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Geometry for H2O2 (Hydrogen peroxide) 1A C2

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

B2PLYP=FULL/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 0.7236 -0.0586   0.7211 -0.0595 -0.0586
O2 0.0000 -0.7236 -0.0586   -0.7211 0.0595 -0.0586
H3 0.7900 0.8914 0.4687   0.9533 0.7141 0.4687
H4 -0.7900 -0.8914 0.4687   -0.9533 -0.7141 0.4687
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.4471 0.9646 1.8736
O2 1.4471 1.8736 0.9646
H3 0.9646 1.8736 2.3822
H4 1.8736 0.9646 2.3822
Maximum atom distance is 2.3822Å 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 100.019 O2 O1 H3 100.019

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