CH3CH2I rs Inagusa et al (1988). Z-matrix
generated from a,b,c coord given in Table V.
0 1
I
C 1 B1
H 2 B2 1 A1
H 2 B3 1 A2 3 D1
C 2 B4 1 A3 3 D2
H 5 B5 2 A4 1 D3
H 5 B6 2 A5 1 D4
H 5 B7 2 A6 1 D5
B1 2.15131298
B2 1.08620677
B3 1.08620677
B4 1.52081095
B5 1.09253648
B6 1.09253648
B7 1.09253192
A1 104.83384569
A2 104.83384569
A3 111.62199701
A4 110.81072651
A5 110.81072651
A6 108.60495884
D1 -115.70906802
D2 122.14546599
D3 -59.90300061
D4 59.90300061
D5 180.00000000
1,2,3,4,5,6,7,8,0
****
C H 0
6-311G(df,p)
****
@/users/bill/Bases/6-311G(df)/I.gbs/N
