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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

HSEh1PBE/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.6754 0.7804 0.0000   -0.0206 0.6750 0.7804
N2 0.0000 1.5408 0.0000   0.0000 0.0000 1.5408
N3 0.0000 -1.5408 0.0000   0.0000 0.0000 -1.5408
H4 0.2157 2.1132 0.8092   0.8023 0.2402 2.1132
H5 0.2157 2.1132 -0.8092   -0.8154 0.1909 2.1132
H6 -0.6754 -0.7804 0.0000   0.0206 -0.6750 -0.7804
H7 -0.2157 -2.1132 -0.8092   -0.8023 -0.2402 -2.1132
H8 -0.2157 -2.1132 0.8092   0.8154 -0.1909 -2.1132
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0170 2.4175 1.6256 1.6256 2.0641 3.1339 3.1339
N2 1.0170 3.0816 1.0144 1.0144 2.4175 3.7487 3.7487
N3 2.4175 3.0816 3.7487 3.7487 1.0170 1.0144 1.0144
H4 1.6256 1.0144 3.7487 1.6185 3.1339 4.5462 4.2483
H5 1.6256 1.0144 3.7487 1.6185 3.1339 4.2483 4.5462
H6 2.0641 2.4175 1.0170 3.1339 3.1339 1.6256 1.6256
H7 3.1339 3.7487 1.0144 4.5462 4.2483 1.6256 1.6185
H8 3.1339 3.7487 1.0144 4.2483 4.5462 1.6256 1.6185
Maximum atom distance is 4.5462Å 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 106.302 H1 N2 H5 106.302
H1 H3 N6 57.832 H1 H3 H7 126.954
H1 H3 H8 126.954 N2 H1 H3 122.168
H4 N2 H5 105.833 N6 H3 H7 106.302
N6 H3 H8 106.302 H7 H3 H8 105.833

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