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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/3-21G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0548 0.7609 0.0000   0.7628 0.0015 0.0000
C2 0.0548 -0.7609 0.0000   -0.7628 -0.0015 0.0000
O3 1.1461 1.3536 0.0000   1.2653 1.2429 0.0000
O4 -1.1461 -1.3536 0.0000   -1.2653 -1.2429 0.0000
O5 -1.1461 1.3156 0.0000   1.3967 -1.0457 0.0000
O6 1.1461 -1.3156 0.0000   -1.3967 1.0457 0.0000
H7 1.8360 0.6236 0.0000   0.4863 1.8771 0.0000
H8 -1.8360 -0.6236 0.0000   -0.4863 -1.8771 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 O6 H7 H8
C1 1.5257 1.3392 2.3795 1.2241 2.3987 1.8958 2.2560
C2 1.5257 2.3795 1.3392 2.3987 1.2241 2.2560 1.8958
O3 1.3392 2.3795 3.5473 2.2924 2.6692 1.0044 3.5780
O4 2.3795 1.3392 3.5473 2.6692 2.2924 3.5780 1.0044
O5 1.2241 2.3987 2.2924 2.6692 3.4896 3.0613 2.0583
O6 2.3987 1.2241 2.6692 2.2924 3.4896 2.0583 3.0613
H7 1.8958 2.2560 1.0044 3.5780 3.0613 2.0583 3.8781
H8 2.2560 1.8958 3.5780 1.0044 2.0583 3.0613 3.8781
Maximum atom distance is 3.8781Å 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 112.149 C1 C2 O6 121.070
C2 C1 O3 112.149 C2 C1 O5 121.070
O3 C1 O5 126.782 O4 C2 O6 126.782
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H7 107.114 C2 O4 H8 107.114

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