n-Perfluorobutyl cyanid AG.  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
 N,5,B5,4,A4,3,D3,0
 F,1,B6,2,A5,3,D4,0
 F,1,B7,2,A6,3,D5,0
 F,2,B8,1,A7,3,D6,0
 F,2,B9,1,A8,3,D7,0
 F,3,B10,2,A9,1,D8,0
 F,3,B11,2,A10,1,D9,0
 F,4,B12,3,A11,2,D10,0
 F,4,B13,3,A12,2,D11,0
 F,1,B14,2,A13,3,D12,0
      Variables:
 B1=1.5467749        (1.5455) 
 B2=1.56240823      (1.5604)
 B3=1.55043702      (1.5490
 B4=1.47916258      (1.4808)
 B5=1.15339981      (1.1544)
 B6=1.32529134      (1.3290)
 B7=1.32715934      (1.3309)
 B8=1.33711667      (1.3410)
 B9=1.34206717      (1.3460)
 B10=1.34390675    (1.3478)
 B11=1.33655998    (1.3404)
 B12=1.33918733    (1.3430)
 B13=1.34067222    (1.3445)
 B14=1.3265437      (1.3302)
 A1=115.02417296
 A2=115.00253914
 A3=109.94491357
 A4=179.72597961
 A5=110.26059863
 A6=110.9120383
 A7=107.18907637
 A8=107.9191556
 A9=109.47230825
 A10=108.82607886
 A11=109.31832945
 A12=109.75884349
 A13=108.40553533
 D1=-98.03065017
 D2=172.11368765
 D3=42.62562464
 D4=-68.62087909
 D5=52.67628341
 D6=120.37963651
 D7=-122.55185392
 D8=23.29395898
 D9=142.09441758
 D10=-68.05109457
 D11=51.74232458
 D12=172.2334524

 
 
  C4F9CN_AG_zm.html
  Last modified: 3 June 2010