Entering Gaussian System, Link 0=/usr/local/g03/g03 Initial command: /usr/local/g03/l1.exe /home/chaquin/ENSEIGNEMENT/Gau-15415.inp -scrdir=/home/chaquin/ENSEIGNEMENT/ Entering Link 1 = /usr/local/g03/l1.exe PID= 15416. 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 C.02, 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, 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-G03RevC.02 12-Jun-2004 8-Jan-2012 ****************************************** ---------------------------- # AM1 pop=full gfprint nosym ---------------------------- 1/30=1,38=1/1; 2/15=1,17=6,18=5,40=1/2; 3/5=2,11=9,12=1,16=1,24=100,25=1,30=1/1; 4/5=3,11=1,20=5,24=3,35=1/1,2; 6/7=3/1; 99/5=1,9=1/99; ------------- *** H2CO **** ------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 H H 1 0.74 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 1 0 0.000000 0.000000 0.000000 2 1 0 0.000000 0.000000 0.740000 --------------------------------------------------------------------- Symmetry turned off by external request. Stoichiometry H2 Framework group D*H[C*(H.H)] Deg. of freedom 1 Full point group D*H NOp 8 Rotational constants (GHZ): 0.0000000 1831.4649410 1831.4649410 Standard basis: VSTO-3G (5D, 7F) AO basis set: Atom H1 Shell 1 S 3 bf 1 - 1 0.000000000000 0.000000000000 0.000000000000 0.3425250914D+01 0.1543289673D+00 0.6239137298D+00 0.5353281423D+00 0.1688554040D+00 0.4446345422D+00 Atom H2 Shell 2 S 3 bf 2 - 2 0.000000000000 0.000000000000 1.398397339102 0.3425250914D+01 0.1543289673D+00 0.6239137298D+00 0.5353281423D+00 0.1688554040D+00 0.4446345422D+00 Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned off. 2 basis functions, 6 primitive gaussians, 2 cartesian basis functions 1 alpha electrons 1 beta electrons nuclear repulsion energy 0.7151043355 Hartrees. NAtoms= 2 NActive= 2 NUniq= 2 SFac= 1.00D+00 NAtFMM= 60 Big=F Simple Huckel Guess. RHF-AM1 calculation of energy. MO and density RWFs will be updated without deorthogonalization. Closed-shell calculation: 1 occupied levels. NNHCO= 0. References: H: (AM1): M.J.S. DEWAR ET AL, J. AM. CHEM. SOC. 107 3902-3909 (1985) Ext34=T Pulay=F Camp-King=F BShift= 0.00D+00 It= 1 PL= 0.500D+00 DiagD=T ESCF= -0.159982 Diff=-0.450D+01 RMSDP= 0.100D+01. It= 2 PL= 0.000D+00 DiagD=T ESCF= -0.159982 Diff= 0.493D-14 RMSDP= 0.000D+00. Energy= -0.005879355684 NIter= 3. Dipole moment= 0.000000 0.000000 0.000000 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -0.53404 Alpha virt. eigenvalues -- 0.16856 Molecular Orbital Coefficients 1 2 O V EIGENVALUES -- -0.53404 0.16856 1 1 H 1S 0.70711 0.70711 2 2 H 1S 0.70711 -0.70711 DENSITY MATRIX. 1 2 1 1 H 1S 1.00000 2 2 H 1S 1.00000 1.00000 Full Mulliken population analysis: 1 2 1 1 H 1S 1.00000 2 2 H 1S 0.00000 1.00000 Gross orbital populations: 1 1 1 H 1S 1.00000 2 2 H 1S 1.00000 Condensed to atoms (all electrons): 1 2 1 H 1.000000 0.000000 2 H 0.000000 1.000000 Mulliken atomic charges: 1 1 H 0.000000 2 H 0.000000 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 H 0.000000 2 H 0.000000 Sum of Mulliken charges= 0.00000 FileIO operation on non-existent file. FileIO: IOper= 2 IFilNo(1)= -516 Len= 3 IPos= 0 Q= 47500291825768 dumping /fiocom/, unit = 1 NFiles = 45 SizExt = 524288 WInBlk = 512 defal = T LstWrd = 1608704 FType=2 FMxFil=10000 Number 0 0 0 501 502 503 507 508 Base 1300992 1299456 1304576 423424 435712 583680 584192 1296384 End 1301504 1299968 1608704 424424 479812 583687 844196 1296414 End1 1301504 1299968 1608704 424448 480256 584192 844288 1296896 Wr Pntr 1300992 1299456 1304576 423424 435712 583680 584192 1296384 Rd Pntr 1300992 1299457 1304576 423424 475812 583680 584192 1296384 Length 512 512 304128 1000 44100 7 260004 30 Number 514 520 521 522 523 524 528 532 Base 1301504 1298432 1292288 1300480 1299968 1303040 1303552 1304064 End 1301507 1298442 1292323 1300482 1299972 1303044 1303555 1304067 End1 1302016 1298944 1292800 1300992 1300480 1303552 1304064 1304576 Wr Pntr 1301504 1298432 1292288 1300480 1299968 1303040 1303552 1304064 Rd Pntr 1301507 1298432 1292288 1300482 1299968 1303044 1303555 1304064 Length 3 10 35 2 4 4 3 3 Number 552 559 562 570 577 580 581 582 Base 1291264 1293824 1084928 844288 1295360 1293312 1295872 1294848 End 1291284 1293826 1290992 1084288 1295410 1293316 1295874 1294854 End1 1291776 1294336 1291264 1084416 1295872 1293824 1296384 1295360 Wr Pntr 1291264 1293824 1084928 844288 1295360 1293312 1295872 1294848 Rd Pntr 1291264 1293825 1285212 844288 1295360 1293312 1295872 1294848 Length 20 2 206064 240000 50 4 2 6 Number 583 584 598 603 605 606 619 670 Base 1294336 1296896 480256 1298944 1302016 1302528 1297408 1292800 End 1294339 1296908 480258 1298948 1302019 1302530 1297749 1292876 End1 1294848 1297408 480768 1299456 1302528 1303040 1297920 1293312 Wr Pntr 1294336 1296896 480256 1298948 1302019 1302528 1297408 1292800 Rd Pntr 1294336 1296896 480256 1298948 1302016 1302528 1297409 1292876 Length 3 12 2 4 3 2 341 76 Number 674 695 698 989 991 992 993 994 Base 1084416 1297920 1291776 424448 429056 428544 422912 40448 End 1084466 1298010 1291788 428448 435618 428553 423112 40478 End1 1084928 1298432 1292288 428544 435712 429056 423424 40960 Wr Pntr 1084416 1297920 1291776 424448 429056 428544 422912 40448 Rd Pntr 1084416 1297920 1291776 424448 435618 428553 423112 40478 Length 50 90 12 4000 6562 9 200 30 Number 995 996 997 998 999 Base 422400 41472 41984 40960 480768 End 422420 41672 421996 41060 583272 End1 422912 41984 422400 41472 583680 Wr Pntr 422400 41472 41984 40960 480768 Rd Pntr 422420 41672 421996 41060 483272 Length 20 200 380012 100 102504 dumping /fiocom/, unit = 2 NFiles = 1 SizExt = 0 WInBlk = 512 defal = F LstWrd = 65536 FType=2 FMxFil=10000 Number 0 Base 40448 End 65536 End1 65536 Wr Pntr 40448 Rd Pntr 40448 Length 25088 dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 512 defal = T LstWrd = 65536 FType=2 FMxFil=10000 Number 0 Base 40448 End 65536 End1 65536 Wr Pntr 40448 Rd Pntr 40448 Length 25088 Error termination in NtrErr: NtrErr Called from FileIO. Command exited with non-zero status 1 0.45user 0.37system 0:01.41elapsed 58%CPU (0avgtext+0avgdata 0maxresident)k 0inputs+0outputs (161major+112986minor)pagefaults 0swaps