2,2,3,3-Tetrafluoropropionyl chloride,  MP2/aug-cc-pVTZ opt structure.
Approximate equilibrium bond lengths are given in parentheses.
 
 C
 C,1,B1
 F,1,B2,2,A1
 F,1,B3,2,A2,3,D1,0
 H,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=1.53322991      (1.5306)
 B2=1.34812474      (1.3419)
 B3=1.34748376      (1.3413)
 B4=1.08978683
 B5=1.34813848      (1.3419)
 B6=1.35104372      (1.3448)
 B7=1.54373014      (1.5407)
 B8=1.19113882      (1.1830)
 B9=1.74833295      (1.7451)
 A1=108.58203915
 A2=107.1888945
 A3=109.95650177
 A4=110.06973739
 A5=108.45673864
 A6=113.45228435
 A7=122.9340345
 A8=113.00106281
 D1=116.97326098
 D2=-64.61396612
 D3=56.52719599
 D4=175.273309
 D5=-67.34750095
 D6=-96.66572383
 D7=82.36652765



 


 


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  Last modified: 7 March 2012