When attempting a TDDFT using the output of a previous OPT, the Gaussian input contains one less hydrogen atom (Hydrogen link atom), thus meaning the input is no longer a singlet state.
Attached files show output of the optimisation, with the OPT_output containing 82 atoms, and the TDDFT_input containing 81 atoms.
When attempting a TDDFT using the output of a previous OPT, the Gaussian input contains one less hydrogen atom (Hydrogen link atom), thus meaning the input is no longer a singlet state.
Attached files show output of the optimisation, with the OPT_output containing 82 atoms, and the TDDFT_input containing 81 atoms.
TDDFT_input.txt OPT_output.txt