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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/aug-cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.6467 -1.0547 0.0000   -1.9308 -0.3096 0.0000
C2 -1.6467 1.0547 0.0000   1.9308 0.3096 0.0000
O3 1.6467 0.1415 0.0000   -1.1343 -1.2021 0.0000
O4 -1.6467 -0.1415 0.0000   1.1343 1.2021 0.0000
O5 0.5908 -1.8165 0.0000   -1.6504 0.9618 0.0000
O6 -0.5908 1.8165 0.0000   1.6504 -0.9618 0.0000
H7 2.5664 -1.6385 0.0000   -3.0057 -0.4865 0.0000
H8 -2.5664 1.6385 0.0000   3.0057 0.4865 0.0000
H9 0.2143 1.2888 0.0000   0.6982 -1.1042 0.0000
H10 -0.2143 -1.2888 0.0000   -0.6982 1.1042 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 O6 H7 H8 H9 H10
C1 3.9109 1.1962 3.4176 1.3020 3.6400 1.0894 5.0003 2.7465 1.8757
C2 3.9109 3.4176 1.1962 3.6400 1.3020 5.0003 1.0894 1.8757 2.7465
O3 1.1962 3.4176 3.3054 2.2245 2.7950 2.0036 4.4711 1.8351 2.3471
O4 3.4176 1.1962 3.3054 2.7950 2.2245 4.4711 2.0036 2.3471 1.8351
O5 1.3020 3.6400 2.2245 2.7950 3.8203 1.9835 4.6803 3.1280 0.9627
O6 3.6400 1.3020 2.7950 2.2245 3.8203 4.6803 1.9835 0.9627 3.1280
H7 1.0894 5.0003 2.0036 4.4711 1.9835 4.6803 6.0897 3.7551 2.8026
H8 5.0003 1.0894 4.4711 2.0036 4.6803 1.9835 6.0897 2.8026 3.7551
H9 2.7465 1.8757 1.8351 2.3471 3.1280 0.9627 3.7551 2.8026 2.6129
H10 1.8757 2.7465 2.3471 1.8351 0.9627 3.1280 2.8026 3.7551 2.6129
Maximum atom distance is 6.0897Å 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 125.812 O4 C2 O6 125.812
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H9 128.693 C1 O5 H10 110.947
C2 O4 H10 128.693 C2 O6 H9 110.947
O3 C1 H7 122.406 O3 H9 O6 174.548
O4 C2 H8 122.406 O4 H10 O5 174.548
O5 C1 H7 111.781 O6 C2 H8 111.781

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