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Geometry for CH2O2 (Dioxirane) 1A1 C2V

1910171554
InChI=1S/CH2O2/c1-2-3-1/h1H2 INChIKey=ASQQEOXYFGEFKQ-UHFFFAOYSA-N

mPW1PW91/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7691   0.7691 0.0000 0.0000
H2 0.9255 0.0000 1.3339   1.3339 0.9255 0.0000
H3 -0.9255 0.0000 1.3339   1.3339 -0.9255 0.0000
O4 0.0000 0.7794 -0.4551   -0.4551 0.0000 0.7794
O5 0.0000 -0.7794 -0.4551   -0.4551 0.0000 -0.7794
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5
C1 1.0842 1.0842 1.4512 1.4512
H2 1.0842 1.8510 2.1598 2.1598
H3 1.0842 1.8510 2.1598 2.1598
O4 1.4512 2.1598 2.1598 1.5587
O5 1.4512 2.1598 2.1598 1.5587
Maximum atom distance is 2.1598Å between atoms H2 and O4.
picture of Dioxirane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O4 O5 57.517 C1 O5 O4 57.517
O4 C1 O5 64.965
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 117.211 H2 C1 O4 116.068
H2 C1 O5 116.068 H3 C1 O4 116.068
H3 C1 O5 116.068

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