Acrylonitrile CH2=13CHCN Thu Sep 22 14:25:37 2011 27 516 5 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 4.863964329183212E+004 1.00000000E+020 /A 20000 4.948979919186103E+003 1.00000000E+020 /B 30000 4.485382999663654E+003 1.00000000E+020 /C 200 -2.119676447846416E-003 1.00000000E+020 /-DJ 1100 7.991863705981754E-002 1.00000000E+020 /-DJK 2000 -2.591173057704659E+000 1.00000000E+020 /-DK 40100 -4.529096291433051E-004 1.00000000E+020 /d1 50000 -3.178333316369915E-005 1.00000000E+020 /d2 300 5.494116571022495E-009 1.00000000E+020 /HJ 1200 -2.612593329313503E-007 1.00000000E+020 /HJK 2100 -6.834104711288148E-006 1.00000000E+020 /HKJ 3000 3.661491693646222E-004 1.00000000E+020 /HK 40200 2.241675755798425E-009 1.00000000E+020 /h1 50100 3.380255162557147E-010 1.00000000E+020 /h2 60000 7.005616007036817E-011 1.00000000E+020 /h3 400 -2.230218102227837E-014 1.00000000E-035 /LJ 1300 1.095257108678858E-012 1.00000000E+020 /LJJK 2200 -5.409585695512607E-011 1.00000000E+020 /LJK 3100 1.274266729054669E-009 1.00000000E+020 /LKKJ 4000 -5.828350659028633E-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 5000 6.288597296779450E-012 1.00000000E-037 /PK