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Geometry for CH2O2 (Dioxirane) 1A1 C2V

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

BLYP/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7380   0.7380 0.0000 0.0000
H2 0.9328 0.0000 1.3242   1.3242 0.9328 0.0000
H3 -0.9328 0.0000 1.3242   1.3242 -0.9328 0.0000
O4 0.0000 0.7709 -0.4423   -0.4423 0.0000 0.7709
O5 0.0000 -0.7709 -0.4423   -0.4423 0.0000 -0.7709
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5
C1 1.1017 1.1017 1.4098 1.4098
H2 1.1017 1.8656 2.1413 2.1413
H3 1.1017 1.8656 2.1413 2.1413
O4 1.4098 2.1413 2.1413 1.5418
O5 1.4098 2.1413 2.1413 1.5418
Maximum atom distance is 2.1413Å 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 56.851 C1 O5 O4 56.851
O4 C1 O5 66.299
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 115.710 H2 C1 O4 116.453
H2 C1 O5 116.453 H3 C1 O4 116.453
H3 C1 O5 116.453

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