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

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

mPW1PW91/6-31G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -0.6483
O2 0.0000 0.0000 0.4862
Atom - Atom Distances (Å)
  C1 O2
C1 1.1345
O2 1.1345
Maximum atom distance is 1.1345Å 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.