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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

MP2_cp/aug-cc-pVTZ


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
H1 1.0370 -0.4321 -0.0001
O2 1.7912 0.1763 -0.0005
O3 -0.9185 -0.6855 -0.0001
H4 2.5662 -0.3908 0.0030
C5 -1.2806 0.4767 0.0002
H6 -0.5539 1.2993 0.0007
H7 -2.3472 0.7373 -0.0001
Atom - Atom Distances (Å)
  H1 O2 O3 H4 C5 H6 H7
H1 0.9690 1.9718 1.5297 2.4894 2.3513 3.5806
O2 0.9690 2.8434 0.9604 3.0864 2.6001 4.1762
O3 1.9718 2.8434 3.4971 1.2173 2.0181 2.0164
H4 1.5297 0.9604 3.4971 3.9434 3.5484 5.0412
C5 2.4894 3.0864 1.2173 3.9434 1.0977 1.0980
H6 2.3513 2.6001 2.0181 3.5484 1.0977 1.8793
H7 3.5806 4.1762 2.0164 5.0412 1.0980 1.8793
Maximum atom distance is 5.0412Å 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.