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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

HF_cp_opt/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -2.2027 -0.8048 0.0776   0.1465 -2.1992 -0.8048
N2 -1.6254 0.0000 -0.0792   -0.0283 -1.6271 0.0000
N3 1.6254 -0.0000 0.0792   0.0283 1.6271 -0.0000
H4 -2.2027 0.8048 0.0776   0.1465 -2.1992 0.8048
H5 -0.9033 0.0000 0.6191   0.6471 -0.8835 0.0000
H6 2.2026 0.8049 -0.0778   -0.1467 2.1991 0.8049
H7 2.2028 -0.8047 -0.0777   -0.1466 2.1993 -0.8047
H8 0.9031 -0.0001 -0.6189   -0.6468 0.8833 -0.0001
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0028 3.9118 1.6096 1.6216 4.6927 4.4082 3.2830
N2 1.0028 3.2546 1.0028 1.0045 3.9117 3.9118 2.5854
N3 3.9118 3.2546 3.9118 2.5857 1.0028 1.0028 1.0045
H4 1.6096 1.0028 3.9118 1.6216 4.4081 4.6929 3.2831
H5 1.6216 1.0045 2.5857 1.6216 3.2833 3.2834 2.1899
H6 4.6927 3.9117 1.0028 4.4081 3.2833 1.6096 1.6216
H7 4.4082 3.9118 1.0028 4.6929 3.2834 1.6096 1.6216
H8 3.2830 2.5854 1.0045 3.2831 2.1899 1.6216 1.6216
Maximum atom distance is 4.6929Å 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 106.749 H1 N2 H5 107.768
H1 H3 N6 136.748 H1 H3 H7 113.470
H1 H3 H8 45.250 N2 H1 H3 43.244
H4 N2 H5 107.769 N6 H3 H7 106.749
N6 H3 H8 107.767 H7 H3 H8 107.769

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