Computation for estimating vertical/adiabatic ionization potential (IP) and electronic affinity (EA) is also automated in QCforever through the method called as ∆SCF. Vertical IP (V IP) and EA (V EA) are the energetic difference between the ground state and the positively/negatively charged state (assuming the ground state is a neutral and singlet state) at the same structure as shown in Figure by using the following equations.