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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

HF_cp_opt/6-311+G(3df,2pd)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.1992 0.8355 0.0000   0.8400 0.0000 0.1796
N2 -0.0267 1.8103 0.0000   1.8091 0.0000 -0.0691
N3 -0.0267 -1.7028 0.0000   -1.7030 0.0000 0.0132
H4 0.3878 2.2277 0.8070   2.2362 0.8070 0.3356
H5 0.3878 2.2277 -0.8070   2.2362 -0.8070 0.3356
H6 -1.0157 -1.5600 0.0000   -1.5833 0.0000 -0.9789
H7 0.2074 -2.2415 -0.8079   -2.2361 -0.8079 0.2598
H8 0.2074 -2.2415 0.8079   -2.2361 0.8079 0.2598
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0006 2.5484 1.6202 1.6202 2.6860 3.1814 3.1814
N2 1.0006 3.5131 0.9987 0.9987 3.5123 4.1382 4.1382
N3 2.5484 3.5131 4.0339 4.0339 0.9993 0.9988 0.9988
H4 1.6202 0.9987 4.0339 1.6140 4.1192 4.7555 4.4729
H5 1.6202 0.9987 4.0339 1.6140 4.1192 4.4729 4.7555
H6 2.6860 3.5123 0.9993 4.1192 4.1192 1.6165 1.6165
H7 3.1814 4.1382 0.9988 4.7555 4.4729 1.6165 1.6158
H8 3.1814 4.1382 0.9988 4.4729 4.7555 1.6165 1.6158
Maximum atom distance is 4.7555Å 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 108.270 H1 N2 H5 108.270
H1 H3 N6 86.866 H1 H3 H7 121.092
H1 H3 H8 121.092 N2 H1 H3 161.862
H4 N2 H5 107.811 N6 H3 H7 108.004
N6 H3 H8 108.004 H7 H3 H8 107.963

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