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Geometry for HDO (Water-d1) 1A1 C2V

1910171554
InChI=1S/H2O/h1H2/i/hD INChIKey=XLYOFNOQVPJJNP-DYCDLGHISA-N

B1B95/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.1188 0.0000   0.0437 0.1104 0.0000
H2 0.7587 -0.4751 0.0000   0.5305 -0.7210 0.0000
H3 -0.7587 -0.4751 0.0000   -0.8803 -0.1625 0.0000
Atom - Atom Distances (Å)
  O1 H2 H3
O1 0.9635 0.9635
H2 0.9635 1.5174
H3 0.9635 1.5174
Maximum atom distance is 1.5174Å between atoms H2 and H3.
picture of Water-d1
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
H2 O1 H3 103.892

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