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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

B3LYP/SDD


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 1.2836
C3 0.0000 0.0000 -1.2836
O4 0.0000 0.0000 2.4796
O5 0.0000 0.0000 -2.4796
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2836 1.2836 2.4796 2.4796
C2 1.2836 2.5672 1.1960 3.7631
C3 1.2836 2.5672 3.7631 1.1960
O4 2.4796 1.1960 3.7631 4.9591
O5 2.4796 3.7631 1.1960 4.9591
Maximum atom distance is 4.9591Å 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.