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Geometry for C3O2 (Carbon suboxide) 1Σg D*H

1910171554
InChI=1S/C3O2/c4-2-1-3-5 INChIKey=GNEVIACKFGQMHB-UHFFFAOYSA-N

PBEPBEultrafine/6-31G(2df,p)


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.0000
C2 0.0000 0.0000 1.2804
C3 0.0000 0.0000 -1.2804
O4 0.0000 0.0000 2.4555
O5 0.0000 0.0000 -2.4555
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2804 1.2804 2.4555 2.4555
C2 1.2804 2.5609 1.1751 3.7360
C3 1.2804 2.5609 3.7360 1.1751
O4 2.4555 1.1751 3.7360 4.9111
O5 2.4555 3.7360 1.1751 4.9111
Maximum atom distance is 4.9111Å between atoms O4 and O5.
picture of Carbon suboxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O4 180.000 C1 C3 O5 180.000
C2 C1 C3 180.000

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