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Geometry for CH2O2 (Dioxirane) 1A1 C2V

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

PBEPBE/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 0.7353   0.7353 0.0000 0.0000
H2 0.9406 0.0000 1.3245   1.3245 0.9406 0.0000
H3 -0.9406 0.0000 1.3245   1.3245 -0.9406 0.0000
O4 0.0000 0.7558 -0.4413   -0.4413 0.0000 0.7558
O5 0.0000 -0.7558 -0.4413   -0.4413 0.0000 -0.7558
Atom - Atom Distances (Å)
  C1 H2 H3 O4 O5
C1 1.1100 1.1100 1.3984 1.3984
H2 1.1100 1.8813 2.1387 2.1387
H3 1.1100 1.8813 2.1387 2.1387
O4 1.3984 2.1387 2.1387 1.5115
O5 1.3984 2.1387 2.1387 1.5115
Maximum atom distance is 2.1387Å 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 57.285 C1 O5 O4 57.285
O4 C1 O5 65.430
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 H3 115.872 H2 C1 O4 116.529
H2 C1 O5 116.529 H3 C1 O4 116.529
H3 C1 O5 116.529

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