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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

B3LYPultrafine_cp/6-31G*


Point group is C2h
Atom Internal
x (Å) y (Å) z (Å)
H1 0.6655 0.7763 0.0000
N2 0.0000 1.5502 0.0000
N3 0.0000 -1.5502 0.0000
H4 0.2231 2.1220 0.8139
H5 0.2231 2.1220 -0.8139
H6 -0.6655 -0.7763 0.0000
H7 -0.2231 -2.1220 -0.8139
H8 -0.2231 -2.1220 0.8139
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0207 2.4198 1.6337 1.6337 2.0450 3.1388 3.1388
N2 1.0207 3.1004 1.0194 1.0194 2.4198 3.7679 3.7679
N3 2.4198 3.1004 3.7679 3.7679 1.0207 1.0194 1.0194
H4 1.6337 1.0194 3.7679 1.6278 3.1388 4.5673 4.2673
H5 1.6337 1.0194 3.7679 1.6278 3.1388 4.2673 4.5673
H6 2.0450 2.4198 1.0207 3.1388 3.1388 1.6337 1.6337
H7 3.1388 3.7679 1.0194 4.5673 4.2673 1.6337 1.6278
H8 3.1388 3.7679 1.0194 4.2673 4.5673 1.6337 1.6278
Maximum atom distance is 4.5673Å 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.