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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 0.6735 0.7412 0.0000   -0.0166 0.6733 0.7412
N2 0.0000 1.5205 0.0000   0.0000 0.0000 1.5205
N3 0.0000 -1.5205 0.0000   0.0000 0.0000 -1.5205
H4 0.2384 2.0961 0.8167   0.8106 0.2585 2.0961
H5 0.2384 2.0961 -0.8167   -0.8224 0.2182 2.0961
H6 -0.6735 -0.7412 0.0000   0.0166 -0.6733 -0.7412
H7 -0.2384 -2.0961 -0.8167   -0.8106 -0.2585 -2.0961
H8 -0.2384 -2.0961 0.8167   0.8224 -0.2182 -2.0961
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0300 2.3599 1.6407 1.6407 2.0030 3.0901 3.0901
N2 1.0300 3.0411 1.0272 1.0272 2.3599 3.7153 3.7153
N3 2.3599 3.0411 3.7153 3.7153 1.0300 1.0272 1.0272
H4 1.6407 1.0272 3.7153 1.6335 3.0901 4.5244 4.2192
H5 1.6407 1.0272 3.7153 1.6335 3.0901 4.2192 4.5244
H6 2.0030 2.3599 1.0300 3.0901 3.0901 1.6407 1.6407
H7 3.0901 3.7153 1.0272 4.5244 4.2192 1.6407 1.6335
H8 3.0901 3.7153 1.0272 4.2192 4.5244 1.6407 1.6335
Maximum atom distance is 4.5244Å 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 105.792 H1 N2 H5 105.792
H1 H3 N6 57.416 H1 H3 H7 127.102
H1 H3 H8 127.102 N2 H1 H3 122.584
H4 N2 H5 105.329 N6 H3 H7 105.792
N6 H3 H8 105.792 H7 H3 H8 105.329

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