C-C, CF, and CH bond lengths are given in parentheses:
C
C,1,R1
C,2,R2,1,A3
H,2,R3,1,A4,3,-D3,0
H,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=1.50897177 (1.5022)
R2=1.52276191 (1.5152)
R3=1.09272173 (1.090)
R4=1.3440907 (1.3367)
R5=1.34742015 (1.3399)
R6=2.15701065
R7=1.08937205 (1.087)
A3=111.40176841
A4=107.37412953
A1=111.24527576
A2=111.73582402
A6=110.9274279
A7=111.58585771
D1=-59.97922695
D2=-61.67193288
D3=121.87083026
C-C, CF, and CH bond lengths are given in parentheses:
Variables:
R1=1.50415205 (1.5022)
R2=1.51702603 (1.5152)
R3=1.09114791 (1.090)
R4=1.34465973 (1.3367)
R5=1.34768246 (1.3399)
R6=2.13625266
R7=1.08728177 (1.087)
A3=111.0374567
A4=107.43986045
A1=111.28081359
A2=111.7221296
A6=111.4013926
A7=111.53836411
D1=-59.95465643
D2=-61.35538402
D3=121.95850895
C-C, CF, and CH bond lengths are given in parentheses:
Variables:
R1=1.50636243 (1.5022)
R2=1.51788599 (1.5152)
R3=1.08743761 (1.090)
R4=1.34542457 (1.3367)
R5=1.34888004 (1.3399)
R6=2.14844916
R7=1.08315316 (1.087)
A3=110.87232013
A4=107.57892116
A1=111.31956732
A2=111.75230049
A6=110.91353594
A7=111.84646289
D1=-59.96553455
D2=-61.95426021
D3=121.73841789
C-C, CF, and CH bond lengths are given in parentheses:
Variables:
R1=1.50556227 (1.5022)
R2=1.51540065 (1.5152)
R3=1.08785048 (1.090)
R4=1.33505841 (1.3367)
R5=1.33950534 (1.3399)
R6=2.13003307
R7=1.08477354 (1.087)
A3=110.81777224
A4=107.59766018
A1=111.17040967
A2=111.4825641
A6=110.97018319
A7=111.63141224
D1=-59.93508233
D2=-61.54435749
D3=121.64089696