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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=
QCISD(T)=FULL/aug-cc-pVQZ
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
0.0299 |
-0.5299 |
0.0000 |
|
-0.5284 |
0.0501 |
0.0000 |
O2 |
0.0299 |
1.1140 |
0.0000 |
|
1.1143 |
-0.0128 |
0.0000 |
H3 |
1.4362 |
-0.9263 |
0.0000 |
|
-0.8706 |
1.4706 |
0.0000 |
H4 |
-0.6433 |
-1.0707 |
1.1880 |
|
-1.0945 |
-0.6018 |
1.1880 |
H5 |
-0.6433 |
-1.0707 |
-1.1880 |
|
-1.0945 |
-0.6018 |
-1.1880 |
H6 |
-0.8066 |
1.5743 |
0.0000 |
|
1.5422 |
-0.8663 |
0.0000 |
Atom - Atom Distances (Å)
|
Si1 |
O2 |
H3 |
H4 |
H5 |
H6 |
Si1 |
| 1.6439 |
1.4611 |
1.4687 |
1.4687 |
2.2643 |
O2 |
1.6439 |
| 2.4780 |
2.5763 |
2.5763 |
0.9547 |
H3 |
1.4611 |
2.4780 |
| 2.3993 |
2.3993 |
3.3590 |
H4 |
1.4687 |
2.5763 |
2.3993 |
| 2.3761 |
2.9041 |
H5 |
1.4687 |
2.5763 |
2.3993 |
2.3761 |
| 2.9041 |
H6 |
2.2643 |
0.9547 |
3.3590 |
2.9041 |
2.9041 |
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Maximum atom distance is 3.3590Å
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 |
118.824 |
|
O2 |
Si1 |
H3 |
105.741 |
O2 |
Si1 |
H4 |
111.605 |
|
O2 |
Si1 |
H5 |
111.605 |
H3 |
Si1 |
H4 |
109.953 |
|
H3 |
Si1 |
H5 |
109.953 |
H4 |
Si1 |
H5 |
107.982 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.