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Geometry for C2H2O2 (Ethanedial) 1Ag C2H

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

HF/LANL2DZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3308 0.6773 0.0000   0.6363 -0.4042 0.0000
C2 0.3308 -0.6773 0.0000   -0.6363 0.4042 0.0000
H3 -1.4134 0.6781 0.0000   0.5166 -1.4801 0.0000
H4 1.4134 -0.6781 0.0000   -0.5166 1.4801 0.0000
O5 0.3308 1.6969 0.0000   1.7232 0.1399 0.0000
O6 -0.3308 -1.6969 0.0000   -1.7232 -0.1399 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6
C1 1.5076 1.0826 2.2090 1.2155 2.3742
C2 1.5076 2.2090 1.0826 2.3742 1.2155
H3 1.0826 2.2090 3.1354 2.0200 2.6101
H4 2.2090 1.0826 3.1354 2.6101 2.0200
O5 1.2155 2.3742 2.0200 2.6101 3.4578
O6 2.3742 1.2155 2.6101 2.0200 3.4578
Maximum atom distance is 3.4578Å 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 120.985 C2 C1 O5 120.985
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 116.078 C2 C1 H3 116.078
H3 C1 O5 122.937 H4 C2 O6 122.937

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