C
C,1,B1
C,2,B2,1,A1
H,1,B3,2,A2,3,D1,0
H,3,B4,2,A3,1,D2,0
H,2,B5,1,A4,3,D3,0
Cl,1,B6,2,A5,3,D4,0
Corrected CCl bond length
is given in parentheses
B1=1.47320008
B2=1.30677914
B3=1.08164276
B4=1.07423934
B5=1.07423934
B6=1.78752193 (1.7921)
A1=63.6714917
A2=123.36039284
A3=150.6127461
A4=145.57306866
A5=119.4733654
D1=109.01422535
D2=175.41827761
D3=176.02425822
D4=-106.24045588
Corrected CCl bond length
is given in parentheses
B1=1.47345832
B2=1.30881802
B3=1.08113283
B4=1.07453046
B5=1.07453046
B6=1.79874858 (1.7955)
A1=63.6322248
A2=123.77591664
A3=150.44609807
A4=145.77434845
A5=119.34105416
D1=109.36245041
D2=175.36770993
D3=175.9387501
D4=-106.17923443