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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

B3LYP/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 0.5439   0.5435 -0.0213 0.0000
O2 0.0000 1.2026 -0.2488   -0.2486 0.0097 1.2026
O3 0.0000 -1.2026 -0.2488   -0.2486 0.0097 -1.2026
H4 -0.8893 -0.1006 1.1751   1.1395 -0.9346 -0.1006
H5 0.8893 0.1006 1.1751   1.2090 0.8426 0.1006
H6 -0.8189 1.1797 -0.8164   -0.8478 -0.7864 1.1797
H7 0.8189 -1.1797 -0.8164   -0.7837 0.8502 -1.1797
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6 H7
C1 1.4404 1.4404 1.0952 1.0952 1.9780 1.9780
O2 1.4404 2.4052 2.1253 2.0082 0.9967 2.5822
O3 1.4404 2.4052 2.0082 2.1253 2.5822 0.9967
H4 1.0952 2.1253 2.0082 1.7899 2.3686 2.8370
H5 1.0952 2.0082 2.1253 1.7899 2.8370 2.3686
H6 1.9780 0.9967 2.5822 2.3686 2.8370 2.8721
H7 1.9780 2.5822 0.9967 2.8370 2.3686 2.8721
Maximum atom distance is 2.8721Å 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 113.219
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 107.109 C1 O3 H7 107.109
O2 C1 H4 113.198 O2 C1 H5 103.917
O3 C1 H4 103.917 O3 C1 H5 113.198
H4 C1 H5 109.607

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