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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

wB97X-D/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.6380 -0.9809 0.0000   -1.8598 -0.4315 0.0000
C2 -1.6380 0.9809 0.0000   1.8598 0.4315 0.0000
O3 1.6380 0.2385 0.0000   -1.0131 -1.3090 0.0000
O4 -1.6380 -0.2385 0.0000   1.0131 1.3090 0.0000
O5 0.5869 -1.7595 0.0000   -1.6441 0.8586 0.0000
O6 -0.5869 1.7595 0.0000   1.6441 -0.8586 0.0000
H7 2.5697 -1.5586 0.0000   -2.9314 -0.6628 0.0000
H8 -2.5697 1.5586 0.0000   2.9314 0.6628 0.0000
H9 0.2470 1.2108 0.0000   0.6630 -1.0428 0.0000
H10 -0.2470 -1.2108 0.0000   -0.6630 1.0428 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 O4 O5 O6 H7 H8 H9 H10
C1 3.8184 1.2194 3.3590 1.3080 3.5298 1.0963 4.9146 2.5958 1.8990
C2 3.8184 3.3590 1.2194 3.5298 1.3080 4.9146 1.0963 1.8990 2.5958
O3 1.2194 3.3590 3.3105 2.2576 2.6951 2.0243 4.4099 1.6971 2.3778
O4 3.3590 1.2194 3.3105 2.6951 2.2576 4.4099 2.0243 2.3778 1.6971
O5 1.3080 3.5298 2.2576 2.6951 3.7096 1.9929 4.5797 2.9897 0.9982
O6 3.5298 1.3080 2.6951 2.2576 3.7096 4.5797 1.9929 0.9982 2.9897
H7 1.0963 4.9146 2.0243 4.4099 1.9929 4.5797 6.0108 3.6145 2.8381
H8 4.9146 1.0963 4.4099 2.0243 4.5797 1.9929 6.0108 2.8381 3.6145
H9 2.5958 1.8990 1.6971 2.3778 2.9897 0.9982 3.6145 2.8381 2.4715
H10 1.8990 2.5958 2.3778 1.6971 0.9982 2.9897 2.8381 3.6145 2.4715
Maximum atom distance is 6.0108Å 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 126.532 O4 C2 O6 126.532
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H9 124.955 C1 O5 H10 110.126
C2 O4 H10 124.955 C2 O6 H9 110.126
O3 C1 H7 121.802 O3 H9 O6 178.387
O4 C2 H8 121.802 O4 H10 O5 178.387
O5 C1 H7 111.666 O6 C2 H8 111.666

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