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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

CCD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7848 -0.7386 0.0000   -0.8237 -0.6949 0.0000
C2 0.0000 0.5712 0.0000   0.5674 -0.0655 0.0000
O3 -0.1883 -1.8326 0.0000   -1.8421 0.0231 0.0000
O4 -0.5644 1.6668 0.0000   1.5911 -0.7519 0.0000
O5 1.3709 0.4357 0.0000   0.5900 1.3118 0.0000
H6 -1.8802 -0.6474 0.0000   -0.8588 -1.7935 0.0000
H7 1.6441 -0.5076 0.0000   -0.3156 1.6915 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7
C1 1.5269 1.2461 2.4154 2.4547 1.0992 2.4399
C2 1.5269 2.4111 1.2324 1.3775 2.2406 1.9664
O3 1.2461 2.4111 3.5195 2.7524 2.0657 2.2613
O4 2.4154 1.2324 3.5195 2.2937 2.6621 3.0993
O5 2.4547 1.3775 2.7524 2.2937 3.4267 0.9820
H6 1.0992 2.2406 2.0657 2.6621 3.4267 3.5271
H7 2.4399 1.9664 2.2613 3.0993 0.9820 3.5271
Maximum atom distance is 3.5271Å between atoms H6 and H7.
picture of oxo acetic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 121.813 C1 C2 O5 115.285
C2 C1 O3 120.468 O4 C2 O5 122.903
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H6 116.174 C2 O5 H7 111.803
O3 C1 H6 123.358

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