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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/6-311G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3247 0.6871 0.0000   0.6481 -0.3969 0.0000
C2 0.3247 -0.6871 0.0000   -0.6481 0.3969 0.0000
H3 -1.4180 0.6813 0.0000   0.5245 -1.4832 0.0000
H4 1.4180 -0.6813 0.0000   -0.5245 1.4832 0.0000
O5 0.3247 1.6705 0.0000   1.6958 0.1427 0.0000
O6 -0.3247 -1.6705 0.0000   -1.6958 -0.1427 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 O5 O6
C1 1.5200 1.0933 2.2158 1.1785 2.3576
C2 1.5200 2.2158 1.0933 2.3576 1.1785
H3 1.0933 2.2158 3.1465 2.0039 2.5936
H4 2.2158 1.0933 3.1465 2.5936 2.0039
O5 1.1785 2.3576 2.0039 2.5936 3.4036
O6 2.3576 1.1785 2.5936 2.0039 3.4036
Maximum atom distance is 3.4036Å 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 121.261 C2 C1 O5 121.261
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 114.995 C2 C1 H3 114.995
H3 C1 O5 123.744 H4 C2 O6 123.744

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