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g-3-Br-3,3-Difluoropropene MP2/aug-cc-pVTZ opt
structure. ~re bond lengths are given in parentheses.
H
C,1,B1
C,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
Br,3,B6,2,A5,1,D4,0
F,3,B7,2,A6,1,D5,0
F,3,B8,2,A7,1,D6,0
Variables:
B1=1.0810502
B2=1.48661503 (1.4861)
B3=1.33170584 (1.3280)
B4=1.07961689
B5=1.07974442
B6=1.93991267 (1.9479)
B7=1.3516604
(1.3454)
B8=1.34430741 (1.3382)
A1=114.64613297
A2=122.72424648
A3=120.3357091
A4=121.20021431
A5=110.36663161
A6=110.72215723
A7=112.62995923
D1=-179.92054466
D2=0.30422832
D3=-179.41815119
D4=64.65751814
D5=-54.2983146
D6=-174.28507386 |
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