(CH3)2CHI rs Ikeda et al (1989)
Z-matrix generated from a,b,c coordinates
0 1
I
C 1 B1
H 2 B2 1 A1
C 2 B3 1 A2 3 D1
C 2 B4 1 A3 4 D2
H 4 B5 2 A4 1 D3
H 5 B6 2 A5 1 D4
H 4 B7 2 A6 1 D5
H 5 B8 2 A7 1 D6
H 4 B9 2 A8 1 D7
H 5 B10 2 A9 1 D8
B1 2.16679898
B2 1.09000063
B3 1.51695782
B4 1.51695782
B5 1.04216194
B6 1.04216194
B7 1.10852302
B8 1.10852302
B9 1.08558537
B10 1.08558537
A1 103.01723687
A2 109.74455106
A3 109.74455106
A4 116.21292808
A5 116.21292808
A6 109.70945673
A7 109.70945673
A8 109.81937328
A9 109.81937328
D1 117.35452412
D2 125.29095176
D3 -49.91770076
D4 49.91770076
D5 62.94769589
D6 -62.94769589
D7 -179.09854669
D8 179.09854669
1,2,3,4,5,6,7,8,9,10,11,0
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C H 0
6-311G(df,p)
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@/users/bill/Bases/6-311G(df)/I.gbs/N
