3,3,3-Trifluoropropionyl chloride,  MP2/aug-cc-pVTZ opt structure.
Approximate equilibrium bond lengths are given in parentheses.
 
 C
 C,1,B1
 H,1,B2,2,A1
 H,1,B3,2,A2,3,D1,0
 F,2,B4,1,A3,3,D2,0
 F,2,B5,1,A4,3,D3,0
 F,2,B6,1,A5,3,D4,0
 C,1,B7,2,A6,6,D5,0
 O,8,B8,1,A7,2,D6,0
 Cl,8,B9,1,A8,2,D7,0
      Variables:             ~re
 B1=1.51013667     (1.5086)
 B2=1.08908872
 B3=1.08908872
 B4=1.34465279     (1.3385)
 B5=1.33719245     (1.3312)
 B6=1.33719245     (1.3312)
 B7=1.50477582     (1.5034)
 B8=1.18936524     (1.1811)
 B9=1.78800334     (1.7847)
 A1=109.01665105
 A2=109.01665105
 A3=109.40733342
 A4=111.97020761
 A5=111.97020761
 A6=113.29301158
 A7=128.08367577
 A8=110.22133755
 D1=117.29746524
 D2=-58.64873262
 D3=60.48500564
 D4=-177.78247089
 D5=-60.86626173
 D6=0.
 D7=180.



 


 


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  Last modified: 7 March 2012