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Geometry for CH2O2 (Dioxirane) 1A1 C2V

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

PBEPBE/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 0.7360   0.7360 0.0000 0.0000
H2 0.9346 0.0000 1.3215   1.3215 0.9346 0.0000
H3 -0.9346 0.0000 1.3215   1.3215 -0.9346 0.0000
O4 0.0000 0.7578 -0.4412   -0.4412 0.0000 0.7578
O5 0.0000 -0.7578 -0.4412   -0.4412 0.0000 -0.7578
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5
C1 1.1029 1.1029 1.4000 1.4000
H2 1.1029 1.8692 2.1342 2.1342
H3 1.1029 1.8692 2.1342 2.1342
O4 1.4000 2.1342 2.1342 1.5155
O5 1.4000 2.1342 2.1342 1.5155
Maximum atom distance is 2.1342Å 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 57.230 C1 O5 O4 57.230
O4 C1 O5 65.540
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 115.862 H2 C1 O4 116.516
H2 C1 O5 116.516 H3 C1 O4 116.516
H3 C1 O5 116.516

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