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Below is a table of the bond length of carbon monoxide at the different levels of theory used as well as the accepted value:

Level of Theory	Calculated bond length (Angstroms)
AM1	1.13
PM3	1.13
6-21G	1.25
6-31G	1.25
DZV	1.25
Literature value	1.128

Highest Occupied Molecular Orbital

Lowest Unoccupied Molecular Orbital

Electric potential of carbon monoxide

Vibrational Frequency
Below is a table of the vibrational frequency of carbon monoxide at the DZV level of calculation, as well as the accepted value:

Level of Theory	Virbrational frequency in cm-1
DZV	2265.1702
Literature Value	2265.1700

Potential Energy of Bond Stretching Diagram

Note that the DZV value is the lowest. By the variational principle, this must mean that the DZV calculated value for energy is the most accurate.

Energy Levels
The following table displays a qualitative listing of the molecular orbitals.

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Based on template by A. Herráez as modified by J. Gutow

Page skeleton and JavaScript generated by export to web function using Jmol 12.0.26 2010-11-06 14:33 on Mar 7, 2011.

Using directory /Users/students/Desktop/Alex Luke & Kim Webpage stuff
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      ...adding Carbon_Monoxide_HOMO.spt
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      ...adding Carbon_Monoxide_LUMO.spt
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file:/Users/students/Desktop/Alex & Kim Pchem/Carbon_Monoxide_Vib_DZV.log
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/Users/students/Desktop/Alex Luke & Kim Webpage stuff/Carbon_Monoxide_Vib_DZV.log.gz
/Users/students/Desktop/Alex Luke & Kim Webpage stuff/Carbon_Monoxide_Vib_DZV.log.gz
      ...adding Carbon_Monoxide_Vibrations.spt
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