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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 NH3S (sulfidoazane)
1A1 C3V
1910171554
InChI=1S/H3NS/c1-2/h1H3 INChIKey=
M06-2X/6-311+G(3df,2p)
Point group is C3v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
N1 |
0.0000 |
0.0000 |
-1.0802 |
S2 |
0.0000 |
0.0000 |
0.7418 |
H3 |
0.0000 |
0.9522 |
-1.4360 |
H4 |
0.8246 |
-0.4761 |
-1.4360 |
H5 |
-0.8246 |
-0.4761 |
-1.4360 |
Atom - Atom Distances (Å)
|
N1 |
S2 |
H3 |
H4 |
H5 |
N1 |
| 1.8220 |
1.0165 |
1.0165 |
1.0165 |
S2 |
1.8220 |
| 2.3769 |
2.3769 |
2.3769 |
H3 |
1.0165 |
2.3769 |
| 1.6492 |
1.6492 |
H4 |
1.0165 |
2.3769 |
1.6492 |
| 1.6492 |
H5 |
1.0165 |
2.3769 |
1.6492 |
1.6492 |
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Maximum atom distance is 2.3769Å
between atoms S2 and H3.
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 |
S2 |
N1 |
H3 |
110.486 |
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S2 |
N1 |
H4 |
110.486 |
S2 |
N1 |
H5 |
110.486 |
|
H3 |
N1 |
H4 |
108.437 |
H3 |
N1 |
H5 |
108.437 |
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H4 |
N1 |
H5 |
108.437 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.