Potential Energy of Bond Stretching of Oxygen

 

 

 

 

 

Vibrational Frequency (cm-1)
Literature Value1
 1484
Experimental Value
 1767.3

The graph shows the DZV is the best level of theory.  All three levels of theory are displayed.  As the levels of theory increase, the potential energies become lower as expected.  DZV demonstrates the lowest potential due to it having the largest basis set.

 Oxygen


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Reference:
(1) National Institute of Standards and Technology, http://cccbdb.nist.gov/ (Accessed, March 8, 2011)