Geometry optimization in excited states was carried out using time-dependent density functional theory (TDDFT) method within the Tamm-Dancoff approximation, as implemented in the WEST code. The equilibrium atomic geometries of excited states were obtained by minimizing the nuclear forces below the threshold of 0.01 eV/ Å. CAS-DMET calculations for singlet-singlet excitations are performed using the CAS (2e, 5o) with a state average over five states with equal weights. For singlet-triplet excitations, state average over five singlet and four triplet states is used with the same active space and equal weight on each of the nine states.