g-CF2Cl-C(=O)-O-CH3.  MP2/6-311++G(d,p) opt structure.
 
 C
 O,1,B1
 O,1,B2,2,A1
 C,3,B3,1,A2,2,D1,0
 H,4,B4,3,A3,1,D2,0
 H,4,B5,3,A4,1,D3,0
 H,4,B6,3,A5,1,D4,0
 C,1,B7,2,A6,3,D5,0
 F,8,B8,1,A7,2,D6,0
 F,8,B9,1,A8,2,D7,0
 Cl,8,B10,1,A9,2,D8,0
      Variables:
 B1=1.20551111
 B2=1.33003162
 B3=1.44179973
 B4=1.09080062
 B5=1.08711026
 B6=1.09062676
 B7=1.54047307
 B8=1.33736455
 B9=1.34414021
 B10=1.7630466
 A1=127.16242769
 A2=114.09184014
 A3=109.95032468
 A4=105.1294158
 A5=109.9952819
 A6=123.2311111
 A7=109.52864984
 A8=110.93730982
 A9=109.47235398
 D1=0.91093076
 D2=59.3971323
 D3=178.96741627
 D4=-61.47879238
 D5=178.40090755
 D6=19.73327924
 D7=138.76289225
 D8=-100.35268715
 
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g-CF2Cl-C(=O)-O-CH3.  PBE1PBE/6-311+G(3d,3p)
opt structure.
 
 C
 O,1,B1
 O,1,B2,2,A1
 C,3,B3,1,A2,2,D1,0
 H,4,B4,3,A3,1,D2,0
 H,4,B5,3,A4,1,D3,0
 H,4,B6,3,A5,1,D4,0
 C,1,B7,2,A6,3,D5,0
 F,8,B8,1,A7,2,D6,0
 F,8,B9,1,A8,2,D7,0
 Cl,8,B10,1,A9,2,D8,0
      Variables:
 B1=1.19332444
 B2=1.31919103
 B3=1.4315495
 B4=1.08915166
 B5=1.08556831
 B6=1.08898966
 B7=1.54266782
 B8=1.32602468
 B9=1.33561364
 B10=1.76821072
 A1=127.12653001
 A2=115.13516422
 A3=110.06803367
 A4=105.55479585
 A5=110.12762208
 A6=122.6258876
 A7=109.65142972
 A8=110.98674915
 A9=109.66704537
 D1=0.75479537
 D2=60.266527
 D3=179.91308416
 D4=-60.44573287
 D5=179.20399394
 D6=16.67983607
 D7=136.09454273
 D8=-103.22077258
 
  CF2ClCOOCH3_zm.html
  Last modified: 29 Dec 2010