CH3SCl ro Guarnieri et al 1973
0 1
X
C 1 B1
S 2 B2 1 A1
Cl 3 B3 2 A2 1 D1
H 2 B4 1 A3 3 D2
H 2 B5 1 A4 3 D3
H 2 B6 1 A5 3 D4
B1 1.
B2 1.7875
B3 2.0372
B4 1.0822
B5 1.0822
B6 1.0822
A1 3.69
A2 99.45
A3 110.21
A4 110.21
A5 110.21
D1 0.
D2 0.
D3 -120.
D4 120.
1,2,3,4,5,6,0
TZV
****
Cl
D 1 1.00
3.00000000 1.00000000
D 1 1.00
0.750000000 1.00000000
D 1 1.00
0.187500000 1.00000000
F 1 1.00
0.700000000 1.00000000
****
S
D 1 1.00
2.60000000 1.00000000
D 1 1.00
0.650000000 1.00000000
D 1 1.00
0.162500000 1.00000000
F 1 1.00
0.550000000 1.00000000
****
C
D 1 1.00
2.50400000 1.00000000
D 1 1.00
0.626000000 1.00000000
D 1 1.00
0.156500000 1.00000000
F 1 1.00
0.800000000 1.00000000
****
H
P 1 1.00
1.500000000 1.00000000
P 1 1.00
0.375000000 1.00000000
****
