~re bond lengths given in parentheses.
H
C,1,B1
C,2,B2,1,A1
N,3,B3,2,A2,1,D1,0
F,2,B4,1,A3,3,D2,0
I,2,B5,1,A4,3,D3,0
Variables:
B1=1.08964759 (1.0885)
B2=1.46078371 (1.4569)
B3=1.176074 (1.1568)
B4=1.36765034 (1.3597)
B5=2.16578412
A1=110.75121813
A2=178.38038629
A3=109.07914192
A4=106.47419521
D1=23.06631401
D2=121.25322349
D3=-119.88113762
~re bond lengths given in parentheses.
H
C,1,B1
C,2,B2,1,A1
N,3,B3,2,A2,1,D1,0
F,2,B4,1,A3,3,D2,0
I,2,B5,1,A4,3,D3,0
Variables:
B1=1.08537782
B2=1.45643363 (1.4575)
B3=1.17060663 (1.1569)
B4=1.36270158 (1.3609)
B5=2.13897222
A1=110.97413737
A2=178.58550341
A3=109.16005479
A4=106.39863936
D1=18.33185708
D2=121.4437931
D3=-119.77983706