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Geometry for HCCO (ketenyl radical) 2A" CS

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

B2PLYP=FULL/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0503 0.0000   0.0215 -0.0454 0.0000
C2 1.0809 -0.6621 0.0000   -1.2602 0.1356 0.0000
O3 -1.0763 0.5136 0.0000   1.1926 -0.0034 0.0000
H4 2.1256 -0.4380 0.0000   -2.1085 -0.5140 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4
C1 1.2945 1.1718 2.1809
C2 1.2945 2.4568 1.0684
O3 1.1718 2.4568 3.3403
H4 2.1809 1.0684 3.3403
Maximum atom distance is 3.3403Å 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 169.905
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 134.511

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