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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

B3PW91/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0518 0.7679 0.0000   0.7624 -0.1060 0.0000
C2 0.0518 -0.7679 0.0000   -0.7624 0.1060 0.0000
O3 1.1273 1.3657 0.0000   1.4420 1.0280 0.0000
O4 -1.1273 -1.3657 0.0000   -1.4420 -1.0280 0.0000
O5 -1.1273 1.3205 0.0000   1.2376 -1.2178 0.0000
O6 1.1273 -1.3205 0.0000   -1.2376 1.2178 0.0000
H7 1.7981 0.6490 0.0000   0.7744 1.7477 0.0000
H8 -1.7981 -0.6490 0.0000   -0.7744 -1.7477 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 O6 H7 H8
C1 1.5394 1.3221 2.3894 1.2091 2.3983 1.8537 2.2488
C2 1.5394 2.3894 1.3221 2.3983 1.2091 2.2488 1.8537
O3 1.3221 2.3894 3.5418 2.2551 2.6862 0.9816 3.5521
O4 2.3894 1.3221 3.5418 2.6862 2.2551 3.5521 0.9816
O5 1.2091 2.3983 2.2551 2.6862 3.4725 3.0015 2.0806
O6 2.3983 1.2091 2.6862 2.2551 3.4725 2.0806 3.0015
H7 1.8537 2.2488 0.9816 3.5521 3.0015 2.0806 3.8232
H8 2.2488 1.8537 3.5521 0.9816 2.0806 3.0015 3.8232
Maximum atom distance is 3.8232Å 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 113.021 C1 C2 O6 121.054
C2 C1 O3 113.021 C2 C1 O5 121.054
O3 C1 O5 125.925 O4 C2 O6 125.925
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H7 106.217 C2 O4 H8 106.217

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