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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/Def2TZVPP


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0553 0.7699 0.0000   0.7719 0.0020 0.0000
C2 0.0553 -0.7699 0.0000   -0.7719 -0.0020 0.0000
O3 1.1208 1.3689 0.0000   1.2820 1.2192 0.0000
O4 -1.1208 -1.3689 0.0000   -1.2820 -1.2192 0.0000
O5 -1.1208 1.3314 0.0000   1.4109 -1.0189 0.0000
O6 1.1208 -1.3314 0.0000   -1.4109 1.0189 0.0000
H7 1.7887 0.6667 0.0000   0.5322 1.8333 0.0000
H8 -1.7887 -0.6667 0.0000   -0.5322 -1.8333 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 O6 H7 H8
C1 1.5438 1.3198 2.3896 1.2044 2.4081 1.8469 2.2514
C2 1.5438 2.3896 1.3198 2.4081 1.2044 2.2514 1.8469
O3 1.3198 2.3896 3.5384 2.2419 2.7003 0.9691 3.5509
O4 2.3896 1.3198 3.5384 2.7003 2.2419 3.5509 0.9691
O5 1.2044 2.4081 2.2419 2.7003 3.4807 2.9845 2.1069
O6 2.4081 1.2044 2.7003 2.2419 3.4807 2.1069 2.9845
H7 1.8469 2.2514 0.9691 3.5509 2.9845 2.1069 3.8179
H8 2.2514 1.8469 3.5509 0.9691 2.1069 2.9845 3.8179
Maximum atom distance is 3.8179Å 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 112.885 C1 C2 O6 121.893
C2 C1 O3 112.885 C2 C1 O5 121.893
O3 C1 O5 125.222 O4 C2 O6 125.222
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H7 106.580 C2 O4 H8 106.580

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