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Geometry for HCCO (ketenyl radical) 2Π C*V

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

mPW1PW91/STO-3G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.0157
C2 0.0000 0.0000 -1.2601
O3 0.0000 0.0000 1.2488
H4 0.0000 0.0000 -2.3362
Atom - Atom Distances (Å)
  C1 C2 O3 H4
C1 1.2444 1.2645 2.3205
C2 1.2444 2.5089 1.0761
O3 1.2645 2.5089 3.5851
H4 2.3205 1.0761 3.5851
Maximum atom distance is 3.5851Å 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 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 180.000

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