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Geometry for H2O2 (Hydrogen peroxide) 1A C2

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

mPW1PW91/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.7156 -0.0565   0.7129 0.0621 -0.0565
O2 0.0000 -0.7156 -0.0565   -0.7129 -0.0621 -0.0565
H3 0.8059 0.8898 0.4524   0.8164 0.8801 0.4524
H4 -0.8059 -0.8898 0.4524   -0.8164 -0.8801 0.4524
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.4313 0.9689 1.8670
O2 1.4313 1.8670 0.9689
H3 0.9689 1.8670 2.4010
H4 1.8670 0.9689 2.4010
Maximum atom distance is 2.4010Å 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 100.353 O2 O1 H3 100.353

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