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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

MP2/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7483 -0.7453 0.0000   -0.6740 -0.8131 0.0000
C2 0.0000 0.5841 0.0000   0.5817 0.0532 0.0000
O3 -0.1434 -1.7985 0.0000   -1.7779 -0.3066 0.0000
O4 -0.5734 1.6432 0.0000   1.6887 -0.4213 0.0000
O5 1.3243 0.4264 0.0000   0.3040 1.3577 0.0000
H6 -1.8452 -0.6670 0.0000   -0.4961 -1.8984 0.0000
H7 1.4747 -0.5353 0.0000   -0.6674 1.4198 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7
C1 1.5255 1.2146 2.3949 2.3809 1.0997 2.2329
C2 1.5255 2.3869 1.2044 1.3337 2.2294 1.8514
O3 1.2146 2.3869 3.4685 2.6654 2.0437 2.0528
O4 2.3949 1.2044 3.4685 2.2544 2.6372 2.9901
O5 2.3809 1.3337 2.6654 2.2544 3.3529 0.9733
H6 1.0997 2.2294 2.0437 2.6372 3.3529 3.3226
H7 2.2329 1.8514 2.0528 2.9901 0.9733 3.3226
Maximum atom distance is 3.4685Å 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 122.194 C1 C2 O5 112.585
C2 C1 O3 120.751 O4 C2 O5 125.221
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H6 115.295 C2 O5 H7 105.678
O3 C1 H6 123.954

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