MP2/aug-cc-pVTZ opt structure
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
H,1,B7,2,A6,3,D5,0
H,1,B8,2,A7,3,D6,0
Variables:
B1=1.51835529 (1.5164)
B2=1.45967723 (1.4604)
B3=1.17029431 (1.1557)
B4=1.09106772
B5=1.08971657
B6=1.38514126 (1.3782)
B7=1.08912846
B8=1.08882279
A1=112.07168548
A2=179.26299194
A3=109.06976148
A4=109.51198863
A5=109.42257365
A6=109.94751827
A7=111.3430986
D1=49.76012403
D2=120.63849717
D3=-121.35662222
D4=65.64072628
D5=-175.82401279
D6=-53.75060902
MP2/6-311+G(3df,3pd) opt structure
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
H,1,B7,2,A6,3,D5,0
H,1,B8,2,A7,3,D6,0
Variables:
B1=1.51806329 (1.5161)
B2=1.45953563 (1.4604)
B3=1.16886626 (1.1557)
B4=1.09034145
B5=1.0889858
B6=1.38002582 (1.3778)
B7=1.08844198
B8=1.08818862
A1=112.02208531
A2=179.34967567
A3=109.07277882
A4=109.47133014
A5=109.40865304
A6=109.88687954
A7=111.28087108
D1=50.79072274
D2=120.68237797
D3=-121.32784608
D4=65.40459796
D5=-176.007747
D6=-54.04125816