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 NH3NH3 (Ammonia Dimer)

1910171554

HF_cp/aug-cc-pVTZ


Point group is C2h
Atom Internal
x (Å) y (Å) z (Å)
H1 0.6752 0.9753 0.0000
N2 0.0000 1.7124 0.0000
N3 0.0000 -1.7124 0.0000
H4 0.1565 2.2789 0.8074
H5 0.1565 2.2789 -0.8074
H6 -0.6752 -0.9753 0.0000
H7 -0.1565 -2.2789 -0.8074
H8 -0.1565 -2.2789 0.8074
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 0.9996 2.7712 1.6188 1.6188 2.3724 3.4545 3.4545
N2 0.9996 3.4249 0.9987 0.9987 2.7712 4.0752 4.0752
N3 2.7712 3.4249 4.0752 4.0752 0.9996 0.9987 0.9987
H4 1.6188 0.9987 4.0752 1.6149 3.4545 4.8456 4.5686
H5 1.6188 0.9987 4.0752 1.6149 3.4545 4.5686 4.8456
H6 2.3724 2.7712 0.9996 3.4545 3.4545 1.6188 1.6188
H7 3.4545 4.0752 0.9987 4.8456 4.5686 1.6188 1.6149
H8 3.4545 4.0752 0.9987 4.5686 4.8456 1.6188 1.6149
Maximum atom distance is 4.8456Å between atoms H4 and H7.
picture of Ammonia Dimer
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

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.