Oxiranecarbonitrile
 

# B3PW91/6-311+G(df,pd) prop scf=tight

C3H3NO oxiranecarbonitrile MP2/6-311+G(d,p)
       but with Demaison correction for CN bond length.

0 1
 C
 C,1,B1
 O,2,B2,1,A1
 H,1,B3,2,A2,3,D1,0
 H,2,B4,1,A3,3,D2,0
 H,2,B5,1,A4,3,D3,0
 C,1,B6,2,A5,3,D4,0
 N,7,B7,1,A6,3,D5,0
      Variables:
 B1=1.4746
 B2=1.4328
 B3=1.0860
 B4=1.0859
 B5=1.0859
 B6=1.4504
 B7=1.1566
 A1=59.0119
 A2=119.3811
 A3=118.4169
 A4=118.5986
 A5=119.8244
 A6=179.6245
 D1=103.1984
 D2=-103.9178
 D3=103.5087
 D4=-104.3976
 D5=175.6330