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Geometry for H2OO (water oxide) 1A' CS

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

MP3/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0586 -0.6541 0.0000   -0.6504 0.0000 0.0905
O2 0.0586 0.8714 0.0000   0.8732 0.0000 0.0159
H3 -0.4686 -0.8691 0.7807   -0.8910 0.7807 -0.4255
H4 -0.4686 -0.8691 -0.7807   -0.8910 -0.7807 -0.4255
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.5255 0.9662 0.9662
O2 1.5255 1.9791 1.9791
H3 0.9662 1.9791 1.5614
H4 0.9662 1.9791 1.5614
Maximum atom distance is 1.9791Å 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 102.860 O2 O1 H4 102.860
H3 O1 H4 107.796

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