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Geometry for H2O (Water) 1A1 C2V

1910171554
InChI=1S/H2O/h1H2 INChIKey=XLYOFNOQVPJJNP-UHFFFAOYSA-N

mPW1PW91/daug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.1175   0.0000 0.1175 0.0000
H2 0.0000 0.7600 -0.4701   0.7600 -0.4701 0.0000
H3 0.0000 -0.7600 -0.4701   -0.7600 -0.4701 0.0000
Atom - Atom Distances (Å)
  O1 H2 H3
O1 0.9606 0.9606
H2 0.9606 1.5199
H3 0.9606 1.5199
Maximum atom distance is 1.5199Å between atoms H2 and H3.
picture of Water
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 104.579

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