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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

B2PLYP/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.1700 0.6891 0.0000   -0.0035 0.1700 0.6891
N2 -0.0258 1.6805 0.0000   0.0005 -0.0258 1.6805
N3 -0.0258 -1.5923 0.0000   0.0005 -0.0258 -1.5923
H4 0.3272 2.1316 0.8258   0.8188 0.3443 2.1316
H5 0.3272 2.1316 -0.8258   -0.8324 0.3100 2.1316
H6 -1.0217 -1.4417 0.0000   0.0212 -1.0215 -1.4417
H7 0.2789 -2.0638 -0.8353   -0.8409 0.2615 -2.0638
H8 0.2789 -2.0638 0.8353   0.8293 0.2962 -2.0638
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0105 2.2898 1.6695 1.6695 2.4414 2.8789 2.8789
N2 1.0105 3.2728 1.0050 1.0050 3.2772 3.8484 3.8484
N3 2.2898 3.2728 3.8307 3.8307 1.0073 1.0064 1.0064
H4 1.6695 1.0050 3.8307 1.6515 3.9076 4.5125 4.1957
H5 1.6695 1.0050 3.8307 1.6515 3.9076 4.1957 4.5125
H6 2.4414 3.2772 1.0073 3.9076 3.9076 1.6662 1.6662
H7 2.8789 3.8484 1.0064 4.5125 4.1957 1.6662 1.6705
H8 2.8789 3.8484 1.0064 4.1957 4.5125 1.6662 1.6705
Maximum atom distance is 4.5125Å 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 111.858 H1 N2 H5 111.858
H1 H3 N6 86.302 H1 H3 H7 116.160
H1 H3 H8 116.160 N2 H1 H3 163.925
H4 N2 H5 110.508 N6 H3 H7 111.681
N6 H3 H8 111.681 H7 H3 H8 112.193

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