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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=
CID/3-21G*
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
-0.0012 |
-0.5738 |
0.0000 |
|
0.0000 |
-0.0012 |
-0.5738 |
N2 |
-0.0012 |
1.1408 |
0.0000 |
|
0.0000 |
-0.0012 |
1.1408 |
H3 |
1.3329 |
-1.2384 |
0.0000 |
|
-0.0209 |
1.3328 |
-1.2384 |
H4 |
-0.7143 |
-1.0516 |
1.2128 |
|
1.2238 |
-0.6953 |
-1.0516 |
H5 |
-0.7143 |
-1.0516 |
-1.2128 |
|
-1.2015 |
-0.7332 |
-1.0516 |
H6 |
0.0608 |
1.6946 |
-0.8456 |
|
-0.8465 |
0.0475 |
1.6946 |
H7 |
0.0608 |
1.6946 |
0.8456 |
|
0.8446 |
0.0740 |
1.6946 |
Atom - Atom Distances (Å)
|
Si1 |
N2 |
H3 |
H4 |
H5 |
H6 |
H7 |
Si1 |
| 1.7147 |
1.4905 |
1.4858 |
1.4858 |
2.4217 |
2.4217 |
N2 |
1.7147 |
| 2.7278 |
2.6050 |
2.6050 |
1.0127 |
1.0127 |
H3 |
1.4905 |
2.7278 |
| 2.3869 |
2.3869 |
3.3070 |
3.3070 |
H4 |
1.4858 |
2.6050 |
2.3869 |
| 2.4256 |
3.5184 |
2.8770 |
H5 |
1.4858 |
2.6050 |
2.3869 |
2.4256 |
| 2.8770 |
3.5184 |
H6 |
2.4217 |
1.0127 |
3.3070 |
3.5184 |
2.8770 |
| 1.6912 |
H7 |
2.4217 |
1.0127 |
3.3070 |
2.8770 |
3.5184 |
1.6912 |
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Maximum atom distance is 3.5184Å
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 |
123.148 |
|
Si1 |
N2 |
H7 |
123.148 |
N2 |
Si1 |
H3 |
116.479 |
|
N2 |
Si1 |
H4 |
108.756 |
N2 |
Si1 |
H5 |
108.756 |
|
H3 |
Si1 |
H4 |
106.632 |
H3 |
Si1 |
H5 |
106.632 |
|
H4 |
Si1 |
H5 |
109.423 |
H6 |
N2 |
H7 |
113.235 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.