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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

QCISD/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.6473 0.6994 0.0000   -0.0219 0.6469 0.6994
N2 0.0000 1.4942 0.0000   0.0000 0.0000 1.4942
N3 0.0000 -1.4942 0.0000   0.0000 0.0000 -1.4942
H4 0.1430 2.0686 0.8363   0.8309 0.1712 2.0686
H5 0.1430 2.0686 -0.8363   -0.8406 0.1147 2.0686
H6 -0.6473 -0.6994 0.0000   0.0219 -0.6469 -0.6994
H7 -0.1430 -2.0686 -0.8363   -0.8309 -0.1712 -2.0686
H8 -0.1430 -2.0686 0.8363   0.8406 -0.1147 -2.0686
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0250 2.2871 1.6818 1.6818 1.9060 2.9977 2.9977
N2 1.0250 2.9884 1.0246 1.0246 2.2871 3.6624 3.6624
N3 2.2871 2.9884 3.6624 3.6624 1.0250 1.0246 1.0246
H4 1.6818 1.0246 3.6624 1.6725 2.9977 4.4717 4.1471
H5 1.6818 1.0246 3.6624 1.6725 2.9977 4.1471 4.4717
H6 1.9060 2.2871 1.0250 2.9977 2.9977 1.6818 1.6818
H7 2.9977 3.6624 1.0246 4.4717 4.1471 1.6818 1.6725
H8 2.9977 3.6624 1.0246 4.1471 4.4717 1.6818 1.6725
Maximum atom distance is 4.4717Å 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 110.276 H1 N2 H5 110.276
H1 H3 N6 55.602 H1 H3 H7 125.257
H1 H3 H8 125.257 N2 H1 H3 124.398
H4 N2 H5 109.412 N6 H3 H7 110.276
N6 H3 H8 110.276 H7 H3 H8 109.412

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