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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

PBEPBEultrafine/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.6729 0.7412 0.0000   -0.0195 0.6726 0.7412
N2 0.0000 1.5210 0.0000   0.0000 0.0000 1.5210
N3 0.0000 -1.5210 0.0000   0.0000 0.0000 -1.5210
H4 0.2389 2.0963 0.8167   0.8095 0.2625 2.0963
H5 0.2389 2.0963 -0.8167   -0.8233 0.2152 2.0963
H6 -0.6729 -0.7412 0.0000   0.0195 -0.6726 -0.7412
H7 -0.2389 -2.0963 -0.8167   -0.8095 -0.2625 -2.0963
H8 -0.2389 -2.0963 0.8167   0.8233 -0.2152 -2.0963
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0300 2.3601 1.6406 1.6406 2.0022 3.0903 3.0903
N2 1.0300 3.0420 1.0272 1.0272 2.3601 3.7160 3.7160
N3 2.3601 3.0420 3.7160 3.7160 1.0300 1.0272 1.0272
H4 1.6406 1.0272 3.7160 1.6335 3.0903 4.5248 4.2197
H5 1.6406 1.0272 3.7160 1.6335 3.0903 4.2197 4.5248
H6 2.0022 2.3601 1.0300 3.0903 3.0903 1.6406 1.6406
H7 3.0903 3.7160 1.0272 4.5248 4.2197 1.6406 1.6335
H8 3.0903 3.7160 1.0272 4.2197 4.5248 1.6406 1.6335
Maximum atom distance is 4.5248Å 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 105.786 H1 N2 H5 105.786
H1 H3 N6 57.358 H1 H3 H7 127.095
H1 H3 H8 127.095 N2 H1 H3 122.642
H4 N2 H5 105.333 N6 H3 H7 105.786
N6 H3 H8 105.786 H7 H3 H8 105.333

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