Dear jmisiewicz,
I want to calculate the Duschinsky matrix between two sets of normal modes. I will read force constant matrix and frequency information from other quantum chemical software. The final purpose are to calculate Duschinsky matrix and decomposite reorganization energy. The reference is “J. Chem. Phys. 115, 9103 (2001)”. Can you provide some suggestions for me? Thanks a lot.
Best
Taipng