Pyruvonitrile, v_18=1, A Fri Oct 27 13:42:04 2017 18 443 15 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 'a' 3 2 0, 15, , , , ,-1, ,3,,,, 'a' 1 1 0, 60, , , , , , ,3,,,, 10099 1.017533818045320E+004 1.00000000E+000 /A 20099 4.141811836858371E+003 1.00000000E+000 /B 30099 3.000756234827823E+003 1.00000000E+000 /C 299 -9.903178049383237E-005 1.00000000E+000 /-DJ 1199 -1.039096640255515E-002 1.00000000E+000 /-DJK 2099 4.938055135195333E-003 1.00000000E+000 /-DK 40199 8.976837900663300E-005 1.00000000E+000 /-dJ 41099 -7.812378915044103E-004 1.00000000E+000 /-dK 399 -5.177417197714112E-008 1.00000000E+000 /HJ 1299 -1.477422071441070E-006 1.00000000E+000 /HJK 2199 1.024460763411229E-006 1.00000000E+000 /HKJ 3099 -5.706179929506654E-008 1.00000000E+000 /HK 40299 -2.548595044432584E-008 1.00000000E+000 /hJ 41199 -1.068882411256676E-006 1.00000000E+000 /hJK 42099 -6.538489716005008E-006 1.00000000E+000 /hK 110010000 -6.431683023353105E+000 1.00000000E+000 / 1.5X.a 110040000 -2.344800000000000E-001 1.00000000E-037 /X(b-c)/4 110610000 -5.000000000000000E-001 1.00000000E-037 /chi.ab ! !----------------------------------------------------------------------- ! Legacy ! Pyruvonitrile, v_18=1, A Fri Oct 23 17:38:21 2009 33 443 15 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 'a' 3 2 0, 15, , , , ,-1, ,3,,,, 'a' 1 1 0, 60, , , , , , ,3,,,, 10000 1.017533818045320E+004 1.00000000E+000 /A -10011 1.017533818045320E+004 1.00000000E-037 /A 20000 4.141811836858371E+003 1.00000000E+000 /B -20011 4.141811836858371E+003 1.00000000E-037 /B 30000 3.000756234827823E+003 1.00000000E+000 /C -30011 3.000756234827823E+003 1.00000000E-037 /C 200 -9.903178049383237E-005 1.00000000E+000 /-DJ -211 -9.903178049383237E-005 1.00000000E-037 /-DJ 1100 -1.039096640255515E-002 1.00000000E+000 /-DJK -1111 -1.039096640255515E-002 1.00000000E-037 /-DJK 2000 4.938055135195333E-003 1.00000000E+000 /-DK -2011 4.938055135195333E-003 1.00000000E-037 /-DK 40100 8.976837900663300E-005 1.00000000E+000 /-dJ -40111 8.976837900663300E-005 1.00000000E-037 /-dJ 41000 -7.812378915044103E-004 1.00000000E+000 /-dK -41011 -7.812378915044103E-004 1.00000000E-037 /-dK 300 -5.177417197714112E-008 1.00000000E+000 /HJ -311 -5.177417197714112E-008 1.00000000E-037 /HJ 1200 -1.477422071441070E-006 1.00000000E+000 /HJK -1211 -1.477422071441070E-006 1.00000000E-037 /HJK 2100 1.024460763411229E-006 1.00000000E+000 /HKJ -2111 1.024460763411229E-006 1.00000000E-037 /HKJ 3000 -5.706179929506654E-008 1.00000000E+000 /HK -3011 -5.706179929506654E-008 1.00000000E-037 /HK 40200 -2.548595044432584E-008 1.00000000E+000 /hJ -40211 -2.548595044432584E-008 1.00000000E-037 /hJ 41100 -1.068882411256676E-006 1.00000000E+000 /hJK -41111 -1.068882411256676E-006 1.00000000E-037 /hJK 42000 -6.538489716005008E-006 1.00000000E+000 /hK -42011 -6.538489716005008E-006 1.00000000E-037 /hK 110010000 -6.431683023353105E+000 1.00000000E+000 / 1.5X.a 110040000 -2.344800000000000E-001 1.00000000E-037 /X(b-c)/4 110610000 -5.000000000000000E-001 1.00000000E-037 /chi.ab ! !-----------------------------------------------------------------------