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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

QCISD/cc-pVDZ


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 1.2905
C3 0.0000 0.0000 -1.2905
O4 0.0000 0.0000 2.4607
O5 0.0000 0.0000 -2.4607
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2905 1.2905 2.4607 2.4607
C2 1.2905 2.5810 1.1702 3.7512
C3 1.2905 2.5810 3.7512 1.1702
O4 2.4607 1.1702 3.7512 4.9214
O5 2.4607 3.7512 1.1702 4.9214
Maximum atom distance is 4.9214Å 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.