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

mPW1PW91/6-311G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.4142
C2 0.0000 0.0000 -0.0553
O3 0.0000 0.0000 1.1021
Atom - Atom Distances (Å)
  C1 C2 O3
C1 1.3589 2.5163
C2 1.3589 1.1574
O3 2.5163 1.1574
Maximum atom distance is 2.5163Å 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.