Proceeding to T 1 , we compare data using three different methods: TDDFT/LR-PCM and TDDFT/SS-PCM at the TDDFT/LR-PCM geometry, as well as TDDFT/SS-PCM at the UKS/PCM T 1 geometry. In all cases we find that optimisation of T 1 leads to a slight stabilisation of T 1 obtaining an adiabatic T 1 energy of