9-Cyanophenanthrene.  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
 C,3,B6,2,A5,1,D4,0
 C,4,B7,3,A6,2,D5,0
 C,8,B8,4,A7,3,D6,0
 C,7,B9,3,A8,2,D7,0
 C,9,B10,8,A9,4,D8,0
 H,11,B11,9,A10,8,D9,0
 C,11,B12,9,A11,8,D10,0
 C,13,B13,11,A12,9,D11,0
 C,14,B14,13,A13,11,D12,0
 H,7,B15,3,A14,2,D13,0
 H,1,B16,2,A15,3,D14,0
 H,2,B17,1,A16,6,D15,0
 H,5,B18,4,A17,3,D16,0
 H,6,B19,5,A18,4,D17,0
 H,13,B20,11,A19,9,D18,0
 H,14,B21,13,A20,11,D19,0
 H,15,B22,14,A21,13,D20,0
 C,10,B23,7,A22,3,D21,0
 N,24,B24,7,A23,3,D22,0
      Variables:
 B1=1.37456302
 B2=1.40980985
 B3=1.41948149
 B4=1.4079785
 B5=1.37797385
 B6=1.42301715
 B7=1.45071952
 B8=1.41887383
 B9=1.36468534
 B10=1.40669246
 B11=1.08513118
 B12=1.37562751
 B13=1.40073648
 B14=1.37716938
 B15=1.08441204
 B16=1.08434709
 B17=1.08550188
 B18=1.08282656
 B19=1.08476295
 B20=1.08441224
 B21=1.084673
 B22=1.08283418
 B23=1.42710437
 B24=1.15880759
 A1=120.79911708
 A2=120.02406765
 A3=117.7526769
 A4=121.320358
 A5=120.20404675
 A6=119.26212811
 A7=119.6738613
 A8=121.20385289
 A9=120.00706882
 A10=118.79284533
 A11=120.69707255
 A12=119.76082514
 A13=120.32704639
 A14=118.97644279
 A15=120.39610833
 A16=120.54226875
 A17=119.99518874
 A18=119.59054444
 A19=120.09379392
 A20=119.93206861
 A21=118.74717169
 A22=119.37229528
 A23=150.65999121
 D1=0.
 D2=0.
 D3=0.
 D4=180.
 D5=180.
 D6=0.
 D7=180.
 D8=180.
 D9=180.
 D10=0.
 D11=0.
 D12=0.
 D13=0.
 D14=180.
 D15=180.
 D16=180.
 D17=180.
 D18=180.
 D19=180.
 D20=180.
 D21=180.
 D22=180.



 


 


  9_CNP_zm.html

  Last modified: 27 May 2019