Acrylonitrile CH2=CH13CN Tue Mar 03 18:21:13 2009 27 474 5 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 4.979958944798664E+004 1.00000000E+020 /A 20000 4.948364841173453E+003 1.00000000E+020 /B 30000 4.494654837037851E+003 1.00000000E+020 /C 200 -2.160886851240552E-003 1.00000000E+020 /-DJ 1100 8.549198064012023E-002 1.00000000E+020 /-DJK 2000 -2.748039618982053E+000 1.00000000E+020 /-DK 40100 -4.513773676030445E-004 1.00000000E+020 /d1 50000 -3.012410012570408E-005 1.00000000E+020 /d2 300 5.628184835689331E-009 1.00000000E+020 /HJ 1200 -2.923368161379103E-007 1.00000000E+020 /HJK 2100 -6.777459478710277E-006 1.00000000E+020 /HKJ 3000 3.842368803683936E-004 1.00000000E+020 /HK 40200 2.233142763494503E-009 1.00000000E+020 /h1 50100 3.608466602044135E-010 1.00000000E+020 /h2 60000 9.893630101937822E-011 1.00000000E+020 /h3 400 -2.230218102227837E-014 1.00000000E-035 /LJ 1300 1.886334427540581E-012 1.00000000E+020 /LJJK 2200 -7.252161550132294E-011 1.00000000E+020 /LJK 3100 1.188079839919219E-009 1.00000000E+020 /LKKJ 4000 -5.742593865153951E-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= 1.10265 1.10265 ! Acrylonitrile CH2=CH13CN Tue Mar 03 18:21:13 2009 27 474 5 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 4.979958944798664E+004 1.00000000E+020 /A 20000 4.948364841173453E+003 1.00000000E+020 /B 30000 4.494654837037851E+003 1.00000000E+020 /C 200 -2.160886851240552E-003 1.00000000E+020 /-DJ 1100 8.549198064012023E-002 1.00000000E+020 /-DJK 2000 -2.748039618982053E+000 1.00000000E+020 /-DK 40100 -4.513773676030445E-004 1.00000000E+020 /d1 50000 -3.012410012570408E-005 1.00000000E+020 /d2 300 5.628184835689331E-009 1.00000000E+020 /HJ 1200 -2.923368161379103E-007 1.00000000E+020 /HJK 2100 -6.777459478710277E-006 1.00000000E+020 /HKJ 3000 3.842368803683936E-004 1.00000000E+020 /HK 40200 2.233142763494503E-009 1.00000000E+020 /h1 50100 3.608466602044135E-010 1.00000000E+020 /h2 60000 9.893630101937822E-011 1.00000000E+020 /h3 400 -2.230218102227837E-014 1.00000000E-035 /LJ 1300 1.886334427540581E-012 1.00000000E+020 /LJJK 2200 -7.252161550132294E-011 1.00000000E+020 /LJK 3100 1.188079839919219E-009 1.00000000E+020 /LKKJ 4000 -5.742593865153951E-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 ! !------------------------------------------------------------------------------