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Geometry for ND3 (Ammonia-d3) 1A1 C3V

1910171554
InChI=1S/H3N/h1H3/i/hD3 INChIKey=QGZKDVFQNNGYKY-ZRLBSURWSA-N

B3LYP/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.1156   0.0000 0.0000 0.1156
H2 0.0000 0.9379 -0.2698   0.9379 -0.0000 -0.2698
H3 0.8122 -0.4689 -0.2698   -0.4689 0.8122 -0.2698
H4 -0.8122 -0.4689 -0.2698   -0.4689 -0.8122 -0.2698
X5 0.0000 0.0000 1.1156   0.0000 0.0000 1.1156
Atom - Atom Distances (Å)
  N1 H2 H3 H4 X5
N1 1.0140 1.0140 1.0140 1.0000
H2 1.0140 1.6244 1.6244 1.6730
H3 1.0140 1.6244 1.6244 1.6730
H4 1.0140 1.6244 1.6244 1.6730
X5 1.0000 1.6730 1.6730 1.6730
Maximum atom distance is 1.6730Å between atoms H2 and X5.
picture of Ammonia-d3
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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