Approximate re bond lengths are given in parentheses.
C
O,1,B1
C,1,B2,2,A1
C,1,B3,2,A2,3,D1,0
Cl,4,B4,1,A3,2,D2,0
F,3,B5,1,A4,2,D3,0
F,3,B6,1,A5,2,D4,0
F,3,B7,1,A6,2,D5,0
F,4,B8,1,A7,2,D6,0
F,4,B9,1,A8,2,D7,0
Variables:
B1=1.19861253 (1.1943)
B2=1.54750166 (1.5441)
B3=1.54331815 (1.5402)
B4=1.75316833 (1.7574)
B5=1.3335493 (1.3324)
B6=1.32043916 (1.3195)
B7=1.33114891 (1.3300)
B8=1.33865863 (1.3374)
B9=1.32891993 (1.3278)
A1=121.77979881
A2=121.67043163
A3=108.72320565
A4=108.97727945
A5=110.19052192
A6=111.1304502
A7=110.39758496
A8=109.42742067
D1=179.29691105
D2=91.68133675
D3=101.12349451
D4=-18.27546903
D5=-139.17516927
D6=-147.61379451
D7=-28.34197531
Approximate re bond lengths are given in parentheses.
C
O,1,B1
C,1,B2,2,A1
C,1,B3,2,A2,3,D1,0
Cl,4,B4,1,A3,2,D2,0
F,3,B5,1,A4,2,D3,0
F,3,B6,1,A5,2,D4,0
F,3,B7,1,A6,2,D5,0
F,4,B8,1,A7,2,D6,0
F,4,B9,1,A8,2,D7,0
Variables:
B1=1.20197596 (1.1945)
B2=1.54729411 (1.5441)
B3=1.54237577 (1.5394)
B4=1.76060651 (1.7574)
B5=1.33769442 (1.3317)
B6=1.32438124 (1.3186)
B7=1.3349463 (1.3290)
B8=1.3419891 (1.3359)
B9=1.33219647 (1.3263)
A1=121.65132706
A2=121.62305738
A3=108.49414349
A4=109.04091474
A5=110.16725399
A6=111.33628888
A7=110.62880598
A8=109.57749288
D1=179.27943448
D2=92.48234048
D3=100.25418371
D4=-19.05684205
D5=-139.98222605
D6=-146.87773187
D7=-27.41779982