1,2,3-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,3,B8,2,A7,1,D6,0
 C,6,B9,1,A8,2,D7,0
 N,10,B10,1,A9,6,D8,0
 C,5,B11,4,A10,3,D9,0
 N,12,B12,6,A11,1,D10,0
 C,4,B13,3,A12,2,D11,0
 N,14,B14,3,A13,2,D12,0
      Variables:
 B1=1.38682001
 B2=1.38682001
 B3=1.39639141
 B4=1.40621555
 B5=1.39639141
 B6=1.08354297
 B7=1.08387851
 B8=1.08354297
 B9=1.42792599
 B10=1.15878362
 B11=1.42545334
 B12=1.15869111
 B13=1.42792599
 B14=1.15878362
 A1=120.2610239
 A2=120.24948036
 A3=120.1021505
 A4=120.24948036
 A5=118.89620548
 A6=119.86948805
 A7=120.85431416
 A8=119.34029526
 A9=148.21320228
 A10=120.48214281
 A11=150.46362897
 A12=119.34029526
 A13=148.21320228
 D1=0.
 D2=0.
 D3=0.
 D4=180.
 D5=180.
 D6=180.
 D7=180.
 D8=180.
 D9=180.
 D10=180.
 D11=180.
 D12=180.
 
 
  123CNBenzene_zm.html
  Last modified: 15 Nov 2010