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

QCISD/6-31+G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.4295
C2 0.0000 0.0000 -0.0580
O3 0.0000 0.0000 1.1157
Atom - Atom Distances (Å)
  C1 C2 O3
C1 1.3715 2.5452
C2 1.3715 1.1737
O3 2.5452 1.1737
Maximum atom distance is 2.5452Å 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.