C-C, CF, and CH bond lengths are given in parentheses:
C
C,1,R1
C,2,R2,1,A3
F,2,R3,1,A4,3,-D3,0
F,2,R3,1,A4,3,D3,0
F,1,R4,2,A1,3,180.,0
F,1,R5,2,A2,3,-D1,0
F,1,R5,2,A2,3,D1,0
I,3,R6,2,A6,6,180.,0
H,3,R7,2,A7,6,-D2,0
H,3,R7,2,A7,6,D2,0
Variables:
R1=1.54286337 (1.5340)
R2=1.51105165 (1.5042)
R3=1.35423661 (1.3465)
R4=1.32906948 (1.3223)
R5=1.33802297 (1.3309)
R6=2.14616797
R7=1.08929674 (1.087)
A3=111.96169093
A4=106.77870364
A1=110.82316165
A2=109.98160084
A6=112.25117345
A7=109.44610563
D1=-59.68290377
D2=-60.63046014
D3=122.28563426
C-C, CF, and CH bond lengths are given in parentheses:
Variables:
R1=1.53714402 (1.5340)
R2=1.50398796 (1.5042)
R3=1.35498943 (1.3465)
R4=1.32903482 (1.3223)
R5=1.33794047 (1.3309)
R6=2.12497632
R7=1.08719726 (1.087)
A3=111.86546086
A4=106.66145047
A1=110.83027987
A2=109.86482561
A6=112.48894922
A7=109.31751307
D1=-59.64460571
D2=-60.31581362
D3=122.25864955
C-C, CF, and CH bond lengths are given in parentheses:
Variables:
R1=1.54057269 (1.5340)
R2=1.50694531 (1.5042)
R3=1.35538901 (1.3465)
R4=1.32996013 (1.3223)
R5=1.33857626
R6=2.13810226
R7=1.08329996 (1.087)
A3=111.68825095
A4=106.75567568
A1=110.7994532
A2=109.91981321
A6=112.01235475
A7=109.64710926
D1=-59.67575722
D2=-60.89970818
D3=122.22629493
C-C, CF, and CH bond lengths are given in parentheses:
Variables:
R1=1.53914798 (1.5340)
R2=1.50720914 (1.5042)
R3=1.34623185 (1.3465)
R4=1.32222713 (1.3223)
R5=1.33086398 (1.3309)
R6=2.11940697
R7=1.08439375 (1.087)
A3=111.52452966
A4=107.05265822
A1=110.67310014
A2=109.86181596
A6=111.67389323
A7=109.54224797
D1=-59.70345659
D2=-60.64504271
D3=121.97374523