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
H,3,B5,2,A4,1,D3,0
H,3,B5,2,A4,1,-D3,0
F,3,B7,2,A6,1,D5,0
Variables:
B1=1.76989905 (1.7666)
B2=1.51437115 (1.5126)
B3=1.34215407 (1.3360)
B5=1.08773809
B7=1.37562596 (1.3688)
A1=108.75755411
A2=109.21219693
A4=108.92316115
A6=108.99632641
D1=-121.36703515
D3=-60.58779063
D5=180.
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
H,3,B7,2,A6,1,D5,0
Variables:
B1=1.76066264 (1.7574)
B2=1.51545946 (1.5136)
B3=1.3495336 (1.3433)
B4=1.34335146 (1.3372)
B5=1.08756372
B6=1.37230571 (1.3656)
B7=1.08944464
A1=112.32935454
A2=109.27383051
A3=108.94691802
A4=109.04289318
A5=109.91532938
A6=107.79676471
D1=-119.57773726
D2=123.09520226
D3=-60.65794508
D4=59.69111087
D5=178.76058951
