Acrylonitrile CH2=13CHC15N Mon Feb 14 19:30:30 2011 27 278 5 0 0.0000E+000 3.0000E+005 1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 4.844924822322094E+004 1.00000000E+000 /A 20000 4.796600583523156E+003 1.00000000E+000 /B 30000 4.358247761283618E+003 1.00000000E+000 /C 200 -1.990757458555959E-003 1.00000000E+000 /-DJ 1100 7.752417984174509E-002 1.00000000E+000 /-DJK 2000 -2.602594680123435E+000 1.00000000E+000 /-DK 40100 -4.176889407020892E-004 1.00000000E+000 /d1 50000 -2.937493520435979E-005 1.00000000E+000 /d2 300 5.159155853350331E-009 1.00000000E+000 /HJ 1200 -2.404298830129698E-007 1.00000000E+000 /HJK 2100 -6.594926586057773E-006 1.00000000E+000 /HKJ 3000 3.839910000000000E-004 1.00000000E-037 /HK 40200 2.090816506384582E-009 1.00000000E+000 /h1 50100 3.591100000000000E-010 1.00000000E-037 /h2 60000 8.888000000000010E-011 1.00000000E-037 /h3 400 -2.237300000000000E-014 1.00000000E-037 /LJ 1300 1.540100000000000E-012 1.00000000E-037 /LJJK 2200 -6.814000000000004E-011 1.00000000E-037 /LJK 3100 1.234700000000000E-009 1.00000000E-037 /LKKJ 4000 -6.078000000000007E-008 1.00000000E-037 /LK 40300 -1.077800000000000E-014 1.00000000E-037 /l1 50200 -2.446000000000000E-015 1.00000000E-037 /l2 60100 -1.281000000000000E-015 1.00000000E-037 /l3 70000 -2.406000000000001E-016 1.00000000E-037 /l4 3200 -1.284400000000000E-013 1.00000000E-037 /PKJ 4100 -7.960000000000002E-014 1.00000000E-037 /PKKJ 5000 6.610000000000000E-012 1.00000000E-037 /PK ! !-----------------------------------------------------------------------