return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

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
Maximum atom distance is 1.7194Å between atoms H2 and H3.
picture of Ammonium radical
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.