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Geometry for CHOCOOH (oxo acetic acid) 1A' CS

1910171554
InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5) INChIKey=HHLFWLYXYJOTON-UHFFFAOYSA-N

B3PW91/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7453 -0.7541 0.0000   -0.6855 -0.8089 0.0000
C2 0.0000 0.5850 0.0000   0.5828 0.0516 0.0000
O3 -0.1452 -1.7966 0.0000   -1.7768 -0.3030 0.0000
O4 -0.5780 1.6330 0.0000   1.6776 -0.4317 0.0000
O5 1.3232 0.4398 0.0000   0.3214 1.3568 0.0000
H6 -1.8467 -0.6815 0.0000   -0.5160 -1.8996 0.0000
H7 1.5182 -0.5135 0.0000   -0.6454 1.4670 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7
C1 1.5326 1.2028 2.3929 2.3883 1.1038 2.2763
C2 1.5326 2.3860 1.1967 1.3311 2.2393 1.8740
O3 1.2028 2.3860 3.4567 2.6753 2.0344 2.1007
O4 2.3929 1.1967 3.4567 2.2446 2.6394 3.0002
O5 2.3883 1.3311 2.6753 2.2446 3.3623 0.9730
H6 1.1038 2.2393 2.0344 2.6394 3.3623 3.3691
H7 2.2763 1.8740 2.1007 3.0002 0.9730 3.3691
Maximum atom distance is 3.4567Å between atoms O3 and O4.
picture of oxo acetic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 122.024 C1 C2 O5 112.832
C2 C1 O3 120.974 O4 C2 O5 125.145
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H6 115.323 C2 O5 H7 107.830
O3 C1 H6 123.703

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