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
H,3,B5,1,A4,2,D3,0
H,3,B6,1,A5,2,D4,0
H,4,B7,1,A6,2,D5,0
H,4,B8,1,A7,2,D6,0
Cl,3,B9,1,A8,2,D7,0
Variables:
B1=1.21269389 (1.2092)
B2=1.51579269 (1.5140)
B3=1.51579269 (1.5140)
B4=1.77382869 (1.7783)
B5=1.08427311
B6=1.0868738
B7=1.0868738
B8=1.08427311
B9=1.77382869 (1.7783)
A1=120.84461027
A2=120.84461027
A3=110.76681331
A4=108.68965341
A5=110.30186974
A6=110.30186974
A7=108.68965341
A8=110.76681331
D1=180.
D2=129.81275776
D3=10.26151387
D4=-111.2119611
D5=-111.2119611
D6=10.26151387
D7=129.81275776
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
H,3,B5,1,A4,2,D3,0
H,3,B6,1,A5,2,D4,0
H,4,B7,1,A6,2,D5,0
H,4,B8,1,A7,2,D6,0
Cl,3,B9,1,A8,2,D7,0
Variables:
B1=1.2164086 (1.2098)
B2=1.51450713 (1.5127)
B3=1.51450713 (1.5127)
B4=1.78297293 (1.7797)
B5=1.08468662
B6=1.08715425
B7=1.08715425
B8=1.08468662
B9=1.78297293 (1.7797)
A1=120.76167147
A2=120.76167147
A3=110.44441243
A4=108.86722148
A5=110.5263428
A6=110.5263428
A7=108.86722148
A8=110.44441243
D1=180.
D2=129.51642956
D3=10.3447579
D4=-111.77720434
D5=-111.77720434
D6=10.3447579
D7=129.51642956