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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/6-31+G**


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 1.2789
C3 0.0000 0.0000 -1.2789
O4 0.0000 0.0000 2.4553
O5 0.0000 0.0000 -2.4553
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2789 1.2789 2.4553 2.4553
C2 1.2789 2.5579 1.1763 3.7342
C3 1.2789 2.5579 3.7342 1.1763
O4 2.4553 1.1763 3.7342 4.9106
O5 2.4553 3.7342 1.1763 4.9106
Maximum atom distance is 4.9106Å 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.