n-Perfluoropentyl Cyanide, transoid.  B3P86/6-31G(2d,2p)
optimized structure.  Approximate re bond lengths are given
in parentheses.
 
 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
 N,6,B6,5,A5,4,D4,0
 F,1,B7,2,A6,3,D5,0
 F,1,B8,2,A7,3,D6,0
 F,2,B9,1,A8,3,D7,0
 F,2,B10,1,A9,3,D8,0
 F,3,B11,2,A10,1,D9,0
 F,3,B12,2,A11,1,D10,0
 F,4,B13,3,A12,2,D11,0
 F,4,B14,3,A13,2,D12,0
 F,5,B15,4,A14,3,D13,0
 F,5,B16,4,A15,3,D14,0
 F,1,B17,2,A16,3,D15,0
      Variables:
 B1=1.54691389     (1.5456)   
 B2=1.55056266     (1.5491)
 B3=1.55266923     (1.5511)
 B4=1.55187946     (1.5504)
 B5=1.47883632     (1.4805)
 B6=1.15344866     (1.1544)
 B7=1.32840596     (1.3321)
 B8=1.32496984     (1.3287)
 B9=1.33821805     (1.3421)
 B10=1.34186319   (1.3458)
 B11=1.34069473   (1.3446)
 B12=1.34070409   (1.3446)
 B13=1.3391727     (1.3430)
 B14=1.340238       (1.3441)
 B15=1.33853783   (1.3424)
 B16=1.34205474   (1.3459)
 B17=1.3262599     (1.3300)
 A1=113.90944946
 A2=112.78641508
 A3=113.75747296
 A4=110.09674494
 A5=179.47489078
 A6=110.23042597
 A7=110.6600369
 A8=107.86420948
 A9=107.77403537
 A10=108.27482029
 A11=109.23395576
 A12=108.59600804
 A13=109.87575213
 A14=109.67568263
 A15=109.16658333
 A16=108.66572007
 D1=163.56533615
 D2=162.42350473
 D3=169.06805209
 D4=64.86513053
 D5=50.40888823
 D6=-70.64582587
 D7=-120.53738787
 D8=121.47028677
 D9=-75.31476445
 D10=43.34301915
 D11=-77.72584255
 D12=41.8947354
 D13=-70.75054893
 D14=48.81865483
 D15=169.83640715

 
 
  C5F11CN_transoid_zm.html
  Last modified: 4 June 2010