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Geometry for H2O2 (Hydrogen peroxide) 1A C2

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

B3LYP/TZVP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.7293 -0.0515   0.7266 -0.0631 -0.0515
O2 0.0000 -0.7293 -0.0515   -0.7266 0.0631 -0.0515
H3 0.8326 0.8992 0.4117   0.9678 0.7517 0.4117
H4 -0.8326 -0.8992 0.4117   -0.9678 -0.7517 0.4117
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.4586 0.9678 1.8867
O2 1.4586 1.8867 0.9678
H3 0.9678 1.8867 2.4509
H4 1.8867 0.9678 2.4509
Maximum atom distance is 2.4509Å 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 100.108 O2 O1 H3 100.108

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