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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 SiH4 (Silane)
1A1 TD
1910171554
InChI=1S/H4Si/h1H4 INChIKey=BLRPTPMANUNPDV-UHFFFAOYSA-N
PBEPBE/Def2TZVPP
Point group is Td
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
0.0000 |
0.0000 |
0.0000 |
|
0.0000 |
0.0000 |
0.0000 |
H2 |
0.8619 |
0.8619 |
0.8619 |
|
0.6932 |
0.9595 |
0.9097 |
H3 |
-0.8619 |
-0.8619 |
0.8619 |
|
-1.2005 |
0.6578 |
-0.5958 |
H4 |
-0.8619 |
0.8619 |
-0.8619 |
|
0.9324 |
-0.4147 |
-1.0897 |
H5 |
0.8619 |
-0.8619 |
-0.8619 |
|
-0.4251 |
-1.2026 |
0.7757 |
Atom - Atom Distances (Å)
|
Si1 |
H2 |
H3 |
H4 |
H5 |
Si1 |
| 1.4929 |
1.4929 |
1.4929 |
1.4929 |
H2 |
1.4929 |
| 2.4379 |
2.4379 |
2.4379 |
H3 |
1.4929 |
2.4379 |
| 2.4379 |
2.4379 |
H4 |
1.4929 |
2.4379 |
2.4379 |
| 2.4379 |
H5 |
1.4929 |
2.4379 |
2.4379 |
2.4379 |
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Maximum atom distance is 2.4379Å
between atoms H2 and H3.
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 |
H2 |
Si1 |
H3 |
109.471 |
|
H2 |
Si1 |
H4 |
109.471 |
H2 |
Si1 |
H5 |
109.471 |
|
H3 |
Si1 |
H4 |
109.471 |
H3 |
Si1 |
H5 |
109.471 |
|
H4 |
Si1 |
H5 |
109.471 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.