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Geometry for D2O (Deuterium oxide) 1A1 C2V

1910171554
InChI=1S/H2O/h1H2/i/hD2 INChIKey=XLYOFNOQVPJJNP-ZSJDYOACSA-N

B3LYP/CEP-121G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.1406   0.1406 0.0000 0.0000
H2 0.0000 0.7992 -0.4218   -0.4218 0.0000 0.7992
H3 0.0000 -0.7992 -0.4218   -0.4218 0.0000 -0.7992
Atom - Atom Distances (Å)
  O1 H2 H3
O1 0.9772 0.9772
H2 0.9772 1.5984
H3 0.9772 1.5984
Maximum atom distance is 1.5984Å between atoms H2 and H3.
picture of Deuterium oxide
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.