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Geometry for H2OO (water oxide) 1A' CS

1910171554
InChI=1S/H2O2/c1-2/h1H2 INChIKey=

TPSSh/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0617 -0.6632 0.0000   -0.0032 0.0617 -0.6632
O2 0.0617 0.8743 0.0000   -0.0032 0.0617 0.8743
H3 -0.4939 -0.8445 0.7804   0.8049 -0.4529 -0.8445
H4 -0.4939 -0.8445 -0.7804   -0.7538 -0.5336 -0.8445
Atom - Atom Distances (Å)
  O1 O2 H3 H4
O1 1.5375 0.9750 0.9750
O2 1.5375 1.9678 1.9678
H3 0.9750 1.9678 1.5607
H4 0.9750 1.9678 1.5607
Maximum atom distance is 1.9678Å between atoms O2 and H3.
picture of water oxide
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
O2 O1 H3 100.720 O2 O1 H4 100.720
H3 O1 H4 106.335

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