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Geometry for CO (Carbon monoxide) 1Σ C*V

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

B3LYP/Def2TZVPP


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.6441
O2 0.0000 0.0000 0.4831
Atom - Atom Distances (Å)
  C1 O2
C1 1.1272
O2 1.1272
Maximum atom distance is 1.1272Å 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.