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Geometry for H2O2 (Hydrogen peroxide) 1A C2

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

PBEPBE/6-31G(2df,p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.7295 -0.0606   0.7271 -0.0594 -0.0606
O2 0.0000 -0.7295 -0.0606   -0.7271 0.0594 -0.0606
H3 0.7931 0.8943 0.4850   0.9560 0.7176 0.4850
H4 -0.7931 -0.8943 0.4850   -0.9560 -0.7176 0.4850
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.4590 0.9767 1.8877
O2 1.4590 1.8877 0.9767
H3 0.9767 1.8877 2.3907
H4 1.8877 0.9767 2.3907
Maximum atom distance is 2.3907Å 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 99.716 O2 O1 H3 99.716

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