We know that due to C3v symmetry, energy levels splits into a1, a2, and e states. How do you identify the approximate energy level of each state (a1, a2 and e1) from Density of states of a particular system?
hi this is the same question I have !!! I am doing gaussian calculation for VOF3 and would like to know how to assign each energy levels based on a1, a2, e?