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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

B3LYPultrafine/3-21G


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 1.2687
C3 0.0000 0.0000 -1.2687
O4 0.0000 0.0000 2.4557
O5 0.0000 0.0000 -2.4557
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5
C1 1.2687 1.2687 2.4557 2.4557
C2 1.2687 2.5374 1.1870 3.7244
C3 1.2687 2.5374 3.7244 1.1870
O4 2.4557 1.1870 3.7244 4.9114
O5 2.4557 3.7244 1.1870 4.9114
Maximum atom distance is 4.9114Å 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.