CH32CHCN  MP2/aug-cc-pVTZ opt structure
approximate re bond lengths are given in parenthese

 N
 C,1,B1
 C,2,B2,1,A1
 H,3,B3,2,A2,1,D1,0
 C,3,B4,2,A3,1,D2,0
 C,3,B5,2,A4,1,D3,0
 H,5,B6,3,A5,2,D4,0
 H,5,B7,3,A6,2,D5,0
 H,5,B8,3,A7,2,D6,0
 H,6,B9,3,A8,2,D7,0
 H,6,B10,3,A9,2,D8,0
 H,6,B11,3,A10,2,D9,0
      Variables:
 B1=1.17160708      (1.1566)
 B2=1.46397261      (1.4645)
 B3=1.09213705
 B4=1.52973883      (1.5273)
 B5=1.52973883      (1.5273)
 B6=1.08924572
 B7=1.08819034
 B8=1.08933056
 B9=1.08924572
 B10=1.08933056
 B11=1.08819034
 A1=179.05482516
 A2=106.83346865
 A3=110.02995251
 A4=110.02995251
 A5=109.52500593
 A6=111.30179309
 A7=110.17836785
 A8=109.52500593
 A9=110.17836785
 A10=111.30179309
 D1=180.
 D2=-61.72679697
 D3=61.72679697
 D4=-178.16850551
 D5=-57.86122282
 D6=62.48474982
 D7=178.16850551
 D8=-62.48474982
 D9=57.86122282
 
 
  CH32CHCN_zm.html
  Last modified: 7 Sept 2010