MP2/aug-cc-pVTZ optimized structure of chloroacetyl chloride.
~re bond lengths are given in parentheses.

 Cl
 C,1,B1
 O,2,B2,1,A1
 C,2,B3,1,A2,3,D1,0
 H,4,B4,2,A3,1,D2,0
 H,4,B5,2,A4,1,D3,0
 Cl,4,B6,2,A5,1,D4,0
      Variables:
 B1=1.79387534  (1.7906)
 B2=1.18669001  (1.1783)
 B3=1.50762106  (1.5062)
 B4=1.08786102
 B5=1.08786102
 B6=1.76253629  (1.7593)
 A1=122.09376343
 A2=108.70974707
 A3=108.44715965
 A4=108.44715965
 A5=112.11789634
 D1=180.
 D2=58.88847747
 D3=-58.88847747
 D4=180.

 
 
  ClCH2COCl_zm.html
  Last modified: 10 Aug 2009