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g-CF2ClC(=O)Cl MP2/aug-cc-pVTZ opt structure.
Approximate re bond lengths are given in parentheses.
Cl
C,1,B1
O,2,B2,1,A1
C,2,B3,1,A2,3,D1,0
F,4,B4,2,A3,1,D2,0
F,4,B5,2,A4,1,D3,0
Cl,4,B6,2,A5,1,D4,0
Variables:
B1=1.74804393 (1.7448)
B2=1.19004176 (1.1818)
B3=1.54548402 (1.5423)
B4=1.33800778 (1.3320)
B5=1.33237327 (1.3265)
B6=1.75903312 (1.7558)
A1=124.46371883
A2=112.22221423
A3=110.70823054
A4=109.02171016
A5=108.92306431
D1=-179.02046185
D2=-47.30167938
D3=-166.33243781
D4=73.75682887 |
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