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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/CEP-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 1.3107
C3 0.0000 0.0000 -1.3107
O4 0.0000 0.0000 2.5068
O5 0.0000 0.0000 -2.5068
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.3107 1.3107 2.5068 2.5068
C2 1.3107 2.6214 1.1961 3.8175
C3 1.3107 2.6214 3.8175 1.1961
O4 2.5068 1.1961 3.8175 5.0136
O5 2.5068 3.8175 1.1961 5.0136
Maximum atom distance is 5.0136Å 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.