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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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