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Geometry for C2H2O2 (Ethanedial) 1Ag C2H

1910171554
InChI=1S/C2H2O2/c3-1-2-4/h1-2H INChIKey=LEQAOMBKQFMDFZ-UHFFFAOYSA-N

MP2/CEP-121G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3424 0.6882 0.0000   0.6450 -0.4181 0.0000
C2 0.3424 -0.6882 0.0000   -0.6450 0.4181 0.0000
H3 -1.4485 0.6835 0.0000   0.5151 -1.5166 0.0000
H4 1.4485 -0.6835 0.0000   -0.5151 1.5166 0.0000
O5 0.3424 1.7645 0.0000   1.7919 0.1404 0.0000
O6 -0.3424 -1.7645 0.0000   -1.7919 -0.1404 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6
C1 1.5374 1.1061 2.2559 1.2757 2.4527
C2 1.5374 2.2559 1.1061 2.4527 1.2757
H3 1.1061 2.2559 3.2034 2.0919 2.6864
H4 2.2559 1.1061 3.2034 2.6864 2.0919
O5 1.2757 2.4527 2.0919 2.6864 3.5949
O6 2.4527 1.2757 2.6864 2.0919 3.5949
Maximum atom distance is 3.5949Å between atoms O5 and O6.
picture of Ethanedial
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O6 121.081 C2 C1 O5 121.081
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 116.209 C2 C1 H3 116.209
H3 C1 O5 122.711 H4 C2 O6 122.711

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