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Molecules Tested | Experimental Values

Benzene | -0.86 kcal/mol

Biphenyl | -2.7 kval/mol

p-xylene | -0.8 kcal/mol

4-ethyltoluene | -0.95 kcal/mol

4-hydroxybenzaldehyde | -8.83 kcal/mol

4-methylbenzaldehyde | -4.27 kcal/mol

4-ethylphenol | -6.13 kcal/mol

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