~re bond lengths are given in parentheses
Cl
C,1,B1
C,2,B2,1,A1
F,2,B3,1,A2,3,D1,0
F,2,B3,1,A2,3,-D1,0
F,3,B5,2,A4,1,D3,0
F,3,B5,2,A4,1,-D3,0
H,3,B7,2,A6,1,D5,0
Variables:
B1=1.74959021 (1.7464)
B2=1.53273135 (1.5302)
B3=1.34296028 (1.3368)
B5=1.34691359 (1.3407)
B7=1.09023712
A1=112.32220251
A2=110.03049649
A4=109.42321022
A6=109.66370456
D1=-120.63855305
D3=-59.64978055
D5=180.
~re bond lengths are given in parentheses
Cl
C,1,B1
C,2,B2,1,A1
F,2,B3,1,A2,3,D1,0
F,2,B4,1,A3,3,D2,0
H,3,B5,2,A4,1,D3,0
F,3,B6,2,A5,1,D4,0
F,3,B7,2,A6,1,D5,0
Variables:
B1=1.75835167 (1.7551)
B2=1.53434723 (1.5317)
B3=1.34210433 (1.3360)
B4=1.33568374 (1.3297)
B5=1.08862342
B6=1.34705108 (1.3408)
B7=1.35009344 (1.3438)
A1=110.13301477
A2=109.47620759
A3=110.02033732
A4=110.92526959
A5=109.31281796
A6=108.22522769
D1=-119.16580842
D2=121.89143334
D3=-58.99422745
D4=62.57489569
D5=-179.42326783
