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 HCO (Formyl radical) 2A' CS

1910171554
InChI=1S/CHO/c1-2/h1H INChIKey=CFHIDWOYWUOIHU-UHFFFAOYSA-N

wB97X-D/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0622 0.5837 0.0000   0.5730 0.1277 0.0000
H2 -0.8703 1.2140 0.0000   1.3046 -0.7275 0.0000
O3 0.0622 -0.5896 0.0000   -0.5928 -0.0049 0.0000
Atom - Atom Distances (Å)
  C1 H2 O3
C1 1.1255 1.1733
H2 1.1255 2.0303
O3 1.1733 2.0303
Maximum atom distance is 2.0303Å between atoms H2 and O3.
picture of Formyl 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
H2 C1 O3 124.057

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