VINYL CYANIDE - 13CH2=CHCN A-reduction Mon Feb 14 19:14:07 2011 71 3304 11 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 1 2 0, 50, , , , , , , 0 ,,,, 10000 4.919520562303119E+004 1.00000000E+000 /A 20000 4.837625265503689E+003 1.00000000E+000 /B 30000 4.398197085089479E+003 1.00000000E+000 /C 200 -2.175183722370440E-003 1.00000000E+000 /-DJ 1100 8.693353465289734E-002 1.00000000E+000 /-DJK 2000 -2.695957756468733E+000 1.00000000E+000 /-DK 40100 -4.383886951223653E-004 1.00000000E+000 /-dJ 41000 -2.281199806458637E-002 1.00000000E+000 /-dK 300 6.199665730619494E-009 1.00000000E+000 /HJ 1200 -2.556681237005056E-008 1.00000000E+000 /HJK 2100 -7.802421064641818E-006 1.00000000E+000 /HKJ 3000 3.853209279042744E-004 1.00000000E+000 /HK 40200 2.252985180346736E-009 1.00000000E+000 /hJ 41100 1.268464548287118E-007 1.00000000E+000 /hJK 42000 3.476814436377911E-005 1.00000000E+000 /hK 400 -2.508043414840408E-014 1.00000000E+000 /LJ 1300 -8.449530565325712E-013 1.00000000E+000 /LJJK 2200 4.361825225296369E-010 1.00000000E+000 /LJK 3100 1.410294029770404E-010 1.00000000E+000 /LKKJ 4000 -6.293000229886169E-008 1.00000000E+000 /LK 40300 -1.071393890118838E-014 1.00000000E+000 /lJ 41200 -8.595274376137979E-013 1.00000000E+000 /lJK 42100 -1.220615654731408E-010 1.00000000E+000 /lKJ 43000 7.241967293882488E-009 1.00000000E+000 /lK 3200 -7.920204165338755E-014 1.00000000E+000 /PKJ 4100 -1.707583593551633E-013 1.00000000E+000 /PKKJ 5000 9.383066326062327E-012 1.00000000E+000 /PK 10011 4.858228276050800E+004 1.00000000E+000 /A 20011 4.856601582856260E+003 1.00000000E+000 /B 30011 4.406242251988655E+003 1.00000000E+000 /C 211 -2.198197060461732E-003 1.00000000E+000 /-DJ 1111 7.813547405450079E-002 1.00000000E+000 /-DJK 2011 -2.210397914549565E+000 1.00000000E+000 /-DK 40111 -4.488412296974504E-004 1.00000000E+000 /-dJ 41011 -2.584796983577361E-002 1.00000000E+000 /-dK 311 6.121028352989929E-009 1.00000000E+000 /HJ 1211 2.714537362010084E-008 1.00000000E+000 /HJK 2111 -1.249870475159581E-006 1.00000000E+000 /HKJ 3011 4.079258713052124E-005 1.00000000E+000 /HK 40211 2.261861864588648E-009 1.00000000E+000 /hJ 41111 1.819804566069865E-007 1.00000000E+000 /hJK 42011 3.688625302595753E-005 1.00000000E+000 /hK 411 -2.238102570684888E-014 1.00000000E+000 /LJ 1311 -1.560251206755625E-012 1.00000000E+000 /LJJK 2211 -8.950605664577190E-010 1.00000000E+000 /LJK 3111 -3.120044158509655E-009 1.00000000E+000 /LKKJ 4011 1.799523943993244E-007 1.00000000E+000 /LK 40311 -1.058060182121871E-014 1.00000000E+000 /lJ 41211 -4.176790942729370E-013 1.00000000E+000 /lJK 42111 -2.570927426401521E-010 1.00000000E+000 /lKJ 43011 -1.939360538540734E-008 1.00000000E+000 /lK 3211 2.302310111859044E-013 1.00000000E+000 /PKJ 4111 2.313648560509101E-012 1.00000000E+000 /PKKJ 5011 -1.056860518736413E-010 1.00000000E+000 /PK 11 6.790930993730043E+006 1.00000000E+003 /E_v11 600001 0.000000000000000E+000 1.00000000E-037 /Gc 600101 0.000000000000000E+000 1.00000000E-037 /GcJ 601001 0.000000000000000E+000 1.00000000E-037 /GcK 610001 -3.020000000000000E+001 1.00000000E-037 /Fab 610101 0.000000000000000E+000 1.00000000E-037 /FabJ 611001 0.000000000000000E+000 1.00000000E-037 /FabK 620001 0.000000000000000E+000 1.00000000E-037 /c3 1 0.000000000000000E+000 1.00000000E-037 /W 101 0.000000000000000E+000 1.00000000E-037 /WJ 1001 0.000000000000000E+000 1.00000000E-037 /WK 1101 0.000000000000000E+000 1.00000000E-037 /WJK 40001 0.000000000000000E+000 1.00000000E-037 /W+- 40101 0.000000000000000E+000 1.00000000E-037 /W+-J 41001 4.233343653478087E-002 1.00000000E+000 /W+-K 41101 -2.080000000000000E-008 1.00000000E-037 /W+-JK 42001 -2.068000000000000E-005 1.00000000E-037 /W+-KK ! !-------------------------------------------------------------------------------