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=1.51323048 (1.5115)
B2=1.08832257
B3=1.0874987
B4=1.5167294 (1.5148)
B5=1.08816178
B6=1.08690176
B7=1.08888008
B8=1.090066
B9=1.770836 (1.7753)
B10=1.78232465 (1.7869)
A1=109.15498644
A2=110.34473467
A3=110.53033601
A4=109.61023167
A5=110.35858933
A6=110.40075275
A7=109.9101137
A8=112.60810168
A9=109.9531061
D1=120.52716858
D2=66.37537796
D3=122.74767329
D4=-178.74182599
D5=-58.87555047
D6=61.36042643
D7=-173.02961167
D8=65.87200745
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=1.51222037 (1.5106)
B2=1.0887006
B3=1.08777666
B4=1.5165289 (1.5147)
B5=1.08852726
B6=1.08749568
B7=1.08949225
B8=1.09077763
B9=1.77952882 (1.7763)
B10=1.7913184 (1.7880)
A1=109.38390519
A2=110.55784374
A3=110.71885853
A4=109.79000772
A5=110.35706599
A6=110.36023249
A7=109.88228831
A8=112.40585107
A9=109.77386173
D1=121.02253216
D2=66.65653076
D3=123.29908133
D4=-178.421984
D5=-58.56981566
D6=61.61196671
D7=-173.0075483
D8=66.08300908