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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

MP2=FULL/cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0529 0.7674 0.0000   0.7622 -0.1037 0.0000
C2 0.0529 -0.7674 0.0000   -0.7622 0.1037 0.0000
O3 1.1323 1.3701 0.0000   1.4421 1.0389 0.0000
O4 -1.1323 -1.3701 0.0000   -1.4421 -1.0389 0.0000
O5 -1.1323 1.3271 0.0000   1.2491 -1.2178 0.0000
O6 1.1323 -1.3271 0.0000   -1.2491 1.2178 0.0000
H7 1.7801 0.6351 0.0000   0.7517 1.7340 0.0000
H8 -1.7801 -0.6351 0.0000   -0.7517 -1.7340 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 O6 H7 H8
C1 1.5384 1.3296 2.3945 1.2159 2.4065 1.8377 2.2248
C2 1.5384 2.3945 1.3296 2.4065 1.2159 2.2248 1.8377
O3 1.3296 2.3945 3.5548 2.2650 2.6972 0.9797 3.5358
O4 2.3945 1.3296 3.5548 2.6972 2.2650 3.5358 0.9797
O5 1.2159 2.4065 2.2650 2.6972 3.4890 2.9934 2.0663
O6 2.4065 1.2159 2.6972 2.2650 3.4890 2.0663 2.9934
H7 1.8377 2.2248 0.9797 3.5358 2.9934 2.0663 3.7799
H8 2.2248 1.8377 3.5358 0.9797 2.0663 2.9934 3.7799
Maximum atom distance is 3.7799Å 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 113.010 C1 C2 O6 121.356
C2 C1 O3 113.010 C2 C1 O5 121.356
O3 C1 O5 125.634 O4 C2 O6 125.634
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H7 104.435 C2 O4 H8 104.435

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