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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.
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