2-chloroacrylonitrile F1,F coupling Sat Nov 14 21:05:42 2015 21 93 2 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 34 1 0 , , , 1 ,,,,,,,,,,,,,, 10000 6.973281622310777E+003 1.00000000E+000 /A 20000 3.148160007861226E+003 1.00000000E+000 /B 30000 2.165956555344489E+003 1.00000000E+000 /C 200 -1.091030000000000E-003 1.00000000E-037 /-DJ 1100 3.523810000000001E-003 1.00000000E-037 /-DJK 2000 -1.659890000000000E-002 1.00000000E-037 /-DK 40100 -4.490380000000000E-004 1.00000000E-037 /-deltaJ 41000 -2.280600000000000E-003 1.00000000E-037 /-deltaK 300 2.530000000000000E-009 1.00000000E-037 /HJ 1200 3.090000000000000E-009 1.00000000E-037 /HJK 2100 -5.350000000000000E-008 1.00000000E-037 /HKJ 3000 1.597900000000000E-007 1.00000000E-037 /HK 40200 1.236000000000000E-009 1.00000000E-037 /hj 41100 9.050000000000002E-009 1.00000000E-037 /hjk 42000 9.620000000000001E-008 1.00000000E-037 /hk 110010000 -4.771399525765564E+001 1.00000000E+002 /ClXaa*3/2 110040000 -9.538809211376872E+000 1.00000000E+002 /ClX(b-c)/4 110610000 5.717277701633879E+001 1.00000000E+002 /ClXab 220010000 -4.591189206553572E+000 1.00000000E+002 /N:Xaa*3/2 220040000 -2.537799719748006E-001 1.00000000E+002 /N:X(b-c)/4 220610000 -2.610965123683472E+000 1.00000000E+002 /N:Xab