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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=
CCSD(T)=FULL/TZVP
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 |
0.6079 |
0.6079 |
0.6079 |
|
0.6079 |
0.6079 |
0.6079 |
H3 |
-0.6079 |
-0.6079 |
0.6079 |
|
0.6079 |
-0.6079 |
-0.6079 |
H4 |
-0.6079 |
0.6079 |
-0.6079 |
|
-0.6079 |
0.6079 |
-0.6079 |
H5 |
0.6079 |
-0.6079 |
-0.6079 |
|
-0.6079 |
-0.6079 |
0.6079 |
Atom - Atom Distances (Å)
|
N1 |
H2 |
H3 |
H4 |
H5 |
N1 |
|
1.0529 |
1.0529 |
1.0529 |
1.0529 |
H2 |
1.0529 |
| 1.7194 |
1.7194 |
1.7194 |
H3 |
1.0529 |
1.7194 |
| 1.7194 |
1.7194 |
H4 |
1.0529 |
1.7194 |
1.7194 |
| 1.7194 |
H5 |
1.0529 |
1.7194 |
1.7194 |
1.7194 |
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Maximum atom distance is 1.7194Å
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.