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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for SiH3OH (silanol)
1A' CS
1910171554
InChI=1S/H4OSi/c1-2/h1H,2H3 INChIKey=
MP2/CEP-31G*
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
0.0319 |
-0.5420 |
0.0000 |
|
-0.5428 |
0.0110 |
0.0000 |
O2 |
0.0319 |
1.1439 |
0.0000 |
|
1.1418 |
0.0760 |
0.0000 |
H3 |
1.4696 |
-0.9368 |
0.0000 |
|
-0.9928 |
1.4324 |
0.0000 |
H4 |
-0.6592 |
-1.0894 |
1.2140 |
|
-1.0632 |
-0.7007 |
1.2140 |
H5 |
-0.6592 |
-1.0894 |
-1.2140 |
|
-1.0632 |
-0.7007 |
-1.2140 |
H6 |
-0.8531 |
1.5524 |
0.0000 |
|
1.5842 |
-0.7926 |
0.0000 |
Atom - Atom Distances (Å)
|
Si1 |
O2 |
H3 |
H4 |
H5 |
H6 |
Si1 |
| 1.6859 |
1.4909 |
1.5004 |
1.5004 |
2.2737 |
O2 |
1.6859 |
| 2.5291 |
2.6343 |
2.6343 |
0.9748 |
H3 |
1.4909 |
2.5291 |
| 2.4554 |
2.4554 |
3.4046 |
H4 |
1.5004 |
2.6343 |
2.4554 |
| 2.4280 |
2.9139 |
H5 |
1.5004 |
2.6343 |
2.4554 |
2.4280 |
| 2.9139 |
H6 |
2.2737 |
0.9748 |
3.4046 |
2.9139 |
2.9139 |
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Maximum atom distance is 3.4046Å
between atoms H3 and H6.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Si1 |
O2 |
H6 |
114.777 |
|
O2 |
Si1 |
H3 |
105.355 |
O2 |
Si1 |
H4 |
111.398 |
|
O2 |
Si1 |
H5 |
111.398 |
H3 |
Si1 |
H4 |
110.339 |
|
H3 |
Si1 |
H5 |
110.339 |
H4 |
Si1 |
H5 |
108.024 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.