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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

MP2/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5302   0.0000 0.5302 0.0000
O2 0.0000 1.1708 -0.2471   1.1700 -0.2471 0.0451
O3 0.0000 -1.1708 -0.2471   -1.1700 -0.2471 -0.0451
H4 -0.8967 -0.0809 1.1698   -0.0464 1.1698 -0.8991
H5 0.8967 0.0809 1.1698   0.0464 1.1698 0.8991
H6 -0.8048 1.1248 -0.7840   1.1549 -0.7840 -0.7609
H7 0.8048 -1.1248 -0.7840   -1.1549 -0.7840 0.7609
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4054 1.4054 1.1044 1.1044 1.9079 1.9079
O2 1.4054 2.3417 2.0925 1.9999 0.9686 2.4912
O3 1.4054 2.3417 1.9999 2.0925 2.4912 0.9686
H4 1.1044 2.0925 1.9999 1.8007 2.2977 2.7932
H5 1.1044 1.9999 2.0925 1.8007 2.7932 2.2977
H6 1.9079 0.9686 2.4912 2.2977 2.7932 2.7661
H7 1.9079 2.4912 0.9686 2.7932 2.2977 2.7661
Maximum atom distance is 2.7932Å between atoms H4 and H7.
picture of methanediol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 O3 112.841
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 105.483 C1 O3 H7 105.483
O2 C1 H4 112.420 O2 C1 H5 105.026
O3 C1 H4 105.026 O3 C1 H5 112.420
H4 C1 H5 109.218

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