C-C and CF 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
F,3,R7,2,A7,6,-D2,0
F,3,R7,2,A7,6,D2,0
Variables:
R1=1.54979731 (1.5406)
R2=1.54732779 (1.5382)
R3=1.34535191 (1.3380)
R4=1.33230139 (1.3254)
R5=1.33100811 (1.3242)
R6=2.16474253
R7=1.34277161 (1.3355)
A3=115.33357422
A4=107.17828492
A1=108.46160589
A2=110.84862101
A6=111.27469954
A7=108.95180646
D1=-60.70170708
D2=-58.97349117
D3=121.34590336
C-C and CF bond lengths are given in parentheses:
Variables:
R1=1.54370721 (1.5406)
R2=1.5394727 (1.5382)
R3=1.34573908 (1.3380)
R4=1.33268672 (1.3254)
R5=1.33104267 (1.3242)
R6=2.13741764
R7=1.34419344 (1.3355)
A3=115.43025855
A4=107.09510809
A1=108.35724326
A2=110.78788855
A6=111.48047358
A7=108.7316776
D1=-60.72006731
D2=-58.88492432
D3=121.22718049
C-C and CF bond lengths are given in parentheses:
Variables:
R1=1.54704027 (1.5406)
R2=1.54371616 (1.5382)
R3=1.34598561 (1.3380)
R4=1.33320504 (1.3254)
R5=1.33147089 (1.3242)
R6=2.15386484
R7=1.34387128 (1.3355)
A3=115.09200113
A4=107.24213956
A1=108.37639511
A2=110.78256878
A6=111.03085142
A7=109.0586689
D1=-60.68752736
D2=-59.10430436
D3=121.18752575
C-C and CF bond lengths are given in parentheses:
Variables:
R1=1.54616963 (1.5406)
R2=1.54307597 (1.5382)
R3=1.33816924 (1.3380)
R4=1.32536633 (1.3254)
R5=1.32419171 (1.3242)
R6=2.1414154
R7=1.33533653 (1.3355)
A3=114.72567706
A4=107.4250383
A1=108.32977414
A2=110.71300984
A6=110.57559054
A7=109.14161619
D1=-60.68138626
D2=-59.21136933
D3=121.05655112