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Geometry for CH2O2 (Dioxirane) 1A1 C2V

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

B1B95/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7284   0.7284 0.0000 0.0000
H2 0.9318 0.0000 1.3085   1.3085 0.9318 0.0000
H3 -0.9318 0.0000 1.3085   1.3085 -0.9318 0.0000
O4 0.0000 0.7396 -0.4367   -0.4367 0.0000 0.7396
O5 0.0000 -0.7396 -0.4367   -0.4367 0.0000 -0.7396
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5
C1 1.0976 1.0976 1.3800 1.3800
H2 1.0976 1.8637 2.1121 2.1121
H3 1.0976 1.8637 2.1121 2.1121
O4 1.3800 2.1121 2.1121 1.4791
O5 1.3800 2.1121 2.1121 1.4791
Maximum atom distance is 2.1121Å 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 57.595 C1 O5 O4 57.595
O4 C1 O5 64.810
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 116.195 H2 C1 O4 116.499
H2 C1 O5 116.499 H3 C1 O4 116.499
H3 C1 O5 116.499

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