9-Cyanoanthracene.  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,10,B10,7,A9,3,D8,0
 C,11,B11,10,A10,7,D9,0
 C,12,B12,11,A11,10,D10,0
 C,13,B13,12,A12,11,D11,0
 H,11,B14,10,A13,7,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
 C,8,B20,4,A19,3,D18,0
 H,12,B21,11,A20,10,D19,0
 H,13,B22,12,A21,11,D20,0
 H,14,B23,13,A22,12,D21,0
 N,8,B24,4,A23,3,D22,0
      Variables:
 B1=1.36439514
 B2=1.42340418
 B3=1.43493191
 B4=1.42044485
 B5=1.3661152
 B6=1.39472685
 B7=1.40972506
 B8=1.40972506
 B9=1.39472685
 B10=1.42340418
 B11=1.36439514
 B12=1.41838045
 B13=1.3661152
 B14=1.08550255
 B15=1.08666582
 B16=1.08455526
 B17=1.08550255
 B18=1.08498958
 B19=1.08473997
 B20=1.42429023
 B21=1.08455526
 B22=1.08473997
 B23=1.08498958
 B24=2.58391672
 A1=120.80770873
 A2=118.84480387
 A3=118.74397966
 A4=120.57856435
 A5=121.76326275
 A6=118.72375368
 A7=121.68997945
 A8=122.07864643
 A9=121.76326275
 A10=120.80770873
 A11=120.19001215
 A12=120.83493125
 A13=118.44388219
 A14=118.96067678
 A15=120.25659457
 A16=120.74840908
 A17=118.77405793
 A18=119.74283602
 A19=119.15501028
 A20=120.25659457
 A21=119.42223273
 A22=120.64737773
 A23=119.15501028
 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.



 


 


  9CNAnthracene_zm.html

  Last modified: 26 May 2019