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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/6-31+G**


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
H1 -1.0716 -0.4546 -0.0001
O2 -1.8093 0.1747 -0.0002
O3 0.9291 -0.6903 -0.0000
H4 -2.6132 -0.3544 0.0012
C5 1.2979 0.4816 0.0001
H6 0.5756 1.3057 0.0004
H7 2.3640 0.7380 -0.0002
Atom - Atom Distances (Å)
  H1 O2 O3 H4 C5 H6 H7
H1 0.9697 2.0146 1.5448 2.5477 2.4108 3.6367
O2 0.9697 2.8718 0.9624 3.1223 2.6395 4.2112
O3 2.0146 2.8718 3.5581 1.2285 2.0270 2.0246
H4 1.5448 0.9624 3.5581 3.9994 3.5950 5.0956
C5 2.5477 3.1223 1.2285 3.9994 1.0958 1.0965
H6 2.4108 2.6395 2.0270 3.5950 1.0958 1.8763
H7 3.6367 4.2112 2.0246 5.0956 1.0965 1.8763
Maximum atom distance is 5.0956Å 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.