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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

MP2/3-21G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.6383 0.6948 0.0000   -0.0175 0.6381 0.6948
N2 0.0000 1.4917 0.0000   0.0000 0.0000 1.4917
N3 0.0000 -1.4917 0.0000   0.0000 0.0000 -1.4917
H4 0.1274 2.0616 0.8360   0.8322 0.1503 2.0616
H5 0.1274 2.0616 -0.8360   -0.8392 0.1045 2.0616
H6 -0.6383 -0.6948 0.0000   0.0175 -0.6381 -0.6948
H7 -0.1274 -2.0616 -0.8360   -0.8322 -0.1503 -2.0616
H8 -0.1274 -2.0616 0.8360   0.8392 -0.1045 -2.0616
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0210 2.2778 1.6816 1.6816 1.8870 2.9804 2.9804
N2 1.0210 2.9835 1.0197 1.0197 2.2778 3.6525 3.6525
N3 2.2778 2.9835 3.6525 3.6525 1.0210 1.0197 1.0197
H4 1.6816 1.0197 3.6525 1.6720 2.9804 4.4565 4.1310
H5 1.6816 1.0197 3.6525 1.6720 2.9804 4.1310 4.4565
H6 1.8870 2.2778 1.0210 2.9804 2.9804 1.6816 1.6816
H7 2.9804 3.6525 1.0197 4.4565 4.1310 1.6816 1.6720
H8 2.9804 3.6525 1.0197 4.1310 4.4565 1.6816 1.6720
Maximum atom distance is 4.4565Å 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 110.979 H1 N2 H5 110.979
H1 H3 N6 54.968 H1 H3 H7 124.850
H1 H3 H8 124.850 N2 H1 H3 125.032
H4 N2 H5 110.135 N6 H3 H7 110.979
N6 H3 H8 110.979 H7 H3 H8 110.135

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