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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

CCD/6-31+G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5353   0.0000 0.5353 0.0000
O2 0.0000 1.1703 -0.2478   1.1694 -0.2478 0.0471
O3 0.0000 -1.1703 -0.2478   -1.1694 -0.2478 -0.0471
H4 -0.8910 -0.0729 1.1587   -0.0370 1.1587 -0.8932
H5 0.8910 0.0729 1.1587   0.0370 1.1587 0.8932
H6 -0.8021 1.1709 -0.7824   1.2022 -0.7824 -0.7543
H7 0.8021 -1.1709 -0.7824   -1.2022 -0.7824 0.7543
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4082 1.4082 1.0899 1.0899 1.9367 1.9367
O2 1.4082 2.3406 2.0779 1.9941 0.9639 2.5319
O3 1.4082 2.3406 1.9941 2.0779 2.5319 0.9639
H4 1.0899 2.0779 1.9941 1.7880 2.3071 2.8000
H5 1.0899 1.9941 2.0779 1.7880 2.8000 2.3071
H6 1.9367 0.9639 2.5319 2.3071 2.8000 2.8386
H7 1.9367 2.5319 0.9639 2.8000 2.3071 2.8386
Maximum atom distance is 2.8386Å 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 112.421
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 107.995 C1 O3 H7 107.995
O2 C1 H4 111.941 O2 C1 H5 105.221
O3 C1 H4 105.221 O3 C1 H5 111.941
H4 C1 H5 110.225

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