pyruvonitrile: ground state, A-sublevel Fri Oct 27 12:39:17 2017 18 693 25 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 'a' 3 2 0, 15, , , , ,-1, ,,,,, 'a' 1 1 0, 60, , , , , , ,,,,, 10099 1.018586597502982E+004 1.00000000E+000 /A 20099 4.157707169174283E+003 1.00000000E+000 /B 30099 3.002760177404478E+003 1.00000000E+000 /C 299 -8.367346058530846E-004 1.00000000E+000 /-DJ 1199 -1.802135556448996E-002 1.00000000E+000 /-DJK 2099 6.665418554323429E-003 1.00000000E+000 /-DK 40199 -2.764392493944259E-004 1.00000000E+000 /-dJ 41099 -1.068128789208958E-002 1.00000000E+000 /-dK 399 1.770763878283300E-009 1.00000000E+000 /HJ 1299 2.217818700643205E-007 1.00000000E+000 /HJK 2199 -3.981711363586673E-007 1.00000000E+000 /HKJ 3099 2.759421353211020E-007 1.00000000E+000 /HK 40299 8.983969943984438E-010 1.00000000E+000 /hJ 41199 1.227437791576434E-007 1.00000000E+000 /hJK 42099 6.295785665196518E-007 1.00000000E+000 /hK 110010000 -6.857485027680137E+000 1.00000000E+000 / 1.5X.a 110040000 -2.344658326703280E-001 1.00000000E+000 /X(b-c)/4 110610000 -5.200000000000000E-001 1.00000000E-037 /chi.ab ! !----------------------------------------------------------------------- ! Legacy ! pyruvonitrile: ground state, A-sublevel Wed Nov 04 10:52:21 2009 33 693 25 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 'a' 3 2 0, 15, , , , ,-1, ,,,,, 'a' 1 1 0, 60, , , , , , ,,,,, 10000 1.018586597502982E+004 1.00000000E+000 /A -10011 1.018586597502982E+004 1.00000000E-037 /A 20000 4.157707169174283E+003 1.00000000E+000 /B -20011 4.157707169174283E+003 1.00000000E-037 /B 30000 3.002760177404478E+003 1.00000000E+000 /C -30011 3.002760177404478E+003 1.00000000E-037 /C 200 -8.367346058530846E-004 1.00000000E+000 /-DJ -211 -8.367346058530846E-004 1.00000000E-037 /-DJ 1100 -1.802135556448996E-002 1.00000000E+000 /-DJK -1111 -1.802135556448996E-002 1.00000000E-037 /-DJK 2000 6.665418554323429E-003 1.00000000E+000 /-DK -2011 6.665418554323429E-003 1.00000000E-037 /-DK 40100 -2.764392493944259E-004 1.00000000E+000 /-dJ -40111 -2.764392493944259E-004 1.00000000E-037 /-dJ 41000 -1.068128789208958E-002 1.00000000E+000 /-dK -41011 -1.068128789208958E-002 1.00000000E-037 /-dK 300 1.770763878283300E-009 1.00000000E+000 /HJ -311 1.770763878283300E-009 1.00000000E-037 /HJ 1200 2.217818700643205E-007 1.00000000E+000 /HJK -1211 2.217818700643205E-007 1.00000000E-037 /HJK 2100 -3.981711363586673E-007 1.00000000E+000 /HKJ -2111 -3.981711363586673E-007 1.00000000E-037 /HKJ 3000 2.759421353211020E-007 1.00000000E+000 /HK -3011 2.759421353211020E-007 1.00000000E-037 /HK 40200 8.983969943984438E-010 1.00000000E+000 /hJ -40211 8.983969943984438E-010 1.00000000E-037 /hJ 41100 1.227437791576434E-007 1.00000000E+000 /hJK -41111 1.227437791576434E-007 1.00000000E-037 /hJK 42000 6.295785665196517E-007 1.00000000E+000 /hK -42011 6.295785665196517E-007 1.00000000E-037 /hK 110010000 -6.857485027680137E+000 1.00000000E+000 / 1.5X.a 110040000 -2.344658326703280E-001 1.00000000E+000 /X(b-c)/4 110610000 -5.200000000000000E-001 1.00000000E-037 /chi.ab ! !-----------------------------------------------------------------------