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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

MP2/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5709 -1.1146 0.0000   -1.9035 -0.2945 0.0000
C2 -1.5709 1.1146 0.0000   1.9035 0.2945 0.0000
O3 1.5709 0.0982 0.0000   -1.0588 -1.1647 0.0000
O4 -1.5709 -0.0982 0.0000   1.0588 1.1647 0.0000
O5 0.5190 -1.9033 0.0000   -1.6982 1.0041 0.0000
O6 -0.5190 1.9033 0.0000   1.6982 -1.0041 0.0000
H7 2.4947 -1.7059 0.0000   -2.9782 -0.5137 0.0000
H8 -2.4947 1.7059 0.0000   2.9782 0.5137 0.0000
H9 0.2892 1.3467 0.0000   0.7305 -1.1677 0.0000
H10 -0.2892 -1.3467 0.0000   -0.7305 1.1677 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 O6 H7 H8 H9 H10
C1 3.8523 1.2128 3.3022 1.3148 3.6709 1.0968 4.9482 2.7750 1.8746
C2 3.8523 3.3022 1.2128 3.6709 1.3148 4.9482 1.0968 1.8746 2.7750
O3 1.2128 3.3022 3.1480 2.2611 2.7616 2.0268 4.3720 1.7893 2.3554
O4 3.3022 1.2128 3.1480 2.7616 2.2611 4.3720 2.0268 2.3554 1.7893
O5 1.3148 3.6709 2.2611 2.7616 3.9457 1.9855 4.7020 3.2582 0.9814
O6 3.6709 1.3148 2.7616 2.2611 3.9457 4.7020 1.9855 0.9814 3.2582
H7 1.0968 4.9482 2.0268 4.3720 1.9855 4.7020 6.0444 3.7660 2.8070
H8 4.9482 1.0968 4.3720 2.0268 4.7020 1.9855 6.0444 2.8070 3.7660
H9 2.7750 1.8746 1.7893 2.3554 3.2582 0.9814 3.7660 2.8070 2.7549
H10 1.8746 2.7750 2.3554 1.7893 0.9814 3.2582 2.8070 3.7660 2.7549
Maximum atom distance is 6.0444Å 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 126.864 O4 C2 O6 126.864
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H9 134.249 C1 O5 H10 108.583
C2 O4 H10 134.249 C2 O6 H9 108.583
O3 C1 H7 122.621 O3 H9 O6 170.304
O4 C2 H8 122.621 O4 H10 O5 170.304
O5 C1 H7 110.515 O6 C2 H8 110.515

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