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Geometry for H2OO (water oxide) 1A' CS

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

mPW1PW91/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0591 -0.6448 0.0000   -0.6410 0.0000 0.0914
O2 0.0591 0.8588 0.0000   0.8607 0.0000 0.0160
H3 -0.4730 -0.8562 0.7782   -0.8788 0.7782 -0.4294
H4 -0.4730 -0.8562 -0.7782   -0.8788 -0.7782 -0.4294
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.5036 0.9661 0.9661
O2 1.5036 1.9570 1.9570
H3 0.9661 1.9570 1.5564
H4 0.9661 1.9570 1.5564
Maximum atom distance is 1.9570Å 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 102.638 O2 O1 H4 102.638
H3 O1 H4 107.314

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