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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

B3LYPultrafine_cp/6-311+G(3df,2pd)


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
H1 0.1530 0.7174 0.0000
N2 -0.0331 1.7183 0.0000
N3 -0.0331 -1.5945 0.0000
H4 0.4211 2.1150 0.8143
H5 0.4211 2.1150 -0.8143
H6 -1.0466 -1.5729 0.0000
H7 0.2574 -2.1206 -0.8159
H8 0.2574 -2.1206 0.8159
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0180 2.3193 1.6396 1.6396 2.5854 2.9547 2.9547
N2 1.0180 3.3127 1.0132 1.0132 3.4436 3.9353 3.9353
N3 2.3193 3.3127 3.8248 3.8248 1.0137 1.0133 1.0133
H4 1.6396 1.0132 3.8248 1.6285 4.0518 4.5414 4.2387
H5 1.6396 1.0132 3.8248 1.6285 4.0518 4.2387 4.5414
H6 2.5854 3.4436 1.0137 4.0518 4.0518 1.6328 1.6328
H7 2.9547 3.9353 1.0133 4.5414 4.2387 1.6328 1.6318
H8 2.9547 3.9353 1.0133 4.2387 4.5414 1.6328 1.6318
Maximum atom distance is 4.5414Å 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.