SiH2ICH3 rs Hayashi et al 1989 (Z-matrix calculated
here from a,b,c atomic coordinates given in L&B)
0 1
I
Si 1 B1
C 2 B2 1 A1
H 2 B3 1 A2 3 D1
H 2 B4 1 A3 3 D2
H 3 B5 2 A4 1 D3
H 3 B6 2 A5 1 D4
H 3 B7 2 A6 1 D5
B1 2.44436350
B2 1.85720483
B3 1.47374750
B4 1.47374750
B5 1.06984912
B6 1.08848454
B7 1.08848454
A1 109.54300984
A2 107.04093538
A3 107.04093538
A4 110.86378020
A5 110.78196798
A6 110.78196798
D1 -121.04229519
D2 121.04229519
D3 180.00000000
D4 -59.98495384
D5 59.98495384
1,2,3,4,5,6,7,8,0
****
Si C H 0
6-311G(df,p)
****
@/users/bill/Bases/6-311G(df)/I.gbs/N
