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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=
B2PLYP=FULL/3-21G
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
-0.0001 |
-0.5857 |
0.0000 |
|
0.0000 |
-0.0001 |
-0.5857 |
N2 |
-0.0001 |
1.1659 |
0.0000 |
|
0.0000 |
-0.0001 |
1.1659 |
H3 |
1.3428 |
-1.2612 |
0.0000 |
|
-0.0329 |
1.3424 |
-1.2612 |
H4 |
-0.7262 |
-1.0652 |
1.2190 |
|
1.2364 |
-0.6961 |
-1.0652 |
H5 |
-0.7262 |
-1.0652 |
-1.2190 |
|
-1.2009 |
-0.7558 |
-1.0652 |
H6 |
0.0554 |
1.7151 |
-0.8484 |
|
-0.8495 |
0.0346 |
1.7151 |
H7 |
0.0554 |
1.7151 |
0.8484 |
|
0.8468 |
0.0762 |
1.7151 |
Atom - Atom Distances (Å)
|
Si1 |
N2 |
H3 |
H4 |
H5 |
H6 |
H7 |
Si1 |
| 1.7516 |
1.5031 |
1.4977 |
1.4977 |
2.4529 |
2.4529 |
N2 |
1.7516 |
| 2.7738 |
2.6441 |
2.6441 |
1.0122 |
1.0122 |
H3 |
1.5031 |
2.7738 |
| 2.4093 |
2.4093 |
3.3519 |
3.3519 |
H4 |
1.4977 |
2.6441 |
2.4093 |
| 2.4380 |
3.5518 |
2.9118 |
H5 |
1.4977 |
2.6441 |
2.4093 |
2.4380 |
| 2.9118 |
3.5518 |
H6 |
2.4529 |
1.0122 |
3.3519 |
3.5518 |
2.9118 |
| 1.6967 |
H7 |
2.4529 |
1.0122 |
3.3519 |
2.9118 |
3.5518 |
1.6967 |
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Maximum atom distance is 3.5518Å
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 |
122.864 |
|
Si1 |
N2 |
H7 |
122.864 |
N2 |
Si1 |
H3 |
116.703 |
|
N2 |
Si1 |
H4 |
108.671 |
N2 |
Si1 |
H5 |
108.671 |
|
H3 |
Si1 |
H4 |
106.814 |
H3 |
Si1 |
H5 |
106.814 |
|
H4 |
Si1 |
H5 |
108.960 |
H6 |
N2 |
H7 |
113.896 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.