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 CO (Carbon monoxide) 1Σ C*V

1910171554
InChI=1S/CO/c1-2 INChIKey=UGFAIRIUMAVXCW-UHFFFAOYSA-N

PBEPBE/6-31G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.6679
O2 0.0000 0.0000 0.5009
Atom - Atom Distances (Å)
  C1 O2
C1 1.1688
O2 1.1688
Maximum atom distance is 1.1688Å between atoms C1 and O2.
picture of Carbon monoxide

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