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Geometry for HCCO (ketenyl radical) 2A" CS

1910171554
InChI=1S/C2HO/c1-2-3/h1H INChIKey=QEJQAPYSVNHDJF-UHFFFAOYSA-N

B2PLYP/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0505 0.0000   0.0113 -0.0493 0.0000
C2 1.0704 -0.6806 0.0000   -1.1956 0.4238 0.0000
O3 -1.0678 0.5310 0.0000   1.1595 -0.2786 0.0000
H4 2.1198 -0.4678 0.0000   -2.1707 -0.0184 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4
C1 1.2963 1.1709 2.1822
C2 1.2963 2.4576 1.0708
O3 1.1709 2.4576 3.3404
H4 2.1822 1.0708 3.3404
Maximum atom distance is 3.3404Å between atoms O3 and H4.
picture of ketenyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 O3 169.892
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 134.200

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