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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

HF/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.1686 0.7109 0.0000   0.7145 0.0000 0.1526
N2 -0.0251 1.6884 0.0000   1.6874 0.0000 -0.0630
N3 -0.0251 -1.6004 0.0000   -1.6006 0.0000 0.0109
H4 0.3218 2.1330 0.8153   2.1397 0.8153 0.2738
H5 0.3218 2.1330 -0.8153   2.1397 -0.8153 0.2738
H6 -1.0084 -1.4559 0.0000   -1.4781 0.0000 -0.9754
H7 0.2735 -2.0684 -0.8234   -2.0617 -0.8234 0.3198
H8 0.2735 -2.0684 0.8234   -2.0617 0.8234 0.3198
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 0.9965 2.3194 1.6464 1.6464 2.4658 2.9005 2.9005
N2 0.9965 3.2888 0.9913 0.9913 3.2944 3.8575 3.8575
N3 2.3194 3.2888 3.8371 3.8371 0.9939 0.9930 0.9930
H4 1.6464 0.9913 3.8371 1.6306 3.9133 4.5099 4.2017
H5 1.6464 0.9913 3.8371 1.6306 3.9133 4.2017 4.5099
H6 2.4658 3.2944 0.9939 3.9133 3.9133 1.6420 1.6420
H7 2.9005 3.8575 0.9930 4.5099 4.2017 1.6420 1.6467
H8 2.9005 3.8575 0.9930 4.2017 4.5099 1.6420 1.6467
Maximum atom distance is 4.5099Å 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 111.836 H1 N2 H5 111.836
H1 H3 N6 86.428 H1 H3 H7 116.393
H1 H3 H8 116.393 N2 H1 H3 164.003
H4 N2 H5 110.660 N6 H3 H7 111.468
N6 H3 H8 111.468 H7 H3 H8 112.027

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