Hello everybody,

I am looking for a way to compute the correction to the thermal correction to Gibbs free energy (as computed in a Gaussian frequency calculation). To this end, I called "aofroce" after optimizing the geometry geometry (RI-BP / TZVP) and then the "freeh" module. However "aoforce" turned out to be quiet time consuming. I am not sure what exactly "aoforce" calculates, and finally I am only interested in the correction to the thermal correction to Gibbs free energy. Therefore I was wondering if there is exists a more efficient way (parameter-set) for "aoforce" or "NumForce" to only perform the required calculations for enabling "freeh" to compute the energy correction.

Any hint is greatly appreciated, and thanks for your advise in advance!

Best regards,

Manuel