Approximate re bond lengths are given in parentheses.
C
C
C,1,B1
C,2,B2,1,A1
N,3,B3,2,A2,1,D1,0
H,1,B4,2,A3,3,D2,0
H,1,B5,2,A4,3,D3,0
H,1,B6,2,A5,3,D4,0
F,2,B7,1,A6,3,D5,0
F,2,B8,1,A7,3,D6,0
Variables:
B1=1.50222924 (1.5010)
B2=1.48101819 (1.4808)
B3=1.16886925 (1.1557)
B4=1.08659147
B5=1.08601279
B6=1.08601279
B7=1.35699982 (1.3553)
B8=1.35699982 (1.3553)
A1=113.01268985
A2=177.16013772
A3=107.94761037
A4=109.60405368
A5=109.60405368
A6=110.1825473
A7=110.1825473
D1=0.
D2=180.
D3=60.23518777
D4=-60.23518777
D5=-121.05688149
D6=121.05688149
Approximate re bond lengths are given in parentheses.
C
C,1,B1
C,2,B2,1,A1
N,3,B3,2,A2,1,D1,0
H,1,B4,2,A3,3,D2,0
H,1,B5,2,A4,3,D3,0
H,1,B6,2,A5,3,D4,0
F,2,B7,1,A6,3,D5,0
F,2,B8,1,A7,3,D6,0
Variables:
B1=1.50169738 (1.5005)
B2=1.48026839 (1.4800)
B3=1.1702564 (1.1557)
B4=1.08725394
B5=1.08676914
B6=1.08676914
B7=1.36170994 (1.3552)
B8=1.36170994 (1.3552)
A1=113.0932499
A2=177.02403202
A3=108.01814619
A4=109.56017858
A5=109.56017858
A6=110.22878412
A7=110.22878412
D1=0.
D2=180.
D3=60.16296924
D4=-60.16296924
D5=-121.13120699
D6=121.13120699