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Geometry for (Hydrogen peroxide cation) 2Bg C2H

1910171554
InChI=1S/H2O2/c1-2/h1-2H/q+1 INChIKey=QLOMDXCKVWDSAC-UHFFFAOYSA-N

MP2=FULL/6-31+G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.6736 0.0000   0.6688 0.0809 0.0000
O2 0.0000 -0.6736 0.0000   -0.6688 -0.0809 0.0000
H3 0.9744 0.8891 0.0000   0.7657 1.0741 0.0000
H4 -0.9744 -0.8891 0.0000   -0.7657 -1.0741 0.0000
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.3473 0.9980 1.8416
O2 1.3473 1.8416 0.9980
H3 0.9980 1.8416 2.6382
H4 1.8416 0.9980 2.6382
Maximum atom distance is 2.6382Å between atoms H3 and H4.
picture of Hydrogen peroxide cation
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 102.467 O2 O1 H3 102.467

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