1,2,4-Tricyanobenzene  B3P86/6-31G(3d,3p) opt 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,1,B5,2,A4,3,D3,0
 H,1,B6,6,A5,5,D4,0
 H,2,B7,1,A6,6,D5,0
 H,4,B8,3,A7,2,D6,0
 C,3,B9,2,A8,1,D7,0
 N,10,B10,3,A9,1,D8,0
 C,5,B11,4,A10,3,D9,0
 N,12,B12,5,A11,1,D10,0
 C,6,B13,1,A12,2,D11,0
 N,14,B14,6,A13,1,D12,0
      Variables:
 B1=1.38330344
 B2=1.39962472
 B3=1.39517736
 B4=1.3929243
 B5=1.39717812
 B6=1.08341266
 B7=1.08351968
 B8=1.08309581
 B9=1.42922594
 B10=1.1589675
 B11=1.42820912
 B12=1.15863406
 B13=1.42714721
 B14=1.15890177
 A1=119.91032723
 A2=120.2006417
 A3=120.00915324
 A4=120.48505934
 A5=119.04812754
 A6=120.43659889
 A7=120.30092227
 A8=120.02589576
 A9=179.73869125
 A10=119.34575361
 A11=178.89091369
 A12=119.51533049
 A13=178.60900433
 D1=0.
 D2=0.
 D3=0.
 D4=180.
 D5=180.
 D6=180.
 D7=180.
 D8=0.
 D9=180.
 D10=180.
 D11=180.
 D12=0.
 
 
  124CNBenzene_zm.html
  Last modified: 15 Nov 2010