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Geometry for CH2OH (Hydroxymethyl radical) 2A C1

1910171554
InChI=1S/CH3O/c1-2/h2H,1H2 INChIKey=CBOIHMRHGLHBPB-UHFFFAOYSA-N

B3LYP/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6868 0.0276 -0.0564   0.6881 -0.0076 -0.0453
O2 0.6727 -0.1261 0.0197   -0.6786 -0.0909 0.0073
H3 -1.2414 -0.8950 0.0881   1.1914 -0.9601 0.0931
H4 -1.1232 1.0047 0.1486   1.1715 0.9421 0.1819
H5 1.1038 0.7337 -0.0563   -1.0629 0.7914 -0.0617
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5
C1 1.3702 1.0862 1.0896 1.9247
O2 1.3702 2.0639 2.1262 0.9649
H3 1.0862 2.0639 1.9044 2.8590
H4 1.0896 2.1262 1.9044 2.2527
H5 1.9247 0.9649 2.8590 2.2527
Maximum atom distance is 2.8590Å between atoms H3 and H5.
picture of Hydroxymethyl radical
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
C1 O2 H5 109.811 O2 C1 H3 113.827
O2 C1 H4 119.180 H3 C1 H4 122.152

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