Approximate re bond lengths are given in parentheses.
C
C,1,B1
N,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
H,2,B4,1,A3,3,D2,0
H,2,B5,1,A4,3,D3,0
Cl,1,B6,2,A5,3,D4,0
H,1,B7,2,A6,3,D5,0
H,1,B8,2,A7,3,D6,0
Variables:
B1=1.51657256 (1.5147)
B2=1.41818932
B3=1.1793757
B4=1.0882544
B5=1.089947
B6=1.76830672 (1.7727)
B7=1.08614387
B8=1.0864051
A1=111.30681924
A2=179.10065018
A3=110.3085526
A4=109.07896247
A5=111.31801606
A6=110.66370847
A7=109.31422996
D1=7.77936148
D2=-120.81566995
D3=119.65127388
D4=65.72890365
D5=-54.21559664
D6=-175.17461632
Approximate re bond lengths are given in parentheses.
C
C,1,B1
N,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
H,2,B4,1,A3,3,D2,0
H,2,B5,1,A4,3,D3,0
Cl,1,B6,2,A5,3,D4,0
H,1,B7,2,A6,3,D5,0
H,1,B8,2,A7,3,D6,0
Variables:
B1=1.5161688 (1.5143)
B2=1.41984919
B3=1.18089549
B4=1.08893626
B5=1.09075441
B6=1.77714901 (1.7739)
B7=1.08659941
B8=1.08691986
A1=111.37540391
A2=179.11438913
A3=110.38082798
A4=109.11591227
A5=111.08051558
A6=110.8998652
A7=109.55267666
D1=8.98539874
D2=-120.78923039
D3=119.61997307
D4=65.80290921
D5=-53.86781133
D6=-175.36075267