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Geometry for C2H2O2 (Ethanedial) 1Ag C2H

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

M06-2X/aug-cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3287 0.6867 0.0000   0.7186 -0.2513 0.0000
C2 0.3287 -0.6867 0.0000   -0.7186 0.2513 0.0000
H3 -1.4318 0.6794 0.0000   0.8325 -1.3486 0.0000
H4 1.4318 -0.6794 0.0000   -0.8325 1.3486 0.0000
O5 0.3287 1.6861 0.0000   1.6398 0.5119 0.0000
O6 -0.3287 -1.6861 0.0000   -1.6398 -0.5119 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6
C1 1.5226 1.1032 2.2283 1.1963 2.3728
C2 1.5226 2.2283 1.1032 2.3728 1.1963
H3 1.1032 2.2283 3.1697 2.0281 2.6101
H4 2.2283 1.1032 3.1697 2.6101 2.0281
O5 1.1963 2.3728 2.0281 2.6101 3.4357
O6 2.3728 1.1963 2.6101 2.0281 3.4357
Maximum atom distance is 3.4357Å 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 121.084 C2 C1 O5 121.084
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 115.202 C2 C1 H3 115.202
H3 C1 O5 123.713 H4 C2 O6 123.713

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