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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, 2010. ****************************************** Gaussian 09: EM64W-G09RevC.01 23-Sep-2011 05-Mar-2013 ****************************************** %chk=\\ic.ac.uk\homes\ajg110\3rdyearlab\Physical\Boat TS\631G opt\boat_TS_opt_63 1G.chk ---------------------------------------------------------------------- # opt=(rcfc,ts) rb3lyp/6-31g(d) scrf=check guess=tcheck genchk geom=al lcheck ---------------------------------------------------------------------- 1/5=1,10=5,14=-1,18=20,26=3,29=7,38=1,40=1/1,3; 2/9=110,12=2,40=1/2; 3/5=1,6=6,7=1,11=2,14=-4,16=1,25=1,30=1,70=2,71=1,74=-5,116=1/1,2,3; 4/5=101/1; 5/5=2/2; 6/7=2,8=2,9=2,10=2,28=1/1; 7//1,2,3,16; 1/5=1,14=-1,18=20/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=2,14=-2,16=1,25=1,30=1,70=5,71=1,74=-5,116=1/1,2,3; 4/5=5,16=3/1; 5/5=2,38=5/2; 7//1,2,3,16; 1/5=1,14=-1,18=20/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,19=2,28=1/1; 99/9=1/99; Structure from the checkpoint file: \\ic.ac.uk\homes\ajg110\3rdyearlab\Physical\Boat TS\631G opt\boat_TS_opt_631G.chk FileIO operation on non-existent file. FileIO: IOper= 2 IFilNo(1)=-20502 Len= 100 IPos= 4 Q= 5479213184 dumping /fiocom/, unit = 1 NFiles = 14 SizExt = 524288 WInBlk = 512 defal = T LstWrd = 598016 FType=2 FMxFil=10000 Number 0 501 502 598 989 991 992 993 Base 180224 43520 72192 76800 44544 65536 65024 43008 End 598016 44520 76297 76802 64544 72098 65033 43208 End1 598016 44544 76800 77312 65024 72192 65536 43520 Wr Pntr 180224 43520 72192 76800 44544 65536 65024 43008 Rd Pntr 180224 43520 72192 76800 44544 72098 65033 43208 Length 417792 1000 4105 2 20000 6562 9 200 Number 994 995 996 997 998 999 Base 40448 42496 41472 41984 40960 77312 End 40478 42516 41672 42058 41160 179816 End1 40960 43008 41984 42496 41472 180224 Wr Pntr 40448 42496 41472 41984 40960 77312 Rd Pntr 40478 42516 41672 42055 41160 79816 Length 30 20 200 74 200 102504 dumping /fiocom/, unit = 2 NFiles = 1 SizExt = 0 WInBlk = 512 defal = F LstWrd = 67072 FType=2 FMxFil=10000 Number 0 Base 40448 End 67072 End1 67072 Wr Pntr 40448 Rd Pntr 40448 Length 26624 dumping /fiocom/, unit = 3 NFiles = 1 SizExt = 524288 WInBlk = 512 defal = T LstWrd = 67072 FType=2 FMxFil=10000 Number 0 Base 40448 End 67072 End1 67072 Wr Pntr 40448 Rd Pntr 40448 Length 26624 Error termination in NtrErr: NtrErr Called from FileIO.