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Geometry for CH2O2 (Dioxirane) 1A1 C2V

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

HF/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 0.7431   0.7431 0.0000 0.0000
H2 0.9141 0.0000 1.2962   1.2962 0.9141 0.0000
H3 -0.9141 0.0000 1.2962   1.2962 -0.9141 0.0000
O4 0.0000 0.7668 -0.4407   -0.4407 0.0000 0.7668
O5 0.0000 -0.7668 -0.4407   -0.4407 0.0000 -0.7668
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5
C1 1.0684 1.0684 1.4104 1.4104
H2 1.0684 1.8281 2.1072 2.1072
H3 1.0684 1.8281 2.1072 2.1072
O4 1.4104 2.1072 2.1072 1.5335
O5 1.4104 2.1072 2.1072 1.5335
Maximum atom distance is 2.1072Å 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 57.069 C1 O5 O4 57.069
O4 C1 O5 65.863
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 117.643 H2 C1 O4 115.755
H2 C1 O5 115.755 H3 C1 O4 115.755
H3 C1 O5 115.755

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