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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 NH4 (Ammonium radical)
2A1 TD
1910171554
InChI=1S/H4N/h1H4 INChIKey=
PBEPBEultrafine/cc-pVTZ
Point group is Td
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0000 |
0.0000 |
0.0000 |
|
0.0000 |
0.0000 |
0.0000 |
H2 |
0.6155 |
0.6155 |
0.6155 |
|
0.5778 |
0.8018 |
0.3998 |
H3 |
-0.6155 |
-0.6155 |
0.6155 |
|
-0.9638 |
0.3609 |
-0.2785 |
H4 |
-0.6155 |
0.6155 |
-0.6155 |
|
0.4915 |
-0.3991 |
-0.8577 |
H5 |
0.6155 |
-0.6155 |
-0.6155 |
|
-0.1056 |
-0.7636 |
0.7365 |
Atom - Atom Distances (Å)
|
N1 |
H2 |
H3 |
H4 |
H5 |
N1 |
|
1.0661 |
1.0661 |
1.0661 |
1.0661 |
H2 |
1.0661 |
| 1.7409 |
1.7409 |
1.7409 |
H3 |
1.0661 |
1.7409 |
| 1.7409 |
1.7409 |
H4 |
1.0661 |
1.7409 |
1.7409 |
| 1.7409 |
H5 |
1.0661 |
1.7409 |
1.7409 |
1.7409 |
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Maximum atom distance is 1.7409Å
between atoms H2 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 |
H2 |
N1 |
H3 |
109.471 |
|
H2 |
N1 |
H4 |
109.471 |
H2 |
N1 |
H5 |
109.471 |
|
H3 |
N1 |
H4 |
109.471 |
H3 |
N1 |
H5 |
109.471 |
|
H4 |
N1 |
H5 |
109.471 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.