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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 SiH3 (Silyl radical)
2A1 C3V
1910171554
InChI=1S/H3Si/h1H3 INChIKey=OLRJXMHANKMLTD-UHFFFAOYSA-N
B3LYPultrafine/cc-pVTZ
Point group is C3v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
0.0000 |
0.0000 |
0.0803 |
|
0.0000 |
0.0000 |
0.0803 |
H2 |
0.0000 |
1.4136 |
-0.3748 |
|
0.0000 |
1.4136 |
-0.3748 |
H3 |
1.2242 |
-0.7068 |
-0.3748 |
|
1.2242 |
-0.7068 |
-0.3748 |
H4 |
-1.2242 |
-0.7068 |
-0.3748 |
|
-1.2242 |
-0.7068 |
-0.3748 |
Atom - Atom Distances (Å)
|
Si1 |
H2 |
H3 |
H4 |
Si1 |
| 1.4850 |
1.4850 |
1.4850 |
H2 |
1.4850 |
| 2.4484 |
2.4484 |
H3 |
1.4850 |
2.4484 |
| 2.4484 |
H4 |
1.4850 |
2.4484 |
2.4484 |
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Maximum atom distance is 2.4484Å
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 |
111.046 |
|
H2 |
Si1 |
H4 |
111.046 |
H3 |
Si1 |
H4 |
111.046 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.