Gaussian 16 Revision C.01 [hot]

Gaussian 16 is designed to predict the energies, molecular structures, and vibrational frequencies of chemical systems based on the fundamental laws of quantum mechanics. Key applications include:

: This revision significantly expanded the DFT toolkit with several new functionals, including the M08 family, MN15, and MN15L . It also introduced new double-hybrid methods such as DSDPBEP86 and PBE0DH. For faster, approximate calculations, Rev. C.01 added the PM7 semi-empirical method to its arsenal. gaussian 16 revision c.01

Mastering Computational Chemistry with Gaussian 16 Revision C.01 Gaussian 16 is designed to predict the energies,