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

mPW1PW91/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6803 0.0278 -0.0603   -0.6821 -0.0080 -0.0434
O2 -0.6671 -0.1249 0.0231   0.6733 -0.0889 0.0044
H3 1.2322 -0.8870 0.0859   -1.1801 -0.9545 0.0945
H4 1.1192 0.9919 0.1639   -1.1666 0.9256 0.2135
H5 -1.0959 0.7276 -0.0732   1.0529 0.7877 -0.0823
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5
C1 1.3586 1.0784 1.0827 1.9091
O2 1.3586 2.0475 2.1114 0.9592
H3 1.0784 2.0475 1.8839 2.8377
H4 1.0827 2.1114 1.8839 2.2434
H5 1.9091 0.9592 2.8377 2.2434
Maximum atom distance is 2.8377Å 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 109.711 O2 C1 H3 113.822
O2 C1 H4 119.306 H3 C1 H4 121.317

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