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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

B3LYPultrafine_cp/aug-cc-pVTZ


Point group is C2h
Atom Internal
x (Å) y (Å) z (Å)
H1 0.6847 0.8682 0.0000
N2 0.0000 1.6171 0.0000
N3 0.0000 -1.6171 0.0000
H4 0.1766 2.1926 0.8149
H5 0.1766 2.1926 -0.8149
H6 -0.6847 -0.8682 0.0000
H7 -0.1766 -2.1926 -0.8149
H8 -0.1766 -2.1926 0.8149
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0147 2.5780 1.6359 1.6359 2.2115 3.2824 3.2824
N2 1.0147 3.2343 1.0131 1.0131 2.5780 3.8999 3.8999
N3 2.5780 3.2343 3.8999 3.8999 1.0147 1.0131 1.0131
H4 1.6359 1.0131 3.8999 1.6299 3.2824 4.6915 4.3993
H5 1.6359 1.0131 3.8999 1.6299 3.2824 4.3993 4.6915
H6 2.2115 2.5780 1.0147 3.2824 3.2824 1.6359 1.6359
H7 3.2824 3.8999 1.0131 4.6915 4.3993 1.6359 1.6299
H8 3.2824 3.8999 1.0131 4.3993 4.6915 1.6359 1.6299
Maximum atom distance is 4.6915Å 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

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