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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/daug-cc-pVDZ


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 1.2806
C3 0.0000 0.0000 -1.2806
O4 0.0000 0.0000 2.4474
O5 0.0000 0.0000 -2.4474
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2806 1.2806 2.4474 2.4474
C2 1.2806 2.5611 1.1668 3.7279
C3 1.2806 2.5611 3.7279 1.1668
O4 2.4474 1.1668 3.7279 4.8947
O5 2.4474 3.7279 1.1668 4.8947
Maximum atom distance is 4.8947Å 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.