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Geometry for CH2(OH)2 (methanediol) 1A C2

1910171554
InChI=1S/CH4O2/c2-1-3/h2-3H,1H2 INChIKey=CKFGINPQOCXMAZ-UHFFFAOYSA-N

MP4/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5496   0.0000 0.5496 0.0000
O2 0.0000 1.2137 -0.2520   1.2128 -0.2520 0.0464
O3 0.0000 -1.2137 -0.2520   -1.2128 -0.2520 -0.0464
H4 -0.8940 -0.0965 1.1795   -0.0622 1.1795 -0.8970
H5 0.8940 0.0965 1.1795   0.0622 1.1795 0.8970
H6 -0.8231 1.1895 -0.8125   1.2200 -0.8125 -0.7771
H7 0.8231 -1.1895 -0.8125   -1.2200 -0.8125 0.7771
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4545 1.4545 1.0979 1.0979 1.9868 1.9868
O2 1.4545 2.4275 2.1365 2.0240 0.9961 2.6014
O3 1.4545 2.4275 2.0240 2.1365 2.6014 0.9961
H4 1.0979 2.1365 2.0240 1.7984 2.3720 2.8480
H5 1.0979 2.0240 2.1365 1.7984 2.8480 2.3720
H6 1.9868 0.9961 2.6014 2.3720 2.8480 2.8930
H7 1.9868 2.6014 0.9961 2.8480 2.3720 2.8930
Maximum atom distance is 2.8930Å between atoms H6 and H7.
picture of methanediol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 O3 113.119
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 106.844 C1 O3 H7 106.844
O2 C1 H4 112.922 O2 C1 H5 104.055
O3 C1 H4 104.055 O3 C1 H5 112.922
H4 C1 H5 109.979

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