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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 SiH3NH2 (Silane, amino)
1A' CS
1910171554
InChI=1S/H5NSi/c1-2/h1H2,2H3 INChIKey=
MP2/cc-pVDZ
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
-0.0286 |
-0.5821 |
0.0000 |
|
-0.5827 |
0.0000 |
-0.0086 |
N2 |
-0.0286 |
1.1783 |
0.0000 |
|
1.1766 |
0.0000 |
-0.0689 |
H3 |
1.3093 |
-1.2517 |
0.0000 |
|
-1.2061 |
0.0000 |
1.3514 |
H4 |
-0.7517 |
-1.0296 |
1.2202 |
|
-1.0548 |
1.2202 |
-0.7160 |
H5 |
-0.7517 |
-1.0296 |
-1.2202 |
|
-1.0548 |
-1.2202 |
-0.7160 |
H6 |
0.3971 |
1.6060 |
-0.8230 |
|
1.6187 |
-0.8230 |
0.3418 |
H7 |
0.3971 |
1.6060 |
0.8230 |
|
1.6187 |
0.8230 |
0.3418 |
Atom - Atom Distances (Å)
|
Si1 |
N2 |
H3 |
H4 |
H5 |
H6 |
H7 |
Si1 |
| 1.7604 |
1.4961 |
1.4874 |
1.4874 |
2.3762 |
2.3762 |
N2 |
1.7604 |
| 2.7739 |
2.6243 |
2.6243 |
1.0205 |
1.0205 |
H3 |
1.4961 |
2.7739 |
| 2.4055 |
2.4055 |
3.1106 |
3.1106 |
H4 |
1.4874 |
2.6243 |
2.4055 |
| 2.4405 |
3.5272 |
2.9024 |
H5 |
1.4874 |
2.6243 |
2.4055 |
2.4405 |
| 2.9024 |
3.5272 |
H6 |
2.3762 |
1.0205 |
3.1106 |
3.5272 |
2.9024 |
| 1.6460 |
H7 |
2.3762 |
1.0205 |
3.1106 |
2.9024 |
3.5272 |
1.6460 |
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Maximum atom distance is 3.5272Å
between atoms H4 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 |
N2 |
H6 |
114.779 |
|
Si1 |
N2 |
H7 |
114.779 |
N2 |
Si1 |
H3 |
116.589 |
|
N2 |
Si1 |
H4 |
107.512 |
N2 |
Si1 |
H5 |
107.512 |
|
H3 |
Si1 |
H4 |
107.464 |
H3 |
Si1 |
H5 |
107.464 |
|
H4 |
Si1 |
H5 |
110.250 |
H6 |
N2 |
H7 |
107.504 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.