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


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
H1 1.0418 -0.4281 -0.0002
O2 1.7951 0.1764 -0.0007
O3 -0.9177 -0.6829 -0.0001
H4 2.5666 -0.3906 0.0047
C5 -1.2851 0.4735 0.0003
H6 -0.5635 1.3006 0.0011
H7 -2.3531 0.7289 -0.0002
Atom - Atom Distances (Å)
  H1 O2 O3 H4 C5 H6 H7
H1 0.9659 1.9760 1.5253 2.4954 2.3590 3.5866
O2 0.9659 2.8457 0.9575 3.0945 2.6128 4.1848
O3 1.9760 2.8457 3.4966 1.2133 2.0148 2.0133
H4 1.5253 0.9575 3.4966 3.9475 3.5577 5.0455
C5 2.4954 3.0945 1.2133 3.9475 1.0977 1.0981
H6 2.3590 2.6128 2.0148 3.5577 1.0977 1.8787
H7 3.5866 4.1848 2.0133 5.0455 1.0981 1.8787
Maximum atom distance is 5.0455Å 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.