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Geometry for H2OO (water oxide) 1A' CS

1910171554
InChI=1S/H2O2/c1-2/h1H2 INChIKey=

B3PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0619 -0.6629 0.0000   -0.6589 0.0000 0.0952
O2 0.0619 0.8763 0.0000   0.8783 0.0000 0.0178
H3 -0.4953 -0.8539 0.7728   -0.8777 0.7728 -0.4518
H4 -0.4953 -0.8539 -0.7728   -0.8777 -0.7728 -0.4518
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.5392 0.9718 0.9718
O2 1.5392 1.9752 1.9752
H3 0.9718 1.9752 1.5457
H4 0.9718 1.9752 1.5457
Maximum atom distance is 1.9752Å between atoms O2 and H3.
picture of water oxide
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
O2 O1 H3 101.338 O2 O1 H4 101.338
H3 O1 H4 105.368

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