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Geometry for H2OO (water oxide) 1A' CS

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

PBEPBEultrafine/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0610 -0.6651 0.0000   -0.6612 0.0000 0.0940
O2 0.0610 0.8830 0.0000   0.8850 0.0000 0.0169
H3 -0.4878 -0.8718 0.7847   -0.8950 0.7847 -0.4438
H4 -0.4878 -0.8718 -0.7847   -0.8950 -0.7847 -0.4438
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.5481 0.9796 0.9796
O2 1.5481 1.9991 1.9991
H3 0.9796 1.9991 1.5694
H4 0.9796 1.9991 1.5694
Maximum atom distance is 1.9991Å 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 102.181 O2 O1 H4 102.181
H3 O1 H4 106.457

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