We also compute vertical excitations for a variety of organic chromophores. All of these systems were included in a prior comparison between MC-PDFT and CASPT2. We only consider singlet-singlet excitations in this work. We use the jul-cc-pVTZ basis set for all valence excitations, the aug-cc-pVTZ basis set for water, the 6-31+G** basis set for p-nitroaniline (pNA) and 4-(dimethylamino)benzonitrile (DMABN), and the aug-cc-pVDZ basis set for the donor-acceptor complex of benzene (B) and tetracyanoethylene (TCNE). All vertical excitations are calculated using the SA-CASSCF ground-state geometry and were performed using C 1 symmetry. Additional information regarding the active space for each system is listed in Table . (commit dd0d9f1b154). Geometry optimizations were performed with the geomeTRIC 47 plugin (version 1.0) for PySCF. The XMS-PDFT and XMS-CASPT2 calculations for acetylene were performed in OpenMolcas (Version 22.10) (tag 462-g00b34a15f). All PDFT calculations used the tPBE functional. In PySCF a numerical quadrature grid size of 6 (80/120 radial and 770/974 angular for atoms of period 1/2 respectively) was used. In OpenMolcas, the 'ultrafine' numerical quadrature grid (99 radial shells and 590 angular points for each atom, and a crowding factor of 10 and a fade factor of 10 for pruning angular grids) was used.