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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

HF/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.1681 0.7165 0.0000   0.7202 0.0000 0.1515
N2 -0.0252 1.6919 0.0000   1.6908 0.0000 -0.0643
N3 -0.0252 -1.6032 0.0000   -1.6033 0.0000 0.0118
H4 0.3258 2.1336 0.8126   2.1405 0.8126 0.2764
H5 0.3258 2.1336 -0.8126   2.1405 -0.8126 0.2764
H6 -1.0064 -1.4591 0.0000   -1.4819 0.0000 -0.9725
H7 0.2700 -2.0727 -0.8212   -2.0659 -0.8212 0.3178
H8 0.2700 -2.0727 0.8212   -2.0659 0.8212 0.3178
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 0.9943 2.3277 1.6411 1.6411 2.4724 2.9093 2.9093
N2 0.9943 3.2950 0.9893 0.9893 3.3002 3.8643 3.8643
N3 2.3277 3.2950 3.8402 3.8402 0.9917 0.9909 0.9909
H4 1.6411 0.9893 3.8402 1.6252 3.9169 4.5127 4.2066
H5 1.6411 0.9893 3.8402 1.6252 3.9169 4.2066 4.5127
H6 2.4724 3.3002 0.9917 3.9169 3.9169 1.6371 1.6371
H7 2.9093 3.8643 0.9909 4.5127 4.2066 1.6371 1.6424
H8 2.9093 3.8643 0.9909 4.2066 4.5127 1.6371 1.6424
Maximum atom distance is 4.5127Å 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 111.655 H1 N2 H5 111.655
H1 H3 N6 86.408 H1 H3 H7 116.576
H1 H3 H8 116.576 N2 H1 H3 164.024
H4 N2 H5 110.452 N6 H3 H7 111.325
N6 H3 H8 111.325 H7 H3 H8 111.933

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