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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

B3PW91/6-31G*


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 1.2773
C3 0.0000 0.0000 -1.2773
O4 0.0000 0.0000 2.4458
O5 0.0000 0.0000 -2.4458
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2773 1.2773 2.4458 2.4458
C2 1.2773 2.5546 1.1685 3.7231
C3 1.2773 2.5546 3.7231 1.1685
O4 2.4458 1.1685 3.7231 4.8916
O5 2.4458 3.7231 1.1685 4.8916
Maximum atom distance is 4.8916Å 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.