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Geometry for HCCO (ketenyl radical) 2A" CS

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

B2PLYP/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0494 0.0000   -0.0233 0.0436 0.0000
C2 1.0671 -0.6880 0.0000   1.2654 -0.1049 0.0000
O3 -1.0657 0.5417 0.0000   -1.1953 -0.0236 0.0000
H4 2.1230 -0.5023 0.0000   2.1096 0.5559 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4
C1 1.2972 1.1739 2.1935
C2 1.2972 2.4620 1.0721
O3 1.1739 2.4620 3.3553
H4 2.1935 1.0721 3.3553
Maximum atom distance is 3.3553Å 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 170.146
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 135.377

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