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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=
MP2/6-311G**
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
-0.0187 |
-0.5765 |
0.0000 |
|
-0.5768 |
0.0000 |
-0.0054 |
N2 |
-0.0187 |
1.1514 |
0.0000 |
|
1.1507 |
0.0000 |
-0.0452 |
H3 |
1.3077 |
-1.2399 |
0.0000 |
|
-1.2095 |
0.0000 |
1.3359 |
H4 |
-0.7307 |
-1.0246 |
1.2123 |
|
-1.0412 |
1.2123 |
-0.7070 |
H5 |
-0.7307 |
-1.0246 |
-1.2123 |
|
-1.0412 |
-1.2123 |
-0.7070 |
H6 |
0.2731 |
1.6503 |
-0.8267 |
|
1.6561 |
-0.8267 |
0.2351 |
H7 |
0.2731 |
1.6503 |
0.8267 |
|
1.6561 |
0.8267 |
0.2351 |
Atom - Atom Distances (Å)
|
Si1 |
N2 |
H3 |
H4 |
H5 |
H6 |
H7 |
Si1 |
| 1.7279 |
1.4831 |
1.4756 |
1.4756 |
2.3932 |
2.3932 |
N2 |
1.7279 |
| 2.7345 |
2.5907 |
2.5907 |
1.0087 |
1.0087 |
H3 |
1.4831 |
2.7345 |
| 2.3815 |
2.3815 |
3.1792 |
3.1792 |
H4 |
1.4756 |
2.5907 |
2.3815 |
| 2.4245 |
3.5100 |
2.8830 |
H5 |
1.4756 |
2.5907 |
2.3815 |
2.4245 |
| 2.8830 |
3.5100 |
H6 |
2.3932 |
1.0087 |
3.1792 |
3.5100 |
2.8830 |
| 1.6535 |
H7 |
2.3932 |
1.0087 |
3.1792 |
2.8830 |
3.5100 |
1.6535 |
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Maximum atom distance is 3.5100Å
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 |
119.641 |
|
Si1 |
N2 |
H7 |
119.641 |
N2 |
Si1 |
H3 |
116.571 |
|
N2 |
Si1 |
H4 |
107.678 |
N2 |
Si1 |
H5 |
107.678 |
|
H3 |
Si1 |
H4 |
107.202 |
H3 |
Si1 |
H5 |
107.202 |
|
H4 |
Si1 |
H5 |
110.478 |
H6 |
N2 |
H7 |
110.085 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.