return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for CCO (Dicarbon monoxide) 3Σ C*V

1910171554
InChI=1S/C2O/c1-2-3 INChIKey=VILAVOFMIJHSJA-UHFFFAOYSA-N

MP2=FULL/cc-pVDZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.4404
C2 0.0000 0.0000 -0.0498
O3 0.0000 0.0000 1.1176
Atom - Atom Distances (Å)
  C1 C2 O3
C1 1.3906 2.5579
C2 1.3906 1.1673
O3 2.5579 1.1673
Maximum atom distance is 2.5579Å between atoms C1 and O3.
picture of Dicarbon monoxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 180.000

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.