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
 
 
  gCF2BrCHCH2_zm.html
  Last modified: 2 June 2011