4-Cl-Benzonitrile B3P86/6-31G(3d,3p) str
0 1
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
C,5,B5,4,A4,3,D3,0
C,1,B6,6,A5,5,D4,0
N,7,B7,1,A6,3,D5,0
H,2,B8,1,A7,6,D6,0
H,3,B9,2,A8,1,D7,0
Cl,4,B10,3,A9,2,D8,0
H,5,B11,4,A10,3,D9,0
H,6,B12,5,A11,4,D10,0
Variables:
B1=1.39868452
B2=1.38528982
B3=1.39122223
B4=1.39122223
B5=1.38528982
B6=1.42764829
B7=1.15817286
B8=1.08360901
B9=1.08297837
B10=1.72845112
B11=1.08297837
B12=1.08360901
A1=120.13730374
A2=119.2902512
A3=121.26463304
A4=119.2902512
A5=120.05987145
A6=180.
A7=119.67328989
A8=120.7736091
A9=119.36768348
A10=119.9361397
A11=120.18940637
D1=0.
D2=0.
D3=0.
D4=180.
D5=0.
D6=180.
D7=180.
D8=180.
D9=180.
D10=180.
