pyruvonitrile: ground state, E-sublevel Fri Oct 27 12:46:00 2017 28 767 20 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 1.018513561026288E+004 1.00000000E+000 /A 20099 4.157371759664702E+003 1.00000000E+000 /B 30099 3.002763908532182E+003 1.00000000E+000 /C 299 -8.069298532553474E-004 1.00000000E+000 /-DJ 1199 -1.770097987414755E-002 1.00000000E+000 /-DJK 2099 6.646537560005483E-003 1.00000000E+000 /-DK 40199 -2.613962079413081E-004 1.00000000E+000 /-dJ 41099 -1.030320439963751E-002 1.00000000E+000 /-dK 399 -1.335948480743899E-010 1.00000000E+000 /HJ 1299 1.565094222487012E-007 1.00000000E+000 /HJK 2199 -3.590043475217833E-007 1.00000000E+000 /HKJ 3099 2.410365118134963E-007 1.00000000E+000 /HK 40299 -7.881891657501524E-011 1.00000000E+000 /hJ 41199 7.903469342823310E-008 1.00000000E+000 /hJK 42099 3.555881019902356E-007 1.00000000E+000 /hK 200099 -1.189101312108975E+001 1.00000000E+000 /Da 200199 7.399717211695385E-003 1.00000000E+000 /DaJ 201099 2.903829852423643E-003 1.00000000E+000 /DaK 200299 -7.461651224678896E-007 1.00000000E+000 /DaJJ 201199 -5.033383007499787E-006 1.00000000E+000 /DaJK 202099 2.621397129739436E-006 1.00000000E+000 /DaKK 201299 6.564953338759394E-010 1.00000000E+003 /DaJJK 400099 7.851969059763681E+000 1.00000000E+000 /Db 400199 1.000000000000000E-025 1.00000000E-037 /DbJ 401099 1.000000000000000E-025 1.00000000E-037 /DbK 110010000 -6.854838965823285E+000 1.00000000E+000 /1.5X.a 110040000 -2.350343552978067E-001 1.00000000E+000 /X(b-c)/4 110610000 -5.200000000000000E-001 1.00000000E-037 /chi.ab ! !----------------------------------------------------------------------- ! Legacy ! pyruvonitrile: ground state, E-sublevel Wed Nov 04 10:36:25 2009 53 767 20 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 1.018513561026288E+004 1.00000000E+000 /A -10011 1.018513561026288E+004 1.00000000E-037 /A 20000 4.157371759664702E+003 1.00000000E+000 /B -20011 4.157371759664702E+003 1.00000000E-037 /B 30000 3.002763908532182E+003 1.00000000E+000 /C -30011 3.002763908532182E+003 1.00000000E-037 /C 200 -8.069298532553474E-004 1.00000000E+000 /-DJ -211 -8.069298532553474E-004 1.00000000E-037 /-DJ 1100 -1.770097987414755E-002 1.00000000E+000 /-DJK -1111 -1.770097987414755E-002 1.00000000E-037 /-DJK 2000 6.646537560005483E-003 1.00000000E+000 /-DK -2011 6.646537560005483E-003 1.00000000E-037 /-DK 40100 -2.613962079413081E-004 1.00000000E+000 /-dJ -40111 -2.613962079413081E-004 1.00000000E-037 /-dJ 41000 -1.030320439963751E-002 1.00000000E+000 /-dK -41011 -1.030320439963751E-002 1.00000000E-037 /-dK 300 -1.335948480743899E-010 1.00000000E+000 /HJ -311 -1.335948480743899E-010 1.00000000E-037 /HJ 1200 1.565094222487012E-007 1.00000000E+000 /HJK -1211 1.565094222487012E-007 1.00000000E-037 /HJK 2100 -3.590043475217833E-007 1.00000000E+000 /HKJ -2111 -3.590043475217833E-007 1.00000000E-037 /HKJ 3000 2.410365118134963E-007 1.00000000E+000 /HK -3011 2.410365118134963E-007 1.00000000E-037 /HK 40200 -7.881891657501524E-011 1.00000000E+000 /hJ -40211 -7.881891657501524E-011 1.00000000E-037 /hJ 41100 7.903469342823310E-008 1.00000000E+000 /hJK -41111 7.903469342823310E-008 1.00000000E-037 /hJK 42000 3.555881019902356E-007 1.00000000E+000 /hK -42011 3.555881019902356E-007 1.00000000E-037 /hK 200000 -1.189101312108975E+001 1.00000000E+000 /Da -200011 -1.189101312108975E+001 1.00000000E-037 /Da 200100 7.399717211695385E-003 1.00000000E+000 /DaJ -200111 7.399717211695385E-003 1.00000000E-037 /DaJ 201000 2.903829852423643E-003 1.00000000E+000 /DaK -201011 2.903829852423643E-003 1.00000000E-037 /DaK 200200 -7.461651224678896E-007 1.00000000E+000 /DaJJ -200211 -7.461651224678896E-007 1.00000000E-037 /DaJJ 201100 -5.033383007499787E-006 1.00000000E+000 /DaJK -201111 -5.033383007499787E-006 1.00000000E-037 /DaJK 202000 2.621397129739436E-006 1.00000000E+000 /DaKK -202011 2.621397129739436E-006 1.00000000E-037 /DaKK 201200 6.564953338759394E-010 1.00000000E+003 /DaJJK -201211 6.564953338759394E-010 1.00000000E-037 /DaJJK 400000 7.851969059763681E+000 1.00000000E+000 /Db -400011 7.851969059763681E+000 1.00000000E-037 /Db 400100 1.000000000000000E-025 1.00000000E-037 /DbJ -400111 1.000000000000000E-025 1.00000000E-037 /DbJ 401000 1.000000000000000E-025 1.00000000E-037 /DbK -401011 1.000000000000000E-025 1.00000000E-037 /DbK 110010000 -6.854838965823285E+000 1.00000000E+000 /1.5X.a 110040000 -2.350343552978067E-001 1.00000000E+000 /X(b-c)/4 110610000 -5.200000000000000E-001 1.00000000E-037 /chi.ab