~re bond lengths are given in parentheses
H
C,1,R1
C,2,R2,1,A3
C,2,R3,1,A4,3,180.,0
H,4,R4,2,A5,3,180.,0
H,4,R5,2,A6,3,0.,0
I,3,R6,2,A7,6,0.,0
H,3,R7,2,A8,6,-D,0
H,3,R7,2,A8,6,D,0
Variables:
R1=1.09141234 (1.0885)
R2=1.50030474 (1.4941)
R3=1.33889618 (1.3299)
R4=1.08473163 (1.082)
R5=1.08463626 (1.082)
R6=2.15828418
R7=1.09227108 (1.090)
A3=112.75461374
A4=118.86720335
A5=120.21248767
A6=121.8096512
A7=116.28780155
A8=110.59293585
D=120.06834113
