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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=FULL/6-31G(2df,p)


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 1.2719
C3 0.0000 0.0000 -1.2719
O4 0.0000 0.0000 2.4377
O5 0.0000 0.0000 -2.4377
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2719 1.2719 2.4377 2.4377
C2 1.2719 2.5439 1.1657 3.7096
C3 1.2719 2.5439 3.7096 1.1657
O4 2.4377 1.1657 3.7096 4.8753
O5 2.4377 3.7096 1.1657 4.8753
Maximum atom distance is 4.8753Å 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.