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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

PBEPBE/6-31G


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 1.2837
C3 0.0000 0.0000 -1.2837
O4 0.0000 0.0000 2.4867
O5 0.0000 0.0000 -2.4867
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2837 1.2837 2.4867 2.4867
C2 1.2837 2.5675 1.2029 3.7704
C3 1.2837 2.5675 3.7704 1.2029
O4 2.4867 1.2029 3.7704 4.9733
O5 2.4867 3.7704 1.2029 4.9733
Maximum atom distance is 4.9733Å 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.