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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

PBEPBE/6-31G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.6360 0.6983 0.0000   -0.0173 0.6358 0.6983
N2 0.0000 1.4996 0.0000   0.0000 0.0000 1.4996
N3 0.0000 -1.4996 0.0000   0.0000 0.0000 -1.4996
H4 0.0268 2.0567 0.8507   0.8497 0.0500 2.0567
H5 0.0268 2.0567 -0.8507   -0.8512 0.0037 2.0567
H6 -0.6360 -0.6983 0.0000   0.0173 -0.6358 -0.6983
H7 -0.0268 -2.0567 -0.8507   -0.8497 -0.0500 -2.0567
H8 -0.0268 -2.0567 0.8507   0.8512 -0.0037 -2.0567
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0230 2.2880 1.7147 1.7147 1.8891 2.9586 2.9586
N2 1.0230 2.9991 1.0173 1.0173 2.2880 3.6567 3.6567
N3 2.2880 2.9991 3.6567 3.6567 1.0230 1.0173 1.0173
H4 1.7147 1.0173 3.6567 1.7015 2.9586 4.4518 4.1138
H5 1.7147 1.0173 3.6567 1.7015 2.9586 4.1138 4.4518
H6 1.8891 2.2880 1.0230 2.9586 2.9586 1.7147 1.7147
H7 2.9586 3.6567 1.0173 4.4518 4.1138 1.7147 1.7015
H8 2.9586 3.6567 1.0173 4.1138 4.4518 1.7147 1.7015
Maximum atom distance is 4.4518Å 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 114.367 H1 N2 H5 114.367
H1 H3 N6 54.580 H1 H3 H7 122.238
H1 H3 H8 122.238 N2 H1 H3 125.420
H4 N2 H5 113.496 N6 H3 H7 114.367
N6 H3 H8 114.367 H7 H3 H8 113.496

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