structure. Approximate equilibrium bond lengths are given
in parentheses.
C
C,1,B1
H,1,B2,2,A1
H,1,B3,2,A2,3,D1,0
C,2,B4,1,A3,4,D2,0
H,2,B5,1,A4,5,D3,0
H,5,B6,2,A5,1,D4,0
H,5,B7,2,A6,1,D5,0
H,5,B8,2,A7,1,D6,0
Cl,1,B9,2,A8,5,D7,0
Cl,2,B10,1,A9,10,D8,0
Variables:
B1=1.51564814 (1.5138)
B2=1.0860434
B3=1.08871742
B4=1.51339297 (1.5117)
B5=1.0902248
B6=1.08690876
B7=1.08690277
B8=1.09058331
B9=1.77249921 (1.7770)
B10=1.78380591 (1.7884)
A1=110.57573731
A2=108.9250452
A3=113.92685745
A4=106.5694525
A5=110.23999233
A6=110.43582898
A7=109.56887659
A8=113.07597831
A9=110.12522107
D1=120.48003872
D2=-62.09609965
D3=121.8724137
D4=175.90172801
D5=-63.71449996
D6=56.1420823
D7=56.99392283
D8=-67.2228231
structure. Approximate equilibrium bond lengths are given
in parentheses.
C
C,1,B1
H,1,B2,2,A1
H,1,B3,2,A2,3,D1,0
C,2,B4,1,A3,4,D2,0
H,2,B5,1,A4,5,D3,0
H,5,B6,2,A5,1,D4,0
H,5,B7,2,A6,1,D5,0
H,5,B8,2,A7,1,D6,0
Cl,1,B9,2,A8,5,D7,0
Cl,2,B10,1,A9,10,D8,0
Variables: ~re
B1=1.51487804 (1.5131)
B2=1.08626259
B3=1.08899792
B4=1.51313209 (1.5114)
B5=1.09066123
B6=1.08749135
B7=1.08749033
B8=1.09125975
B9=1.78136134 (1.7781)
B10=1.79286748 (1.7896)
A1=110.81273938
A2=109.18487604
A3=114.14636986
A4=106.77069491
A5=110.23781694
A6=110.29768751
A7=109.58207717
A8=112.90698672
A9=109.91015427
D1=121.03331505
D2=-62.22233871
D3=122.47154738
D4=176.52529935
D5=-63.10124239
D6=56.69886275
D7=56.59489319
D8=-67.39266713