Calculating delta G from frequency calculation.

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3:46:24 PM PDT - Mon, May 13th 2013
Quote:DouDou May 13th 3:45 pm Quote:Beckmw May 13th 3:29 pm So then my Delta G with the posted data is 30.880 - T* 49.384? I just want to make sure I am using the right values. yes but make sure you are using the same energy units!! deltaH is kcal/mol, and deltaS is cal/mol.K Oh wow good catch! Thank you!