1-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,1,B7,2,A6,3,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,2,B17,1,A16,6,D15,0
 N,18,B18,1,A17,2,D16,0
      Variables:
 B1=1.38090904
 B2=1.42747963
 B3=1.42489074
 B4=1.41477761
 B5=1.37190687
 B6=2.15791982
 B7=1.08362122
 B8=1.41249932
 B9=1.41503893
 B10=1.08566993
 B11=1.0840713
 B12=1.37085584
 B13=1.37180901
 B14=1.08548368
 B15=1.08461279
 B16=1.08465459
 B17=1.42715262
 B18=1.15882492
 A1=120.87665283
 A2=118.16249418
 A3=119.34736773
 A4=121.10894718
 A5=96.47672414
 A6=119.41330435
 A7=122.58305849
 A8=118.86350816
 A9=118.57350609
 A10=120.3979464
 A11=120.70258832
 A12=120.36898677
 A13=118.67973073
 A14=120.17240555
 A15=119.81784589
 A16=119.50731274
 A17=150.6000001
 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.



 


 


  1_CNN_zm.html

  Last modified: 26 May 2019