(CH3)2SiHCl heavy atom rs Kawashima 2001
with MP2/6-31G(d,p) opt H structure.
0 1
Cl
Si 1 B1
C 2 B2 1 A1
C 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
H 4 B8 2 A7 1 D6
H 4 B9 2 A8 1 D7
H 4 B10 2 A9 1 D8
B1 2.0604
B2 1.8542
B3 1.8542
B4 1.47561232
B5 1.08849293
B6 1.08914601
B7 1.09039149
B8 1.08849293
B9 1.09039149
B10 1.08914601
A1 108.43
A2 108.43
A3 106.50324308
A4 111.31478160
A5 110.86955982
A6 110.29780467
A7 111.31478160
A8 110.29780467
A9 110.86955982
D1 122.20963209
D2 -118.89518395
D3 -58.66068217
D4 61.69406485
D5 -178.66588894
D6 58.66068217
D7 178.66588894
D8 -61.69406485
1,2,3,4,5,6,7,8,9,10,11,0
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
****
Si
D 1 1.00
1.80000000 1.00000000
D 1 1.00
0.450000000 1.00000000
D 1 1.00
0.112500000 1.00000000
F 1 1.00
0.320000000 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
****
