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,4,B7,1,A6,2,D5,0
F,4,B8,1,A7,2,D6,0
Cl,3,B9,1,A8,2,D7,0
Variables:
B1=1.19875304 (1.1944)
B2=1.54452218 (1.5413)
B3=1.54452218 (1.5413)
B4=1.75479814 (1.7591)
B5=1.32883916 (1.3278)
B6=1.33774172 (1.3365)
B7=1.33774172 (1.3365)
B8=1.32883916 (1.3278)
B9=1.75479814 (1.7591)
A1=121.44916483
A2=121.44916483
A3=108.24747509
A4=109.36865075
A5=111.11652574
A6=111.11652574
A7=109.36865075
A8=108.24747509
D1=180.
D2=93.26925961
D3=-26.3764579
D4=-145.96530881
D5=-145.96530881
D6=-26.3764579
D7=93.26925961
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,4,B7,1,A6,2,D5,0
F,4,B8,1,A7,2,D6,0
Cl,3,B9,1,A8,2,D7,0
Variables:
B1=1.20192106 (1.1944)
B2=1.54392265 (1.5408)
B3=1.54392265 (1.5408)
B4=1.76187197 (1.7586)
B5=1.33243901 (1.3265)
B6=1.3412509 (1.3352)
B7=1.3412509 (1.3352)
B8=1.33243901 (1.3265)
B9=1.76187197 (1.7586)
A1=121.41505196
A2=121.41505196
A3=108.10616044
A4=109.47792083
A5=111.33279321
A6=111.33279321
A7=109.47792083
A8=108.10616044
D1=180.
D2=93.37962236
D3=-26.15714781
D4=-145.8905768
D5=-145.8905768
D6=-26.15714781
D7=93.37962236