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Geometry for H2OO (water oxide) 1A' CS

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

MP2/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0628 -0.6580 0.0000   -0.6539 0.0000 0.0964
O2 0.0628 0.8691 0.0000   0.8712 0.0000 0.0181
H3 -0.5021 -0.8444 0.7697   -0.8691 0.7697 -0.4581
H4 -0.5021 -0.8444 -0.7697   -0.8691 -0.7697 -0.4581
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.5272 0.9727 0.9727
O2 1.5272 1.9616 1.9616
H3 0.9727 1.9616 1.5393
H4 0.9727 1.9616 1.5393
Maximum atom distance is 1.9616Å 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 101.049 O2 O1 H4 101.049
H3 O1 H4 104.600

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