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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

BLYP/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 1.2846
C3 0.0000 0.0000 -1.2846
O4 0.0000 0.0000 2.4906
O5 0.0000 0.0000 -2.4906
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2846 1.2846 2.4906 2.4906
C2 1.2846 2.5692 1.2060 3.7753
C3 1.2846 2.5692 3.7753 1.2060
O4 2.4906 1.2060 3.7753 4.9813
O5 2.4906 3.7753 1.2060 4.9813
Maximum atom distance is 4.9813Å 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.