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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

CID/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7792 -0.7285 0.0000   -0.6537 -0.8429 0.0000
C2 0.0000 0.5841 0.0000   0.5816 0.0538 0.0000
O3 -0.1839 -1.8015 0.0000   -1.7770 -0.3489 0.0000
O4 -0.5378 1.6699 0.0000   1.7123 -0.3818 0.0000
O5 1.3460 0.3889 0.0000   0.2634 1.3761 0.0000
H6 -1.8615 -0.6147 0.0000   -0.4407 -1.9102 0.0000
H7 1.5415 -0.5770 0.0000   -0.7165 1.4818 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 H6 H7
C1 1.5264 1.2271 2.4105 2.4011 1.0883 2.3256
C2 1.5264 2.3927 1.2117 1.3601 2.2141 1.9298
O3 1.2271 2.3927 3.4894 2.6719 2.0550 2.1157
O4 2.4105 1.2117 3.4894 2.2781 2.6404 3.0614
O5 2.4011 1.3601 2.6719 2.2781 3.3609 0.9855
H6 1.0883 2.2141 2.0550 2.6404 3.3609 3.4032
H7 2.3256 1.9298 2.1157 3.0614 0.9855 3.4032
Maximum atom distance is 3.4894Å 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 122.958 C1 C2 O5 112.444
C2 C1 O3 120.287 O4 C2 O5 124.598
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H6 114.689 C2 O5 H7 109.688
O3 C1 H6 125.023

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