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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

CISD/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.6642 0.8189 0.0000   -0.0106 0.6641 0.8189
N2 0.0000 1.5864 0.0000   0.0000 0.0000 1.5864
N3 0.0000 -1.5864 0.0000   0.0000 0.0000 -1.5864
H4 0.2105 2.1565 0.8121   0.8086 0.2234 2.1565
H5 0.2105 2.1565 -0.8121   -0.8153 0.1975 2.1565
H6 -0.6642 -0.8189 0.0000   0.0106 -0.6641 -0.8189
H7 -0.2105 -2.1565 -0.8121   -0.8086 -0.2234 -2.1565
H8 -0.2105 -2.1565 0.8121   0.8153 -0.1975 -2.1565
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0150 2.4953 1.6292 1.6292 2.1088 3.2058 3.2058
N2 1.0150 3.1728 1.0143 1.0143 2.4953 3.8357 3.8357
N3 2.4953 3.1728 3.8357 3.8357 1.0150 1.0143 1.0143
H4 1.6292 1.0143 3.8357 1.6241 3.2058 4.6278 4.3334
H5 1.6292 1.0143 3.8357 1.6241 3.2058 4.3334 4.6278
H6 2.1088 2.4953 1.0150 3.2058 3.2058 1.6292 1.6292
H7 3.2058 3.8357 1.0143 4.6278 4.3334 1.6292 1.6241
H8 3.2058 3.8357 1.0143 4.3334 4.6278 1.6292 1.6241
Maximum atom distance is 4.6278Å 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 106.810 H1 N2 H5 106.810
H1 H3 N6 56.310 H1 H3 H7 126.655
H1 H3 H8 126.655 N2 H1 H3 123.690
H4 N2 H5 106.385 N6 H3 H7 106.810
N6 H3 H8 106.810 H7 H3 H8 106.385

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