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Geometry for CH3CO (Acetyl radical) 2A' CS

1910171554
InChI=1S/C2H3O/c1-2-3/h1H3 INChIKey=TUCNEACPLKLKNU-UHFFFAOYSA-N

QCISD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0111 -0.6419 0.0000   1.1949 0.0810 0.0000
C2 0.0000 0.5057 0.0000   -0.2415 -0.4443 0.0000
O3 1.2335 0.4443 0.0000   -1.2959 0.1987 0.0000
H4 -0.4962 -1.6175 0.0000   1.2084 1.1841 0.0000
H5 -1.6525 -0.5601 0.8911   1.7193 -0.2971 0.8911
H6 -1.6525 -0.5601 -0.8911   1.7193 -0.2971 -0.8911
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6
C1 1.5295 2.4936 1.1032 1.1009 1.1009
C2 1.5295 1.2350 2.1804 2.1588 2.1588
O3 2.4936 1.2350 2.6912 3.1830 3.1830
H4 1.1032 2.1804 2.6912 1.8026 1.8026
H5 1.1009 2.1588 3.1830 1.8026 1.7822
H6 1.1009 2.1588 3.1830 1.8026 1.7822
Maximum atom distance is 3.1830Å between atoms O3 and H5.
picture of Acetyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 128.535
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 110.790 C2 C1 H5 109.232
C2 C1 H6 109.232 H4 C1 H5 109.733
H4 C1 H6 109.733 H5 C1 H6 108.071

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