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Geometry for CH2OH (Hydroxymethyl radical) 2A C1

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

B3LYPultrafine/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6850 0.0280 -0.0601   -0.6870 -0.0076 -0.0414
O2 -0.6704 -0.1254 0.0225   0.6766 -0.0894 0.0015
H3 1.2345 -0.8883 0.0877   -1.1824 -0.9559 0.0954
H4 1.1221 0.9933 0.1627   -1.1687 0.9265 0.2194
H5 -1.1033 0.7303 -0.0698   1.0603 0.7906 -0.0784
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5
C1 1.3666 1.0786 1.0829 1.9213
O2 1.3666 2.0531 2.1177 0.9634
H3 1.0786 2.0531 1.8864 2.8478
H4 1.0829 2.1177 1.8864 2.2529
H5 1.9213 0.9634 2.8478 2.2529
Maximum atom distance is 2.8478Å 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 109.884 O2 C1 H3 113.680
O2 C1 H4 119.207 H3 C1 H4 121.566

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