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

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

B2PLYP/6-31G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.6530
O2 0.0000 0.0000 0.4897
Atom - Atom Distances (Å)
  C1 O2
C1 1.1427
O2 1.1427
Maximum atom distance is 1.1427Å 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.