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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

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


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.1983 0.8269 0.0000   0.8313 0.0000 0.1788
N2 -0.0268 1.8018 0.0000   1.8007 0.0000 -0.0692
N3 -0.0268 -1.6943 0.0000   -1.6944 0.0000 0.0130
H4 0.3882 2.2188 0.8069   2.2273 0.8069 0.3360
H5 0.3882 2.2188 -0.8069   2.2273 -0.8069 0.3360
H6 -1.0159 -1.5527 0.0000   -1.5761 0.0000 -0.9791
H7 0.2083 -2.2323 -0.8079   -2.2268 -0.8079 0.2607
H8 0.2083 -2.2323 0.8079   -2.2268 0.8079 0.2607
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0006 2.5312 1.6201 1.6201 2.6714 3.1641 3.1641
N2 1.0006 3.4961 0.9986 0.9986 3.4972 4.1209 4.1209
N3 2.5312 3.4961 4.0169 4.0169 0.9992 0.9987 0.9987
H4 1.6201 0.9986 4.0169 1.6137 4.1045 4.7384 4.4548
H5 1.6201 0.9986 4.0169 1.6137 4.1045 4.4548 4.7384
H6 2.6714 3.4972 0.9992 4.1045 4.1045 1.6166 1.6166
H7 3.1641 4.1209 0.9987 4.7384 4.4548 1.6166 1.6158
H8 3.1641 4.1209 0.9987 4.4548 4.7384 1.6166 1.6158
Maximum atom distance is 4.7384Å 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 108.265 H1 N2 H5 108.265
H1 H3 N6 86.955 H1 H3 H7 121.040
H1 H3 H8 121.040 N2 H1 H3 161.896
H4 N2 H5 107.799 N6 H3 H7 108.023
N6 H3 H8 108.023 H7 H3 H8 107.984

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