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Geometry for CH2O2 (Dioxirane) 1A1 C2V

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

MP2/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7272   0.7272 0.0000 0.0000
H2 0.9248 0.0000 1.3026   1.3026 0.9248 0.0000
H3 -0.9248 0.0000 1.3026   1.3026 -0.9248 0.0000
O4 0.0000 0.7430 -0.4355   -0.4355 0.0000 0.7430
O5 0.0000 -0.7430 -0.4355   -0.4355 0.0000 -0.7430
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5
C1 1.0892 1.0892 1.3798 1.3798
H2 1.0892 1.8496 2.1044 2.1044
H3 1.0892 1.8496 2.1044 2.1044
O4 1.3798 2.1044 2.1044 1.4859
O5 1.3798 2.1044 2.1044 1.4859
Maximum atom distance is 2.1044Å 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 57.422 C1 O5 O4 57.422
O4 C1 O5 65.156
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 116.225 H2 C1 O4 116.432
H2 C1 O5 116.432 H3 C1 O4 116.432
H3 C1 O5 116.432

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