How to calculate absolute rate constant

Hi all,

Can we calculate absolute rate constant using Dmol3?

The following formula is widely known as Eyring Equation

Eyring.png

in order the calculate the rate constant from Eyring Equation we need entalpy of activation.png(Enthalpy of activation) and entrophy of activation.png(Entropy of activation)

How to obtain these two parameters using Dmol3?

If you suggest any other way to calculate rate constant, I'm open to offers.

Thank you very much.