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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/STO-3G
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
-0.0423 |
-0.5864 |
0.0000 |
|
0.0011 |
-0.0423 |
-0.5864 |
N2 |
-0.0423 |
1.1988 |
0.0000 |
|
0.0011 |
-0.0423 |
1.1988 |
H3 |
1.2804 |
-1.1623 |
0.0000 |
|
-0.0339 |
1.2800 |
-1.1623 |
H4 |
-0.7295 |
-1.0338 |
1.1790 |
|
1.1979 |
-0.6980 |
-1.0338 |
H5 |
-0.7295 |
-1.0338 |
-1.1790 |
|
-1.1592 |
-0.7605 |
-1.0338 |
H6 |
0.5331 |
1.5239 |
-0.8188 |
|
-0.8326 |
0.5113 |
1.5239 |
H7 |
0.5331 |
1.5239 |
0.8188 |
|
0.8043 |
0.5547 |
1.5239 |
Atom - Atom Distances (Å)
|
Si1 |
N2 |
H3 |
H4 |
H5 |
H6 |
H7 |
Si1 |
| 1.7851 |
1.4426 |
1.4361 |
1.4361 |
2.3355 |
2.3355 |
N2 |
1.7851 |
| 2.7063 |
2.6166 |
2.6166 |
1.0522 |
1.0522 |
H3 |
1.4426 |
2.7063 |
| 2.3337 |
2.3337 |
2.9059 |
2.9059 |
H4 |
1.4361 |
2.6166 |
2.3337 |
| 2.3579 |
3.4824 |
2.8750 |
H5 |
1.4361 |
2.6166 |
2.3337 |
2.3579 |
| 2.8750 |
3.4824 |
H6 |
2.3355 |
1.0522 |
2.9059 |
3.4824 |
2.8750 |
| 1.6375 |
H7 |
2.3355 |
1.0522 |
2.9059 |
2.8750 |
3.4824 |
1.6375 |
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Maximum atom distance is 3.4824Å
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 |
107.999 |
|
Si1 |
N2 |
H7 |
107.999 |
N2 |
Si1 |
H3 |
113.530 |
|
N2 |
Si1 |
H4 |
108.153 |
N2 |
Si1 |
H5 |
108.153 |
|
H3 |
Si1 |
H4 |
108.322 |
H3 |
Si1 |
H5 |
108.322 |
|
H4 |
Si1 |
H5 |
110.358 |
H6 |
N2 |
H7 |
102.177 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.