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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

HF_cp_opt/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.2065 0.8324 0.0000   0.8370 0.0000 0.1868
N2 -0.0262 1.8053 0.0000   1.8042 0.0000 -0.0687
N3 -0.0262 -1.6993 0.0000   -1.6994 0.0000 0.0137
H4 0.3853 2.2257 0.8069   2.2341 0.8069 0.3329
H5 0.3853 2.2257 -0.8069   2.2341 -0.8069 0.3329
H6 -1.0134 -1.5450 0.0000   -1.5684 0.0000 -0.9768
H7 0.2018 -2.2404 -0.8079   -2.2350 -0.8079 0.2544
H8 0.2018 -2.2404 0.8079   -2.2350 0.8079 0.2544
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0003 2.5424 1.6200 1.6200 2.6721 3.1772 3.1772
N2 1.0003 3.5046 0.9986 0.9986 3.4927 4.1318 4.1318
N3 2.5424 3.5046 4.0281 4.0281 0.9992 0.9987 0.9987
H4 1.6200 0.9986 4.0281 1.6138 4.1019 4.7526 4.4698
H5 1.6200 0.9986 4.0281 1.6138 4.1019 4.4698 4.7526
H6 2.6721 3.4927 0.9992 4.1019 4.1019 1.6165 1.6165
H7 3.1772 4.1318 0.9987 4.7526 4.4698 1.6165 1.6158
H8 3.1772 4.1318 0.9987 4.4698 4.7526 1.6165 1.6158
Maximum atom distance is 4.7526Å 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
H1 N2 H4 108.273 H1 N2 H5 108.273
H1 H3 N6 86.367 H1 H3 H7 121.238
H1 H3 H8 121.238 N2 H1 H3 161.295
H4 N2 H5 107.805 N6 H3 H7 108.016
N6 H3 H8 108.016 H7 H3 H8 107.981

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