Entering Gaussian System, Link 0=g03 Input=2BDM_cm1n.com Output=2BDM_cm1n.log Initial command: /uufs/arches/sys/g03/g03/l1.exe /scratch/serial-beta/cheatham/tmp_cm1n/Gau-12159.inp -scrdir=/scratch/serial-beta/cheatham/tmp_cm1n/ Entering Link 1 = /uufs/arches/sys/g03/g03/l1.exe PID= 12160. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004, Gaussian, Inc. All Rights Reserved. This is the Gaussian(R) 03 program. It is based on the 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 03, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, 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, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004. ****************************************** Gaussian 03: AM64L-G03RevD.01 13-Oct-2005 22-Mar-2007 ****************************************** %Nprocs=2 Will use up to 2 processors via shared memory. %Nprocl=1 Will use up to 1 processors via Linda. %mem=1900mb %chk=2BDM_cm1n.chk ---------------------------------------------------------------------- # opt hf/6-31g(d) geom=allchk scf=tight test pop=mk iop(6/33=2,6/42=6) maxdisk=500000000000 ---------------------------------------------------------------------- 1/18=20,29=7,38=1/1,3; 2/9=110,40=1/2; 3/5=1,6=6,7=1,11=9,16=1,25=1,30=1/1,2,3; 4//1; 5/5=2,32=2,38=5/2; 6/7=2,8=2,9=2,10=2,15=8,20=1,28=1,33=2,42=6/1,2; 7//1,2,3,16; 1/18=20/3(3); 2/9=110/2; 6/7=2,8=2,9=2,10=2,15=8,19=2,20=1,28=1,33=2,42=6/1,2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=9,16=1,25=1,30=1/1,2,3; 4/5=5,16=3/1; 5/5=2,32=2,38=5/2; 7//1,2,3,16; 1/18=20/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,15=8,19=2,20=1,28=1,33=2,42=6/1,2; 99/9=1/99; FileIO operation on non-existent file. FileIO: IOper= 2 IFilNo(1)=-20502 Len= 100 IPos= 40000 Q= 13678624 dumping /fiocom/, unit = 1 NFiles = 14 SizExt = 524288 WInBlk = 4096 defal = T LstWrd = 958464 FType=2 FMxFil=10000 Number 0 501 502 598 989 991 992 993 Base 618496 442368 462848 507904 446464 454656 450560 438272 End 958464 443368 506948 507906 450464 461218 450569 438472 End1 958464 446464 507904 512000 450560 462848 454656 442368 Wr Pntr 618496 442368 462848 507904 446464 454656 450560 438272 Rd Pntr 618496 442368 462848 507904 446464 461218 450569 438472 Length 339968 1000 44100 2 4000 6562 9 200 Number 994 995 996 997 998 999 Base 40960 434176 49152 53248 45056 512000 End 40990 434196 49352 433260 45156 614504 End1 45056 438272 53248 434176 49152 618496 Wr Pntr 40960 434176 49152 53248 45056 512000 Rd Pntr 40990 434196 49352 433260 45156 514504 Length 30 20 200 380012 100 102504 dumping /fiocom/, unit = 2 NFiles = 1 SizExt = 0 WInBlk = 4096 defal = F LstWrd = 65536 FType=2 FMxFil=10000 Number 0 Base 40960 End 65536 End1 65536 Wr Pntr 40960 Rd Pntr 40960 Length 24576 dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 4096 defal = T LstWrd = 65536 FType=2 FMxFil=10000 Number 0 Base 40960 End 65536 End1 65536 Wr Pntr 40960 Rd Pntr 40960 Length 24576 Error termination in NtrErr: NtrErr Called from FileIO.