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Geometry for C2H4O4 (Formic acid dimer) 1AG C2H

1910171554
InChI=1S/C2H4O4/c1-3-7-5-2-6-8-4-1/h1-2H INChIKey=MWRSLEDBDQCVGX-UHFFFAOYSA-N

HF/CEP-31G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.9296 -0.2255 0.0000   -1.6019 -1.0991 0.0000
C2 -1.9296 0.2255 0.0000   1.6019 1.0991 0.0000
O3 1.3364 0.8553 0.0000   -0.4443 -1.5232 0.0000
O4 -1.3364 -0.8553 0.0000   0.4443 1.5232 0.0000
O5 1.3364 -1.4171 0.0000   -1.9387 0.1887 0.0000
O6 -1.3364 1.4171 0.0000   1.9387 -0.1887 0.0000
H7 3.0071 -0.3016 0.0000   -2.4637 -1.7504 0.0000
H8 -3.0071 0.3016 0.0000   2.4637 1.7504 0.0000
H9 -0.3602 1.4081 0.0000   1.1974 -0.8238 0.0000
H10 0.3602 -1.4081 0.0000   -1.1974 0.8238 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 O6 H7 H8 H9 H10
C1 3.8855 1.2329 3.3262 1.3311 3.6558 1.0801 4.9648 2.8128 1.9651
C2 3.8855 3.3262 1.2329 3.6558 1.3311 4.9648 1.0801 1.9651 2.8128
O3 1.2329 3.3262 3.1733 2.2724 2.7312 2.0322 4.3786 1.7844 2.4649
O4 3.3262 1.2329 3.1733 2.7312 2.2724 4.3786 2.0322 2.4649 1.7844
O5 1.3311 3.6558 2.2724 2.7312 3.8957 2.0089 4.6712 3.2955 0.9762
O6 3.6558 1.3311 2.7312 2.2724 3.8957 4.6712 2.0089 0.9762 3.2955
H7 1.0801 4.9648 2.0322 4.3786 2.0089 4.6712 6.0443 3.7765 2.8688
H8 4.9648 1.0801 4.3786 2.0322 4.6712 2.0089 6.0443 2.8688 3.7765
H9 2.8128 1.9651 1.7844 2.4649 3.2955 0.9762 3.7765 2.8688 2.9068
H10 1.9651 2.8128 2.4649 1.7844 0.9762 3.2955 2.8688 3.7765 2.9068
Maximum atom distance is 6.0443Å between atoms H7 and H8.
picture of Formic acid dimer
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O3 C1 O5 124.772 O4 C2 O6 124.772
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H9 136.807 C1 O5 H10 115.934
C2 O4 H10 136.807 C2 O6 H9 115.934
O3 C1 H7 122.804 O3 H9 O6 162.487
O4 C2 H8 122.804 O4 H10 O5 162.487
O5 C1 H7 112.424 O6 C2 H8 112.424

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