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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=
B3LYPultrafine/cc-pVTZ
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
-0.0196 |
-0.5773 |
0.0000 |
|
0.0006 |
-0.0196 |
-0.5773 |
N2 |
-0.0196 |
1.1548 |
0.0000 |
|
0.0006 |
-0.0196 |
1.1548 |
H3 |
1.3198 |
-1.2355 |
0.0000 |
|
-0.0423 |
1.3192 |
-1.2355 |
H4 |
-0.7347 |
-1.0314 |
1.2182 |
|
1.2411 |
-0.6952 |
-1.0314 |
H5 |
-0.7347 |
-1.0314 |
-1.2182 |
|
-1.1940 |
-0.7733 |
-1.0314 |
H6 |
0.2801 |
1.6484 |
-0.8264 |
|
-0.8350 |
0.2535 |
1.6484 |
H7 |
0.2801 |
1.6484 |
0.8264 |
|
0.8170 |
0.3065 |
1.6484 |
Atom - Atom Distances (Å)
|
Si1 |
N2 |
H3 |
H4 |
H5 |
H6 |
H7 |
Si1 |
| 1.7322 |
1.4924 |
1.4838 |
1.4838 |
2.3930 |
2.3930 |
N2 |
1.7322 |
| 2.7400 |
2.6029 |
2.6029 |
1.0081 |
1.0081 |
H3 |
1.4924 |
2.7400 |
| 2.3972 |
2.3972 |
3.1750 |
3.1750 |
H4 |
1.4838 |
2.6029 |
2.3972 |
| 2.4364 |
3.5201 |
2.8921 |
H5 |
1.4838 |
2.6029 |
2.3972 |
2.4364 |
| 2.8921 |
3.5201 |
H6 |
2.3930 |
1.0081 |
3.1750 |
3.5201 |
2.8921 |
| 1.6529 |
H7 |
2.3930 |
1.0081 |
3.1750 |
2.8921 |
3.5201 |
1.6529 |
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Maximum atom distance is 3.5201Å
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 |
119.310 |
|
Si1 |
N2 |
H7 |
119.310 |
N2 |
Si1 |
H3 |
116.170 |
|
N2 |
Si1 |
H4 |
107.821 |
N2 |
Si1 |
H5 |
107.821 |
|
H3 |
Si1 |
H4 |
107.311 |
H3 |
Si1 |
H5 |
107.311 |
|
H4 |
Si1 |
H5 |
110.372 |
H6 |
N2 |
H7 |
110.119 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.