Acrylonitrile CH2=CHC15N Wed Mar 04 18:00:42 2009 28 301 5 0 0.0000E+000 1.0000E+005 1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 4.965562596363141E+004 1.00000000E+000 /A 20000 4.819668303538972E+003 1.00000000E+000 /B 30000 4.387046173709890E+003 1.00000000E+000 /C 200 -2.049894339982032E-003 1.00000000E+000 /-DJ 1100 8.260347919560043E-002 1.00000000E+000 /-DJK 2000 -2.755484256907110E+000 1.00000000E+000 /-DK 40100 -4.206203804360494E-004 1.00000000E+000 /d1 50000 -2.843523759924080E-005 1.00000000E+000 /d2 300 5.283404383416437E-009 1.00000000E+000 /HJ 1200 -2.652680377815733E-007 1.00000000E+000 /HJK 2100 -6.892902497741985E-006 1.00000000E+000 /HKJ 3000 3.838764219318636E-004 1.00000000E-037 /HK 40200 2.086344286454100E-009 1.00000000E+000 /h1 50100 3.593697114502849E-010 1.00000000E-037 /h2 60000 8.884019441878555E-011 1.00000000E-037 /h3 400 -2.230218102227837E-014 1.00000000E-037 /LJ 1300 1.534374245976476E-012 1.00000000E-037 /LJJK 2200 -6.905360421268783E-011 1.00000000E-037 /LJK 3100 1.244956591781227E-009 1.00000000E-037 /LKKJ 4000 -6.047122175030096E-008 1.00000000E-037 /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 80000 1.000000000000000E-025 1.00000000E-037 /p5 ! !////////////////////////////////////////////////////////////////////////////// ! ! 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= 1.03744 1.03744 ! Acrylonitrile CH2=CHC15N Wed Mar 04 18:00:42 2009 28 301 5 0 0.0000E+000 1.0000E+005 1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 4.965562596363141E+004 1.00000000E+000 /A 20000 4.819668303538972E+003 1.00000000E+000 /B 30000 4.387046173709890E+003 1.00000000E+000 /C 200 -2.049894339982032E-003 1.00000000E+000 /-DJ 1100 8.260347919560043E-002 1.00000000E+000 /-DJK 2000 -2.755484256907110E+000 1.00000000E+000 /-DK 40100 -4.206203804360494E-004 1.00000000E+000 /d1 50000 -2.843523759924080E-005 1.00000000E+000 /d2 300 5.283404383416437E-009 1.00000000E+000 /HJ 1200 -2.652680377815733E-007 1.00000000E+000 /HJK 2100 -6.892902497741985E-006 1.00000000E+000 /HKJ 3000 3.838764219318636E-004 1.00000000E-037 /HK 40200 2.086344286454100E-009 1.00000000E+000 /h1 50100 3.593697114502849E-010 1.00000000E-037 /h2 60000 8.884019441878555E-011 1.00000000E-037 /h3 400 -2.230218102227837E-014 1.00000000E-037 /LJ 1300 1.534374245976476E-012 1.00000000E-037 /LJJK 2200 -6.905360421268783E-011 1.00000000E-037 /LJK 3100 1.244956591781227E-009 1.00000000E-037 /LKKJ 4000 -6.047122175030096E-008 1.00000000E-037 /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 80000 1.000000000000000E-025 1.00000000E-037 /p5 ! !------------------------------------------------------------------------------