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Geometry for CH2O2 (Dioxirane) 1A1 C2V

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

B3LYP/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7308   0.7308 0.0000 0.0000
H2 0.9274 0.0000 1.3041   1.3041 0.0000 0.9274
H3 -0.9274 0.0000 1.3041   1.3041 0.0000 -0.9274
O4 0.0000 0.7500 -0.4371   -0.4371 0.7500 0.0000
O5 0.0000 -0.7500 -0.4371   -0.4371 -0.7500 0.0000
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5
C1 1.0903 1.0903 1.3880 1.3880
H2 1.0903 1.8548 2.1105 2.1105
H3 1.0903 1.8548 2.1105 2.1105
O4 1.3880 2.1105 2.1105 1.4999
O5 1.3880 2.1105 2.1105 1.4999
Maximum atom distance is 2.1105Å 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 57.295 C1 O5 O4 57.295
O4 C1 O5 65.411
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 116.553 H2 C1 O4 116.261
H2 C1 O5 116.261 H3 C1 O4 116.261
H3 C1 O5 116.261

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