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Geometry for H2O2 (Hydrogen peroxide) 1A C2

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

BLYP/6-31+G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.7485 -0.0530   0.7459 0.0622 -0.0530
O2 0.0000 -0.7485 -0.0530   -0.7459 -0.0622 -0.0530
H3 0.8445 0.9049 0.4243   0.8316 0.9168 0.4243
H4 -0.8445 -0.9049 0.4243   -0.8316 -0.9168 0.4243
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.4969 0.9826 1.9170
O2 1.4969 1.9170 0.9826
H3 0.9826 1.9170 2.4756
H4 1.9170 0.9826 2.4756
Maximum atom distance is 2.4756Å 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 99.163 O2 O1 H3 99.163

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