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Geometry for CH2OH (Hydroxymethyl radical) 2A C1

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

B3LYPultrafine/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6837 0.0278 -0.0712   -0.6792 0.0667 -0.0868
O2 -0.6719 -0.1260 0.0239   0.6633 -0.1630 0.0368
H3 1.2327 -0.8976 0.1138   -1.2818 -0.8313 0.0632
H4 1.1293 0.9954 0.1864   -1.0782 1.0512 0.1830
H5 -1.0889 0.7432 -0.0639   1.1287 0.6839 -0.0204
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5
C1 1.3676 1.0918 1.0960 1.9115
O2 1.3676 2.0569 2.1280 0.9680
H3 1.0918 2.0569 1.8972 2.8484
H4 1.0960 2.1280 1.8972 2.2464
H5 1.9115 0.9680 2.8484 2.2464
Maximum atom distance is 2.8484Å 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 108.641 O2 C1 H3 113.035
O2 C1 H4 119.075 H3 C1 H4 120.268

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