return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CH2OH (Hydroxymethyl radical) 2A C1

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

MP2/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6849 0.0284 -0.0750   -0.6873 -0.0072 -0.0558
O2 0.6707 -0.1253 0.0282   0.6769 -0.0898 0.0084
H3 -1.2243 -0.8850 0.1077   -1.1725 -0.9495 0.1318
H4 -1.1141 0.9798 0.2067   -1.1579 0.9175 0.2478
H5 1.0822 0.7366 -0.0899   1.0389 0.7936 -0.1117
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5
C1 1.3682 1.0764 1.0810 1.9038
O2 1.3682 2.0432 2.1068 0.9623
H3 1.0764 2.0432 1.8706 2.8263
H4 1.0810 2.1068 1.8706 2.2295
H5 1.9038 0.9623 2.8263 2.2295
Maximum atom distance is 2.8263Å 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 108.289 O2 C1 H3 112.851
O2 C1 H4 118.199 H3 C1 H4 120.243

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