structure. Approximate equilibrium C-C and CN
bond lengths are given in parentheses.
C
C,1,B1
C,2,B2,1,A1
C,1,B3,2,A2,3,D1,0
H,1,B4,2,A3,3,D2,0
H,1,B5,2,A4,3,D3,0
H,2,B6,1,A5,4,D4,0
H,2,B7,1,A6,4,D5,0
H,3,B8,2,A7,1,D6,0
H,3,B9,2,A8,1,D7,0
H,4,B10,1,A9,2,D8,0
C,4,B11,1,A10,2,D9,0
N,12,B12,1,A11,2,D10,0
Variables:
B1=1.54333575
B2=1.54333575
B3=1.55504825
B4=1.08667424
B5=1.08858959
B6=1.08851782
B7=1.08665124
B8=1.08667424
B9=1.08858959
B10=1.08807793
B11=1.45390118 (1.455052)
B12=1.17106992 (1.157231)
A1=88.14331709
A2=88.21409308
A3=118.86995216
A4=111.29882
A5=110.77740219
A6=118.03350012
A7=118.86995216
A8=111.29882
A9=117.55930669
A10=111.74680932
A11=143.65960762
D1=21.39333753
D2=141.95012529
D3=-88.69269508
D4=-90.15666918
D5=142.42280306
D6=-141.95012529
D7=88.69269508
D8=-141.10133156
D9=91.13350831
D10=90.23918884
