Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries

Less than a second if the user provides the zero-point energies; if zero-point energies are to be computed, the running time depends on the electronic model chemistry used to compute them as well as the efficiency of the Gaussian 09 program, in our test we obtain the results within 10 min by using one node with eight processors for each Gaussian 09 input on Minnesota Supercomputing Institute's Mesabi supercomputer.