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



 


 


  2_CNN_zm.html

  Last modified: 26 May 2019