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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

B2PLYP/cc-pVTZ


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 1.2732
C3 0.0000 0.0000 -1.2732
O4 0.0000 0.0000 2.4383
O5 0.0000 0.0000 -2.4383
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2732 1.2732 2.4383 2.4383
C2 1.2732 2.5464 1.1651 3.7115
C3 1.2732 2.5464 3.7115 1.1651
O4 2.4383 1.1651 3.7115 4.8766
O5 2.4383 3.7115 1.1651 4.8766
Maximum atom distance is 4.8766Å 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.