VINYL CYANIDE 0 = 2nu15 1 = nu14 2 = 3nu11 Thu Apr 03 15:19:01 2014 126 4203 11 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 1 3 0, 50 , , , , , , , 3 ,,,, 10000 5.186433564269102E+004 1.00000000E+001 /A 20000 4.977665135366417E+003 1.00000000E+000 /B 30000 4.532015785928285E+003 1.00000000E+000 /C 200 -2.236128014524570E-003 1.00000000E+000 /-DJ 1100 1.017245108990870E-001 1.00000000E+000 /-DJK 2000 -4.021387176780994E+000 1.00000000E+000 /-DK 40100 -4.488368500048135E-004 1.00000000E+000 /-dJ 41000 -2.647783202939848E-002 1.00000000E+000 /-dK 300 6.223384552741027E-009 1.00000000E+000 /HJ 1200 1.288349524712417E-007 1.00000000E+000 /HJK 2100 -2.521281642495390E-005 1.00000000E+000 /HKJ 3000 1.391825355912505E-003 1.00000000E+000 /HK 40200 2.183847629217210E-009 1.00000000E+000 /hJ 41100 1.261628174875836E-007 1.00000000E+000 /hJK 42000 6.618922999006088E-005 1.00000000E+000 /hK 400 0.000000000000000E+000 1.00000000E-037 /LJ 1300 0.000000000000000E+000 1.00000000E-037 /LJJK 2200 0.000000000000000E+000 1.00000000E-037 /LJK 3100 9.071723414330449E-009 1.00000000E+000 /LKKJ 4000 -6.588456683973174E-007 1.00000000E+000 /LK 40300 0.000000000000000E+000 1.00000000E-037 /lJ 41200 0.000000000000000E+000 1.00000000E-037 /lJK 42100 0.000000000000000E+000 1.00000000E-037 /lKJ 43000 1.625412301382269E-008 1.00000000E+000 /lK 3200 0.000000000000000E+000 1.00000000E-037 /PKJ 4100 0.000000000000000E+000 1.00000000E-037 /PKKJ 5000 0.000000000000000E+000 1.00000000E-037 /PK 10011 5.034487177631974E+004 1.00000000E+001 /A 20011 4.974539733106852E+003 1.00000000E+000 /B 30011 4.519084502833111E+003 1.00000000E+000 /C 211 -2.265429697848048E-003 1.00000000E+000 /-DJ 1111 8.153131839883453E-002 1.00000000E+000 /-DJK 2011 -2.752530104774895E+000 1.00000000E+000 /-DK 40111 -4.599104555443920E-004 1.00000000E+000 /-dJ 41011 -2.712591095672927E-002 1.00000000E+000 /-dK 311 6.096643953303504E-009 1.00000000E+000 /HJ 1211 6.328326846757356E-008 1.00000000E+000 /HJK 2111 -7.034280155500856E-006 1.00000000E+000 /HKJ 3011 3.957851400929484E-004 1.00000000E+000 /HK 40211 2.217734085369566E-009 1.00000000E+000 /hJ 41111 8.831414425933637E-008 1.00000000E+000 /hJK 42011 4.286543642168273E-005 1.00000000E+000 /hK 411 0.000000000000000E+000 1.00000000E-037 /LJ 1311 0.000000000000000E+000 1.00000000E-037 /LJJK 2211 0.000000000000000E+000 1.00000000E-037 /LJK 3111 3.624198441823669E-009 1.00000000E+000 /LKKJ 4011 -7.766753050872306E-008 1.00000000E+000 /LK 40311 0.000000000000000E+000 1.00000000E-037 /lJ 41211 0.000000000000000E+000 1.00000000E-037 /lJK 42111 0.000000000000000E+000 1.00000000E-037 /lKJ 43011 8.023424791970450E-009 1.00000000E+000 /lK 3211 0.000000000000000E+000 1.00000000E-037 /PKJ 4111 0.000000000000000E+000 1.00000000E-037 /PKKJ 5011 0.000000000000000E+000 1.00000000E-037 /PK 10022 4.799032942396206E+004 1.00000000E+001 /A 20022 5.028927662650899E+003 1.00000000E+000 /B 30022 4.537692050633923E+003 1.00000000E+000 /C 222 -2.315401768101185E-003 1.00000000E+000 /-DJ 1122 6.213139445652254E-002 1.00000000E+000 /-DJK 2022 -1.416570828341337E+000 1.00000000E+000 /-DK 40122 -4.873065843493427E-004 1.00000000E+000 /-dJ 41022 -3.264241644336038E-002 1.00000000E+000 /-dK 322 6.247568864680040E-009 1.00000000E+000 /HJ 1222 9.365960427111369E-008 1.00000000E+000 /HJK 2122 4.736325637722708E-006 1.00000000E+000 /HKJ 3022 -3.169805930344229E-004 1.00000000E+000 /HK 40222 2.359272260246256E-009 1.00000000E+000 /hJ 41122 2.518384825445736E-007 1.00000000E+000 /hJK 42022 2.714640599046637E-005 1.00000000E+000 /hK 422 0.000000000000000E+000 1.00000000E-037 /LJ 1322 0.000000000000000E+000 1.00000000E-037 /LJJK 2222 0.000000000000000E+000 1.00000000E-037 /LJK 3122 3.638443278282901E-009 1.00000000E+000 /LKKJ 4022 1.612368840497497E-007 1.00000000E+000 /LK 40322 0.000000000000000E+000 1.00000000E-037 /lJ 41222 0.000000000000000E+000 1.00000000E-037 /lJK 42122 9.883584822534829E-010 1.00000000E+000 /lKJ 43022 -2.543148775072286E-008 1.00000000E+000 /lK 3222 0.000000000000000E+000 1.00000000E-037 /PKJ 4122 0.000000000000000E+000 1.00000000E-037 /PKKJ 5022 0.000000000000000E+000 1.00000000E-037 /PK 11 5.491633380400899E+005 1.00000000E+004 /DE(nu14) 200001 5.852210052067198E+003 1.00000000E+004 /Ga 200101 1.958122044326658E-002 1.00000000E+000 /GaJ 201001 -2.790215445152175E+000 1.00000000E+001 /GaK 200201 -3.232933832340550E-007 1.00000000E+001 /GaJJ 201101 -3.354669721094803E-005 1.00000000E+001 /GaJK 202001 1.502871222492774E-003 1.00000000E+001 /GaKK 210001 0.000000000000000E+000 1.00000000E-037 /Fbc 210101 0.000000000000000E+000 1.00000000E-037 /FbcJ 211001 0.000000000000000E+000 1.00000000E-037 /FbcK 400001 -9.496878196930474E+000 1.00000000E+002 /Gb 400101 0.000000000000000E+000 1.00000000E-037 /GbJ 401001 -4.173276289615753E-001 1.00000000E+000 /GbK 410001 0.000000000000000E+000 1.00000000E-037 /Fac 410101 0.000000000000000E+000 1.00000000E-037 /FacJ 411001 0.000000000000000E+000 1.00000000E-037 /FacK 22 6.944436612209494E+005 1.00000000E+004 /DE(3nu11) 200012 2.236270213019485E+002 1.00000000E+003 /Ga 200112 0.000000000000000E+000 1.00000000E-037 /GaJ 201012 -1.702984093477181E-001 1.00000000E+000 /GaK 210012 4.556870684736826E-001 1.00000000E+000 /Fbc 210112 0.000000000000000E+000 1.00000000E-037 /FbcJ 211012 0.000000000000000E+000 1.00000000E-037 /FbcK 400012 1.818038486373443E+001 1.00000000E+004 /Gb 400112 0.000000000000000E+000 1.00000000E-037 /GbJ 401012 0.000000000000000E+000 1.00000000E-037 /GbK 410012 0.000000000000000E+000 1.00000000E-037 /Fac 410112 0.000000000000000E+000 1.00000000E-037 /FacJ 411012 0.000000000000000E+000 1.00000000E-037 /FacK 600002 2.573801241144581E+001 1.00000000E+002 /Gc 600102 0.000000000000000E+000 1.00000000E-037 /GcJ 601002 0.000000000000000E+000 1.00000000E-037 /GcK 610002 3.590219127070817E+000 1.00000000E+000 /Fab 610102 0.000000000000000E+000 1.00000000E-037 /FabJ 611002 0.000000000000000E+000 1.00000000E-037 /FabK 2 1.417918440239817E+004 1.00000000E+002 /W 102 0.000000000000000E+000 1.00000000E-037 /WJ 1002 0.000000000000000E+000 1.00000000E-037 /WK 1102 0.000000000000000E+000 1.00000000E-037 /WJK 40002 8.521124498026675E-001 1.00000000E+000 /W+- 40102 5.399330953769687E-006 1.00000000E+000 /W+-J 41002 8.469446957998185E-003 1.00000000E+000 /W+-K 41102 -6.998346692993005E-007 1.00000000E+000 /W+-JK 42002 5.231877878490792E-006 1.00000000E+000 /W+-KK 43002 0.000000000000000E+000 1.00000000E-037 /W+-KKK ! !------------------------------------------------------------------------------