~re bond lengths are given in parentheses
Cl
C,1,B1
C,2,B2,1,A1
H,2,B3,1,A2,3,D1,0
H,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=1.77020985 (1.7670)
B2=1.50761103 (1.5062)
B3=1.08676566
B5=1.35822068 (1.3518)
B7=1.09142993
A1=111.81934627
A2=108.41673913
A4=110.81556528
A6=111.09866871
D1=-120.33113702
D3=-59.74962901
D5=180.
~re bond lengths are given in parentheses
Cl
C,1,B1
C,2,B2,1,A1
H,2,B3,1,A2,3,D1,0
H,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=1.77330246 (1.7700)
B2=1.50799483 (1.5065)
B3=1.0856348
B4=1.08631407
B5=1.088733
B6=1.35696753 (1.3506)
B7=1.36534032 (1.3588)
A1=110.00644002
A2=108.43313798
A3=108.88393893
A4=113.66816864
A5=110.42986277
A6=107.93966092
D1=-119.78650068
D2=119.93156731
D3=-53.71813115
D4=68.4581084
D5=-174.40318443
