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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

PBEPBE_cp/aug-cc-pVTZ


Point group is C2h
Atom Internal
x (Å) y (Å) z (Å)
H1 0.6938 0.8363 0.0000
N2 0.0000 1.5894 0.0000
N3 0.0000 -1.5894 0.0000
H4 0.1955 2.1703 0.8175
H5 0.1955 2.1703 -0.8175
H6 -0.6938 -0.8363 0.0000
H7 -0.1955 -2.1703 -0.8175
H8 -0.1955 -2.1703 0.8175
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0240 2.5230 1.6420 1.6420 2.1733 3.2402 3.2402
N2 1.0240 3.1789 1.0217 1.0217 2.5230 3.8526 3.8526
N3 2.5230 3.1789 3.8526 3.8526 1.0240 1.0217 1.0217
H4 1.6420 1.0217 3.8526 1.6350 3.2402 4.6548 4.3582
H5 1.6420 1.0217 3.8526 1.6350 3.2402 4.3582 4.6548
H6 2.1733 2.5230 1.0240 3.2402 3.2402 1.6420 1.6420
H7 3.2402 3.8526 1.0217 4.6548 4.3582 1.6420 1.6350
H8 3.2402 3.8526 1.0217 4.3582 4.6548 1.6420 1.6350
Maximum atom distance is 4.6548Å 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.