CF3-C(=O)Cl   MP2/aug-cc-pVTZ opt structure.
Approximate re bond lenghts are given in Parentheses.
 
 F
 C,1,B1
 F,2,B2,1,A1
 F,2,B3,1,A2,3,D1,0
 C,2,B4,1,A3,3,D2,0
 O,5,B5,2,A4,1,D3,0
 Cl,5,B6,2,A5,1,D4,0
      Variables: 
 B1=1.32485721     (1.3191)
 B2=1.33330145     (1.3274)
 B3=1.33330145     (1.3274)
 B4=1.54677607     (1.5436)
 B5=1.18996636     (1.1818)
 B6=1.74739621     (1.7442)
 A1=108.92811473
 A2=108.92811473
 A3=109.88229478
 A4=123.89483791
 A5=111.48322712
 D1=118.49717835
 D2=-120.75141083
 D3=0.
 D4=180.
 
 
  CF3COCl_zm.html
  Last modified: 30 Oct 2010