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2-Cyanonaphthalene.
B3P86/6-31G(3d,3p)
optimized structure
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
H,3,B6,2,A5,1,D4,0
H,2,B7,1,A6,6,D5,0
C,3,B8,2,A7,1,D6,0
C,4,B9,3,A8,2,D7,0
H,5,B10,4,A9,3,D8,0
H,6,B11,5,A10,4,D9,0
C,10,B12,4,A11,3,D10,0
C,9,B13,3,A12,2,D11,0
H,10,B14,4,A13,3,D12,0
H,13,B15,10,A14,4,D13,0
H,14,B16,9,A15,3,D14,0
C,1,B17,2,A16,3,D15,0
N,18,B18,2,A17,1,D16,0
Variables:
B1=1.37960218
B2=1.41088824
B3=1.42663204
B4=1.41634583
B5=1.36732329
B6=2.16001238
B7=1.08469582
B8=1.41576419
B9=1.41397552
B10=1.08537112
B11=1.08353738
B12=1.37170774
B13=1.37073571
B14=1.08559536
B15=1.08476299
B16=1.08461148
B17=1.42791583
B18=1.15845033
A1=120.57090218
A2=119.0683355
A3=118.97482196
A4=121.14001374
A5=95.67937947
A6=119.86725729
A7=121.79502927
A8=118.86669183
A9=118.8225267
A10=121.03784563
A11=120.65306874
A12=120.56401156
A13=118.84130347
A14=119.99892326
A15=120.08556525
A16=120.03253234
A17=150.869727
D1=0.
D2=0.
D3=0.
D4=180.
D5=180.
D6=180.
D7=180.
D8=180.
D9=180.
D10=0.
D11=180.
D12=180.
D13=180.
D14=180.
D15=180.
D16=180
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