In molecular orbital theory, molecules with an even number of electrons will have bond orders which are whole numbers.

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According to the molecular orbital theory, the bond order is the difference between the number of bonding electrons and the number of antibonding electrons, divided by two. Since only whole numbers of electrons can exist in atomic orbitals, the bond order of molecules with an even number of electrons will always be a whole number.

In Molecular Orbital Theory, Molecules with an Even Number of Electrons