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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

HF/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.1663 0.6813 0.0000   0.6844 0.0000 0.1531
N2 -0.0230 1.6651 0.0000   1.6643 0.0000 -0.0553
N3 -0.0230 -1.5869 0.0000   -1.5870 0.0000 0.0078
H4 0.2882 2.1282 0.8281   2.1334 0.8281 0.2469
H5 0.2882 2.1282 -0.8281   2.1334 -0.8281 0.2469
H6 -1.0080 -1.4128 0.0000   -1.4321 0.0000 -0.9804
H7 0.2937 -2.0361 -0.8355   -2.0300 -0.8355 0.3332
H8 0.2937 -2.0361 0.8355   -2.0300 0.8355 0.3332
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0018 2.2761 1.6715 1.6715 2.4009 2.8458 2.8458
N2 1.0018 3.2520 0.9985 0.9985 3.2317 3.8075 3.8075
N3 2.2761 3.2520 3.8189 3.8189 1.0003 1.0001 1.0001
H4 1.6715 0.9985 3.8189 1.6561 3.8606 4.4842 4.1643
H5 1.6715 0.9985 3.8189 1.6561 3.8606 4.1643 4.4842
H6 2.4009 3.2317 1.0003 3.8606 3.8606 1.6677 1.6677
H7 2.8458 3.8075 1.0001 4.4842 4.1643 1.6677 1.6709
H8 2.8458 3.8075 1.0001 4.1643 4.4842 1.6677 1.6709
Maximum atom distance is 4.4842Å 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 113.361 H1 N2 H5 113.361
H1 H3 N6 84.747 H1 H3 H7 114.913
H1 H3 H8 114.913 N2 H1 H3 164.335
H4 N2 H5 112.057 N6 H3 H7 112.960
N6 H3 H8 112.960 H7 H3 H8 113.321

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