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=FULL/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6824 0.0278 -0.0649   0.6777 0.0668 -0.0831
O2 0.6688 -0.1251 0.0255   -0.6601 -0.1621 0.0407
H3 -1.2248 -0.8816 0.0893   1.2728 -0.8152 0.0314
H4 -1.1115 0.9806 0.1811   1.0617 1.0351 0.1765
H5 1.0799 0.7345 -0.0850   -1.1200 0.6762 -0.0351
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5
C1 1.3628 1.0701 1.0735 1.8987
O2 1.3628 2.0402 2.1014 0.9592
H3 1.0701 2.0402 1.8679 2.8203
H4 1.0735 2.1014 1.8679 2.2211
H5 1.8987 0.9592 2.8203 2.2211
Maximum atom distance is 2.8203Å 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 108.461 O2 C1 H3 113.433
O2 C1 H4 118.730 H3 C1 H4 121.240

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