~re C-C and CN bond lengths are given in parentheses.
I
C,1,B1
C,2,B2,1,A1
N,3,B3,2,A2,1,D1,0
H,2,B5,1,A4,3,D3,0
H,2,B6,1,A5,3,D4,0
Variables:
B1=2.1357956
B2=1.44828623 (1.4497)
B3=1.17049977 (1.1568)
B5=1.08495847
B6=1.08495847
A1=111.57798791
A2=179.18681769
A4=106.92887485
A5=106.92887485
D1=180.
D3=121.08886696
D4=-121.08886696
