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Geometry for ND3 (Ammonia-d3) 1A1 C3V

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

B3PW91/aug-cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.0000 0.1162   0.0000 0.0000 0.1162
H2 0.0000 0.9414 -0.2710   0.9414 0.0000 -0.2710
H3 0.8153 -0.4707 -0.2710   -0.4707 0.8153 -0.2710
H4 -0.8153 -0.4707 -0.2710   -0.4707 -0.8153 -0.2710
X5 0.0000 0.0000 1.1162   0.0000 0.0000 1.1162
Atom - Atom Distances (Å)
  N1 H2 H3 H4 X5
N1 1.0179 1.0179 1.0179 1.0000
H2 1.0179 1.6305 1.6305 1.6765
H3 1.0179 1.6305 1.6305 1.6765
H4 1.0179 1.6305 1.6305 1.6765
X5 1.0000 1.6765 1.6765 1.6765
Maximum atom distance is 1.6765Å between atoms H3 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.