16w _best_: Gaussian

Gaussian 16W is highly sensitive to scratch disk speed. A slow hard drive can make a calculation that takes 10 hours on an SSD take 100 hours on an HDD, even with the same CPU.

Gaussian 16W provides a comprehensive suite of tools for predicting the properties of molecules and chemical reactions: gaussian 16w

is a comprehensive implementation of the Gaussian 16 electronic structure modeling suite specifically designed for the Windows environment . It allows researchers to predict molecular energies, structures, and vibrational frequencies based on the fundamental laws of quantum mechanics. Core Capabilities Gaussian 16W is highly sensitive to scratch disk speed