4-cycnocyclopentene. Approximate equilibrium
C-CN bond lengths are shown in parentheses.
C
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
C,4,B4,3,A3,2,D2,0
H,1,B5,2,A4,3,D3,0
H,2,B6,1,A5,5,D4,0
H,2,B7,1,A6,5,D5,0
H,3,B8,2,A7,1,D6,0
H,4,B9,3,A8,2,D7,0
H,5,B10,4,A9,3,D8,0
H,5,B11,4,A10,3,D9,0
C,1,B12,2,A11,3,D10,0
N,13,B13,5,A12,4,D11,0
Variables:
B1=1.55038028
B2=1.51096181
B3=1.34479106
B4=1.51096181
B5=1.09605589
B6=1.09819285
B7=1.09397396
B8=1.08578267
B9=1.08578267
B10=1.09819285
B11=1.09397396
B12=1.46113955 (1.4573)
B13=1.17619988 (1.1569)
A1=101.74999597
A2=111.66625396
A3=111.66625396
A4=108.00471776
A5=110.88489503
A6=111.73093486
A7=123.19669964
A8=125.07085106
A9=110.79604654
A10=114.01158217
A11=113.64072677
A12=145.32859937
D1=-17.30421892
D2=0.
D3=-88.05795234
D4=-90.85664504
D5=149.04385539
D6=165.52092385
D7=-177.11144976
D8=-100.63228837
D9=137.74562652
D10=151.82008945
D11=-142.28113924
4-cycnocyclopentene.
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
C,4,B4,3,A3,2,D2,0
H,2,B5,1,A4,5,D3,0
H,2,B6,1,A5,5,D4,0
H,3,B7,2,A6,1,D5,0
H,4,B8,3,A7,2,D6,0
H,5,B9,4,A8,3,D7,0
H,5,B10,4,A9,3,D8,0
H,1,B11,5,A10,4,D9,0
C,1,B12,5,A11,4,D10,0
N,13,B13,5,A12,4,D11,0
Variables:
B1=1.55344109
B2=1.51131835
B3=1.34397216
B4=1.51131835
B5=1.09830175
B6=1.09373161
B7=1.08553896
B8=1.08553896
B9=1.09830175
B10=1.09373161
B11=1.09397614
B12=1.46662643 (1.4624)
B13=1.17604881 (1.1568)
A1=102.49152791
A2=111.64089274
A3=111.64089274
A4=109.99993353
A5=112.12346974
A6=123.17243619
A7=125.13177848
A8=110.69550646
A9=113.75828187
A10=112.06542798
A11=110.02773609
A12=143.89252527
D1=-16.27720347
D2=0.
D3=-92.54015543
D4=147.60232903
D5=166.29396361
D6=-177.36843785
D7=-100.99180716
D8=137.54035467
D9=-146.87363816
D10=92.93111625
D11=85.45303619
