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Geometry for NH3NH3 (Ammonia Dimer)

1910171554

MP2_cp_opt/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.3778 0.7192 0.0000   -0.0099 0.3777 0.7192
N2 -0.0164 1.6553 0.0000   0.0004 -0.0164 1.6553
N3 -0.0164 -1.5770 0.0000   0.0004 -0.0164 -1.5770
H4 0.3530 2.1354 0.8109   0.8014 0.3742 2.1354
H5 0.3530 2.1354 -0.8109   -0.8199 0.3316 2.1354
H6 -0.9498 -1.1824 0.0000   0.0250 -0.9494 -1.1824
H7 0.0480 -2.1780 -0.8122   -0.8131 0.0267 -2.1780
H8 0.0480 -2.1780 0.8122   0.8106 0.0694 -2.1780
Atom - Atom Distances (Å)
  H1 N2 N3 H4 H5 H6 H7 H8
H1 1.0158 2.3298 1.6321 1.6321 2.3191 3.0268 3.0268
N2 1.0158 3.2323 1.0122 1.0122 2.9872 3.9189 3.9189
N3 2.3298 3.2323 3.8178 3.8178 1.0133 1.0124 1.0124
H4 1.6321 1.0122 3.8178 1.6218 3.6555 4.6187 4.3241
H5 1.6321 1.0122 3.8178 1.6218 3.6555 4.3241 4.6187
H6 2.3191 2.9872 1.0133 3.6555 3.6555 1.6268 1.6268
H7 3.0268 3.9189 1.0124 4.6187 4.3241 1.6268 1.6243
H8 3.0268 3.9189 1.0124 4.3241 4.6187 1.6268 1.6243
Maximum atom distance is 4.6187Å 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 107.182 H1 N2 H5 107.182
H1 H3 N6 76.824 H1 H3 H7 125.049
H1 H3 H8 125.049 N2 H1 H3 147.419
H4 N2 H5 106.478 N6 H3 H7 106.848
N6 H3 H8 106.848 H7 H3 H8 106.686

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