0.956D+00 Gap= 0.546 Goal= None Shift= 0.000 RMSDP=1.32D-06 MaxDP=5.24D-05 DE=-9.41D-05 OVMax= 4.73D-05 Initial convergence to 1.0D-05 achieved. Increase integral accuracy. Cycle 10 Pass 1 IDiag 1: E= -1357.28067041845 Delta-E= -0.000000166635 Rises=F Damp=F DIIS: error= 2.86D-06 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -1357.28067041845 IErMin= 1 ErrMin= 2.86D-06 ErrMax= 2.86D-06 EMaxC= 1.00D-01 BMatC= 3.55D-10 BMatP= 3.55D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.100D+01 Coeff: 0.100D+01 Gap= 0.546 Goal= None Shift= 0.000 RMSDP=1.32D-06 MaxDP=5.24D-05 DE=-1.67D-07 OVMax= 2.66D-06 Cycle 11 Pass 1 IDiag 1: RMSU= 4.12D-08 CP: 1.00D+00 E= -1357.28067041847 Delta-E= -0.000000000022 Rises=F Damp=F DIIS: error= 3.15D-06 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -1357.28067041847 IErMin= 1 ErrMin= 2.86D-06 ErrMax= 3.15D-06 EMaxC= 1.00D-01 BMatC= 3.73D-10 BMatP= 3.55D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.506D+00 0.494D+00 Coeff: 0.506D+00 0.494D+00 Gap= 0.546 Goal= None Shift= 0.000 RMSDP=2.50D-08 MaxDP=9.94D-07 DE=-2.16D-11 OVMax= 8.82D-07 Cycle 12 Pass 1 IDiag 1: RMSU= 5.86D-09 CP: 1.00D+00 6.47D-01 E= -1357.28067041854 Delta-E= -0.000000000075 Rises=F Damp=F DIIS: error= 1.11D-07 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -1357.28067041854 IErMin= 3 ErrMin= 1.11D-07 ErrMax= 1.11D-07 EMaxC= 1.00D-01 BMatC= 3.96D-13 BMatP= 3.55D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.162D-01-0.412D-02 0.988D+00 Coeff: 0.162D-01-0.412D-02 0.988D+00 Gap= 0.546 Goal= None Shift= 0.000 RMSDP=1.80D-09 MaxDP=7.23D-08 DE=-7.46D-11 OVMax= 8.93D-08 SCF Done: E(RHF) = -1357.28067042 A.U. after 12 cycles Convg = 0.1799D-08 -V/T = 2.0310 KE= 1.316443239984D+03 PE=-3.181865294055D+03 EE= 5.081413836521D+02 Leave Link 502 at Sat Sep 12 05:59:09 2015, MaxMem= 201326592 cpu: 1295.0 (Enter D:\G09W\l601.exe) Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T2G) (T2G) (EG) (T2G) (EG) (T1U) (T1U) (T1U) Virtual (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T2G) (T2G) (EG) (T2G) (EG) (T1U) (T1U) (T1U) (A2U) (?A) (?A) (?A) (?A) (?A) (?A) (A1G) (T2G) (T2G) (T2G) (EG) (EG) (A2U) (?A) (?A) (?A) (?A) (?A) (?A) (T1U) (T1U) (T1U) (T2G) (T2G) (T2G) (EG) (EG) (?B) (?B) (T2G) (T2G) (?B) (T2G) (?B) (?B) (?B) (A1G) (A2U) (?A) (?A) (?A) (?A) (?A) (?A) (T2G) (EG) (T2G) (T2G) (EG) (?B) (?B) (T2G) (T2G) (?B) (T2G) (?B) (?B) (?B) (?A) (?A) (A2U) (?A) (?A) (?A) (?A) (?C) (?C) (?C) (?C) (?C) (?C) (EU) (EU) (?C) (?C) (?C) (T1U) (T1U) (T1U) (A1G) (T2G) (EG) (T2G) (T2G) (EG) (?B) (?B) (T2G) (T2G) (?B) (T2G) (?B) (?B) (?B) (?A) (?A) (A2U) (?A) (?A) (?A) (?A) (?D) (?D) (?D) (EU) (?D) (?D) (EU) (?D) (?D) (?D) (?D) (EG) (T2G) (T2G) (T2G) (EG) (?B) (?B) (?B) (?B) (T2G) (T2G) (T2G) (?B) (?B) (A1G) (?A) (?A) (?A) (?A) (?A) (A2U) (?A) (T2G) (EG) (T2G) (T2G) (EG) The electronic state is 1-A1G. Alpha occ. eigenvalues -- -325.69176 -44.85077 -13.11009 -13.11009 -13.11009 Alpha occ. eigenvalues -- -5.73848 -1.41857 -1.41857 -1.41857 -1.41857 Alpha occ. eigenvalues -- -1.41857 -0.62184 -0.62184 -0.62184 Alpha virt. eigenvalues -- -0.07567 0.02857 0.08711 0.08711 0.08711 Alpha virt. eigenvalues -- 0.15939 0.21535 0.21535 0.21535 0.21535 Alpha virt. eigenvalues -- 0.21535 0.49260 0.49260 0.49260 0.55479 Alpha virt. eigenvalues -- 0.55479 0.55479 0.55479 0.55479 0.55479 Alpha virt. eigenvalues -- 0.55479 0.59097 0.67486 0.67486 0.67486 Alpha virt. eigenvalues -- 0.67486 0.67486 1.58321 1.58321 1.58321 Alpha virt. eigenvalues -- 1.58321 1.58321 1.58321 1.58321 1.84173 Alpha virt. eigenvalues -- 1.84173 1.84173 1.84466 1.84466 1.84466 Alpha virt. eigenvalues -- 1.84466 1.84466 2.37909 2.37909 2.37909 Alpha virt. eigenvalues -- 2.37909 2.37909 2.37909 2.37909 2.37909 Alpha virt. eigenvalues -- 2.37909 2.73079 3.68716 3.68716 3.68716 Alpha virt. eigenvalues -- 3.68716 3.68716 3.68716 3.68716 4.91776 Alpha virt. eigenvalues -- 4.91776 4.91776 4.91776 4.91776 6.44740 Alpha virt. eigenvalues -- 6.44740 6.44740 6.44740 6.44740 6.44740 Alpha virt. eigenvalues -- 6.44740 6.44740 6.44740 8.26916 8.26916 Alpha virt. eigenvalues -- 8.26916 8.26916 8.26916 8.26916 8.26916 Alpha virt. eigenvalues -- 8.79653 8.79653 8.79653 8.79653 8.79653 Alpha virt. eigenvalues -- 8.79653 8.79653 8.79653 8.79653 8.79653 Alpha virt. eigenvalues -- 8.79653 9.38453 9.38453 9.38453 11.53503 Alpha virt. eigenvalues -- 12.68698 12.68698 12.68698 12.68698 12.68698 Alpha virt. eigenvalues -- 15.63374 15.63374 15.63374 15.63374 15.63374 Alpha virt. eigenvalues -- 15.63374 15.63374 15.63374 15.63374 19.76161 Alpha virt. eigenvalues -- 19.76161 19.76161 19.76161 19.76161 19.76161 Alpha virt. eigenvalues -- 19.76161 23.76914 23.76914 23.76914 23.76914 Alpha virt. eigenvalues -- 23.76914 23.76914 23.76914 23.76914 23.76914 Alpha virt. eigenvalues -- 23.76914 23.76914 32.25038 32.25038 32.25038 Alpha virt. eigenvalues -- 32.25038 32.25038 38.46251 38.46251 38.46251 Alpha virt. eigenvalues -- 38.46251 38.46251 38.46251 38.46251 38.46251 Alpha virt. eigenvalues -- 38.46251 40.14699 50.34063 50.34063 50.34063 Alpha virt. eigenvalues -- 50.34063 50.34063 50.34063 50.34063 86.34334 Alpha virt. eigenvalues -- 86.34334 86.34334 86.34334 86.34334 Condensed to atoms (all electrons): 1 1 Ni 28.000000 Mulliken atomic charges: 1 1 Ni 0.000000 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 Ni 0.000000 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 Electronic spatial extent (au): = 34.3352 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= 0.0000 Tot= 0.0000 Quadrupole moment (field-independent basis, Debye-Ang): XX= -15.3940 YY= -15.3940 ZZ= -15.3940 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.0000 YY= 0.0000 ZZ= 0.0000 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= 0.0000 ZZZ= 0.0000 XYY= 0.0000 XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -48.3803 YYYY= -48.3803 ZZZZ= -48.3803 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -16.1268 XXZZ= -16.1268 YYZZ= -16.1268 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 0.000000000000D+00 E-N=-3.181865282444D+03 KE= 1.316443239984D+03 Symmetry AG KE= 1.093413252044D+03 Symmetry B1G KE= 2.983545677277D+01 Symmetry B2G KE= 2.983545677277D+01 Symmetry B3G KE= 2.983545677277D+01 Symmetry AU KE= 1.211719012889D-52 Symmetry B1U KE= 4.450787254063D+01 Symmetry B2U KE= 4.450787254063D+01 Symmetry B3U KE= 4.450787254063D+01 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Sep 12 05:59:10 2015, MaxMem= 201326592 cpu: 1.0 (Enter D:\G09W\l9999.exe) 1|1|UNPC-PRIMEFAN|SP|RHF|Gen|Ni1|ADMINISTRATOR|12-Sep-2015|0||#p HF/Ge n Int(DKH,ExactBasisTransform)||Ni||0,1|Ni||Version=IA32W-G09RevA.02|S tate=1-A1G|HF=-1357.2806704|RMSD=1.799e-009|Dipole=0.,0.,0.|Quadrupole =0.,0.,0.,0.,0.,0.|PG=OH [O(Ni1)]||@ OF ALL THE WONDERS OF THE UNIVERSE, THE GREATEST IS MAN. -- ARISTOTLE Job cpu time: 0 days 0 hours 21 minutes 40.0 seconds. File lengths (MBytes): RWF= 21 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Sat Sep 12 05:59:10 2015.