37.Cl 2-chloroacrylonitrile F1,F coupling Sat Nov 14 20:54:55 2015 21 56 5 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 34 1 0 , , , 1 ,,,,,,,,,,,,,, 10000 6.909333742725713E+003 1.00000000E+002 /A 20000 3.081195720337767E+003 1.00000000E+002 /B 30000 2.128000446705043E+003 1.00000000E+002 /C 200 -1.072310000000000E-003 1.00000000E-037 /-DJ 1100 3.850700000000000E-003 1.00000000E-037 /-DJK 2000 -1.702260000000000E-002 1.00000000E-037 /-DK 40100 -4.403900000000000E-004 1.00000000E-037 /-deltaJ 41000 -2.118700000000000E-003 1.00000000E-037 /-deltaK 300 2.505000000000000E-009 1.00000000E-037 /HJ 1200 0.000000000000000E+000 1.00000000E-037 /HJK 2100 -4.547000000000000E-008 1.00000000E-037 /HKJ 3000 1.565000000000000E-007 1.00000000E-037 /HK 40200 1.240000000000000E-009 1.00000000E-037 /hj 41100 7.250000000000000E-009 1.00000000E-037 /hjk 42000 9.380000000000001E-008 1.00000000E-037 /hk 110010000 -3.991486931938744E+001 1.00000000E+002 /ClXaa*3/2 110040000 -7.127342263511087E+000 1.00000000E+002 /ClX(b-c)/4 110610000 4.470236725681299E+001 2.00000000E+002 /ClXab 220010000 -4.453647246086572E+000 1.00000000E+002 /N:Xaa*3/2 220040000 -2.758433478545965E-001 1.00000000E+002 /N:X(b-c)/4 220610000 -2.679000000000000E+000 1.00000000E-037 /N:Xab