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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 SiH2D2 (silane-d2)
1A1 C2V
1910171554
InChI=1S/H4Si/h1H4 INChIKey=
QCISD(T)/aug-cc-pVDZ
Point group is C2v
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 |
0.0000 |
1.2192 |
0.8621 |
|
0.0000 |
0.8621 |
1.2192 |
H3 |
0.0000 |
-1.2192 |
0.8621 |
|
0.0000 |
0.8621 |
-1.2192 |
H4 |
-1.2190 |
0.0000 |
-0.8620 |
|
-1.2190 |
-0.8620 |
0.0000 |
H5 |
1.2190 |
0.0000 |
-0.8620 |
|
1.2190 |
-0.8620 |
0.0000 |
Atom - Atom Distances (Å)
|
Si1 |
H2 |
H3 |
H4 |
H5 |
Si1 |
| 1.4933 |
1.4933 |
1.4929 |
1.4929 |
H2 |
1.4933 |
| 2.4385 |
2.4382 |
2.4382 |
H3 |
1.4933 |
2.4385 |
| 2.4382 |
2.4382 |
H4 |
1.4929 |
2.4382 |
2.4382 |
| 2.4379 |
H5 |
1.4929 |
2.4382 |
2.4382 |
2.4379 |
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Maximum atom distance is 2.4385Å
between atoms H2 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
D4 |
Si1 |
D5 |
109.471 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
H2 |
Si1 |
H3 |
109.471 |
|
H2 |
Si1 |
D4 |
109.471 |
H2 |
Si1 |
D5 |
109.471 |
|
H3 |
Si1 |
D4 |
109.471 |
H3 |
Si1 |
D5 |
109.471 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.