The g vectors computed using LR-TDDFT are more than ten times greater in length than those obtained with SF-BH&HLYP, indicating significantly larger slope along the potential surface in the g direction when using LR-TDDFT. Small magnitude of the h vectors, especially when the TDA is applied, is a sign of nearly zero interaction between the reference state and the excited state. In contrast, SF-BH&HLYP predicts topography around MECP(C 2 C 3 ) that is similar to CASSCF, as can be seen from the parameters listed in Table .