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Geometry for C2H2O2 (Ethanedial) 1Ag C2H

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

PBEPBEultrafine/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3299 0.6903 0.0000   0.6501 -0.4033 0.0000
C2 0.3299 -0.6903 0.0000   -0.6501 0.4033 0.0000
H3 -1.4505 0.6677 0.0000   0.5053 -1.5147 0.0000
H4 1.4505 -0.6677 0.0000   -0.5053 1.5147 0.0000
O5 0.3299 1.7160 0.0000   1.7417 0.1406 0.0000
O6 -0.3299 -1.7160 0.0000   -1.7417 -0.1406 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6
C1 1.5302 1.1208 2.2392 1.2196 2.4063
C2 1.5302 2.2392 1.1208 2.4063 1.2196
H3 1.1208 2.2392 3.1935 2.0661 2.6339
H4 2.2392 1.1208 3.1935 2.6339 2.0661
O5 1.2196 2.4063 2.0661 2.6339 3.4948
O6 2.4063 1.2196 2.6339 2.0661 3.4948
Maximum atom distance is 3.4948Å 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 121.699 C2 C1 O5 121.699
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 114.389 C2 C1 H3 114.389
H3 C1 O5 123.912 H4 C2 O6 123.912

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