gt-CH2Cl-CH2-CH2I. Approximate
equilibrium bond lengths are given in ( ).
C
C,1,B1
C,2,B2,1,A1
H,2,B3,1,A2,3,D1,0
H,2,B4,1,A3,3,D2,0
H,1,B5,2,A4,3,D3,0
Cl,1,B6,2,A5,3,D4,0
H,1,B7,2,A6,3,D5,0
I,3,B8,2,A7,1,D6,0
H,3,B9,2,A8,1,D7,0
H,3,B10,2,A9,1,D8,0
Variables:
B1=1.52262333 (1.5150)
B2=1.52119785 (1.5137)
B3=1.09395921 (1.091)
B4=1.09627309 (1.093)
B5=1.0907706 (1.089)
B6=1.78684375 (1.7862)
B7=1.09200484 (1.090)
B8=2.15948753
B9=1.09161584 (1.089)
B10=1.08907176 (1.087)
A1=111.97358297
A2=109.60819243
A3=107.66322386
A4=110.44874998
A5=111.5973735
A6=111.03854506
A7=111.77517563
A8=111.42489154
A9=111.8172095
D1=-122.62856127
D2=120.59496155
D3=-175.66209407
D4=65.34172298
D5=-54.42738148
D6=177.75227581
D7=59.41684734
D8=-63.50655632
