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,2,B4,1,A3,3,D2,0
H,2,B5,1,A4,3,D3,0
F,1,B6,2,A5,3,D4,0
F,1,B7,2,A6,3,D5,0
F,1,B8,2,A7,3,D6,0
Variables:
B1=1.5159222 (1.5141)
B2=1.45664518 (1.4577)
B3=1.16824747 (1.1553)
B4=1.08781477
B5=1.08781477
B6=1.33680115 (1.3355)
B7=1.33264705 (1.3315)
B8=1.33264705 (1.3315)
A1=111.69650288
A2=179.40089896
A3=107.97777337
A4=107.97777337
A5=109.53227131
A6=111.5134248
A7=111.5134248
D1=180.
D2=-121.21902034
D3=121.21902034
D4=180.
D5=60.49147905
D6=-60.49147905
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,2,B4,1,A3,3,D2,0
H,2,B5,1,A4,3,D3,0
F,1,B6,2,A5,3,D4,0
F,1,B7,2,A6,3,D5,0
F,1,B8,2,A7,3,D6,0
Variables:
B1=1.51557013 (1.5138)
B2=1.45664151 (1.4574)
B3=1.16956801 (1.1552)
B4=1.08862234
B5=1.08862234
B6=1.34106462 (1.3350)
B7=1.33662673 (1.3306)
B8=1.33662673 (1.3306)
A1=111.82848171
A2=179.39006089
A3=107.94352194
A4=107.94352194
A5=109.54721666
A6=111.63500727
A7=111.63500727
D1=180.00000000
D2=-121.25248025
D3=121.25248025
D4=180.00000000
D5=60.51292830
D6=-60.51292830