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Geometry for H2O2 (Hydrogen peroxide) 1Ag C2h

1910171554
InChI=1S/H2O2/c1-2/h1-2H INChIKey=MHAJPDPJQMAIIY-UHFFFAOYSA-N

B3LYP/STO-3G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.7365 0.0000   0.7324 -0.0776 0.0000
O2 0.0000 -0.7365 0.0000   -0.7324 0.0776 0.0000
H3 1.0300 0.8631 0.0000   0.9668 0.9333 0.0000
H4 -1.0300 -0.8631 0.0000   -0.9668 -0.9333 0.0000
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.4730 1.0377 1.9025
O2 1.4730 1.9025 1.0377
H3 1.0377 1.9025 2.6875
H4 1.9025 1.0377 2.6875
Maximum atom distance is 2.6875Å between atoms H3 and H4.
picture of Hydrogen peroxide
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
O1 O2 H4 97.007 O2 O1 H3 97.007

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