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Geometry for H2OH2CO (water formaldehyde dimer) 1A C1

1910171554
InChI=1S/CH3O.H2O/c1-2;/h2H,1H2;1H2 INChIKey=WYLNZMAZETZTPE-UHFFFAOYSA-N

HF_cp/6-311+G(3df,2pd)


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
H1 1.1622 -0.3864 -0.0002
O2 1.9184 0.1788 -0.0004
O3 -0.9406 -0.6508 -0.0001
H4 2.6731 -0.3803 0.0025
C5 -1.4010 0.4362 0.0001
H6 -0.7712 1.3263 0.0006
H7 -2.4800 0.5989 -0.0002
Atom - Atom Distances (Å)
  H1 O2 O3 H4 C5 H6 H7
H1 0.9441 2.1193 1.5109 2.6920 2.5829 3.7731
O2 0.9441 2.9769 0.9392 3.3294 2.9241 4.4184
O3 2.1193 2.9769 3.6237 1.1805 1.9844 1.9828
H4 1.5109 0.9392 3.6237 4.1551 3.8438 5.2453
C5 2.6920 3.3294 1.1805 4.1551 1.0905 1.0912
H6 2.5829 2.9241 1.9844 3.8438 1.0905 1.8573
H7 3.7731 4.4184 1.9828 5.2453 1.0912 1.8573
Maximum atom distance is 5.2453Å between atoms H4 and H7.
picture of water formaldehyde dimer
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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