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Geometry for C2H2O4 (Oxalic Acid) 1Ag C2H

1910171554
InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) INChIKey=MUBZPKHOEPUJKR-UHFFFAOYSA-N

HSEh1PBE/TZVP


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0522 0.7689 0.0000   0.7706 0.0045 0.0000
C2 0.0522 -0.7689 0.0000   -0.7706 -0.0045 0.0000
O3 1.1191 1.3689 0.0000   1.2828 1.2169 0.0000
O4 -1.1191 -1.3689 0.0000   -1.2828 -1.2169 0.0000
O5 -1.1191 1.3160 0.0000   1.3948 -1.0192 0.0000
O6 1.1191 -1.3160 0.0000   -1.3948 1.0192 0.0000
H7 1.7985 0.6703 0.0000   0.5360 1.8429 0.0000
H8 -1.7985 -0.6703 0.0000   -0.5360 -1.8429 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 O6 H7 H8
C1 1.5413 1.3161 2.3892 1.1990 2.3914 1.8533 2.2629
C2 1.5413 2.3892 1.3161 2.3914 1.1990 2.2629 1.8533
O3 1.3161 2.3892 3.5363 2.2389 2.6849 0.9744 3.5596
O4 2.3892 1.3161 3.5363 2.6849 2.2389 3.5596 0.9744
O5 1.1990 2.3914 2.2389 2.6849 3.4550 2.9882 2.0992
O6 2.3914 1.1990 2.6849 2.2389 3.4550 2.0992 2.9882
H7 1.8533 2.2629 0.9744 3.5596 2.9882 2.0992 3.8386
H8 2.2629 1.8533 3.5596 0.9744 2.0992 2.9882 3.8386
Maximum atom distance is 3.8386Å between atoms H7 and H8.
picture of Oxalic Acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 113.238 C1 C2 O6 121.035
C2 C1 O3 113.238 C2 C1 O5 121.035
O3 C1 O5 125.728 O4 C2 O6 125.728
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H7 107.076 C2 O4 H8 107.076

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