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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

MP2/LANL2DZ


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 1.2972
C3 0.0000 0.0000 -1.2972
O4 0.0000 0.0000 2.5151
O5 0.0000 0.0000 -2.5151
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2972 1.2972 2.5151 2.5151
C2 1.2972 2.5945 1.2178 3.8123
C3 1.2972 2.5945 3.8123 1.2178
O4 2.5151 1.2178 3.8123 5.0301
O5 2.5151 3.8123 1.2178 5.0301
Maximum atom distance is 5.0301Å 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.