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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

PBEPBEultrafine/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.1008 0.6345 0.0000   0.6369 0.0000 0.0847
N2 -0.0396 1.6570 0.0000   1.6555 0.0000 -0.0815
N3 -0.0396 -1.5208 0.0000   -1.5213 0.0000 -0.0011
H4 0.4364 2.0378 0.8225   2.0482 0.8225 0.3847
H5 0.4364 2.0378 -0.8225   2.0482 -0.8225 0.3847
H6 -1.0573 -1.6365 0.0000   -1.6627 0.0000 -1.0155
H7 0.3189 -2.0135 -0.8230   -2.0048 -0.8230 0.3697
H8 0.3189 -2.0135 0.8230   -2.0048 0.8230 0.3697
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0321 2.1599 1.6608 1.6608 2.5493 2.7816 2.7816
N2 1.0321 3.1779 1.0237 1.0237 3.4472 3.7788 3.7788
N3 2.1599 3.1779 3.6833 3.6833 1.0243 1.0240 1.0240
H4 1.6608 1.0237 3.6833 1.6449 4.0507 4.3743 4.0530
H5 1.6608 1.0237 3.6833 1.6449 4.0507 4.0530 4.3743
H6 2.5493 3.4472 1.0243 4.0507 4.0507 1.6472 1.6472
H7 2.7816 3.7788 1.0240 4.3743 4.0530 1.6472 1.6459
H8 2.7816 3.7788 1.0240 4.0530 4.3743 1.6472 1.6459
Maximum atom distance is 4.3743Å 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 107.771 H1 N2 H5 107.771
H1 H3 N6 100.211 H1 H3 H7 117.219
H1 H3 H8 117.219 N2 H1 H3 168.454
H4 N2 H5 106.913 N6 H3 H7 107.068
N6 H3 H8 107.068 H7 H3 H8 106.967

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