Acrylonitrile 13CH2=CHCN Tue Mar 03 18:10:16 2009 27 514 5 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 4.919520489372293E+004 1.00000000E+020 /A 20000 4.837580022576822E+003 1.00000000E+020 /B 30000 4.398242377744779E+003 1.00000000E+020 /C 200 -2.119464508878577E-003 1.00000000E+020 /-DJ 1100 8.633845995843528E-002 1.00000000E+020 /-DJK 2000 -2.695408609734554E+000 1.00000000E+020 /-DK 40100 -4.383728957357608E-004 1.00000000E+020 /d1 50000 -2.796750435913484E-005 1.00000000E+020 /d2 300 5.610175208524373E-009 1.00000000E+020 /HJ 1200 -2.813483367276086E-007 1.00000000E+020 /HJK 2100 -7.038539004006989E-006 1.00000000E+020 /HKJ 3000 3.843601096542398E-004 1.00000000E+020 /HK 40200 2.196792820186422E-009 1.00000000E+020 /h1 50100 3.155812770663087E-010 1.00000000E+020 /h2 60000 6.425143024211841E-011 1.00000000E+020 /h3 400 -2.230218102227837E-014 1.00000000E-035 /LJ 1300 1.634349807984398E-012 1.00000000E+020 /LJJK 2200 -6.375963205390964E-011 1.00000000E+020 /LJK 3100 1.231167667663659E-009 1.00000000E+020 /LKKJ 4000 -6.122681127216152E-008 1.00000000E+020 /LK 40300 -1.076404095884313E-014 1.00000000E-037 /l1 50200 -2.454532354027927E-015 1.00000000E-037 /l2 60100 -1.277038117534919E-015 1.00000000E-037 /l3 70000 -2.363193259234468E-016 1.00000000E-037 /l4 3200 -1.267736139999017E-013 1.00000000E-037 /PKJ 4100 -9.642041191562001E-014 1.00000000E-037 /PKKJ 5000 6.288597296779450E-012 1.00000000E-037 /PK ! !////////////////////////////////////////////////////////////////////////////// ! ! Below are backup copies of the PAR files used with the title LIN file, ! with a short summary of the corresponding results of fit: ! !------------------------------------------------------------------------------ ! ! reduction-S, assumed constants are from 3sigma fit for the parent ! ! RMS ERROR= 1.08230 1.08230 ! Acrylonitrile 13CH2=CHCN Tue Mar 03 18:10:16 2009 27 514 5 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 4.919520489372293E+004 1.00000000E+020 /A 20000 4.837580022576822E+003 1.00000000E+020 /B 30000 4.398242377744779E+003 1.00000000E+020 /C 200 -2.119464508878577E-003 1.00000000E+020 /-DJ 1100 8.633845995843528E-002 1.00000000E+020 /-DJK 2000 -2.695408609734554E+000 1.00000000E+020 /-DK 40100 -4.383728957357608E-004 1.00000000E+020 /d1 50000 -2.796750435913484E-005 1.00000000E+020 /d2 300 5.610175208524373E-009 1.00000000E+020 /HJ 1200 -2.813483367276086E-007 1.00000000E+020 /HJK 2100 -7.038539004006989E-006 1.00000000E+020 /HKJ 3000 3.843601096542398E-004 1.00000000E+020 /HK 40200 2.196792820186422E-009 1.00000000E+020 /h1 50100 3.155812770663087E-010 1.00000000E+020 /h2 60000 6.425143024211841E-011 1.00000000E+020 /h3 400 -2.230218102227837E-014 1.00000000E-035 /LJ 1300 1.634349807984398E-012 1.00000000E+020 /LJJK 2200 -6.375963205390964E-011 1.00000000E+020 /LJK 3100 1.231167667663659E-009 1.00000000E+020 /LKKJ 4000 -6.122681127216152E-008 1.00000000E+020 /LK 40300 -1.076404095884313E-014 1.00000000E-037 /l1 50200 -2.454532354027927E-015 1.00000000E-037 /l2 60100 -1.277038117534919E-015 1.00000000E-037 /l3 70000 -2.363193259234468E-016 1.00000000E-037 /l4 3200 -1.267736139999017E-013 1.00000000E-037 /PKJ 4100 -9.642041191562001E-014 1.00000000E-037 /PKKJ 5000 6.288597296779450E-012 1.00000000E-037 /PK ! !------------------------------------------------------------------------------