The theory outlined in the previous section has been implemented in a development version of OpenMolcas. The latest version of the developed code and example files can be found on GitHub () All CASSCF and CASPT2 results were obtained using this version, which utilizes atomic compact Cholesky decomposition to generate on-the-fly auxiliary basis sets for the resolution-of-the-identity treatment of electron repulsion integrals. All CASPT2 calculations employed the frozen core approximation, and the IPEA shift parameter was set to 0.00 unless otherwise noted. Symmetry constraints were not applied, and Löwdin's canonical orthonormalization was used to orthonormalize the internally contracted basis. A recently introduced gradient-enhanced Kriging approach was applied to locate stationary points. Nearly all PCM options were used as defaults, except that the "COND" (conductor-PCM) and "PAUL" (Pauling atomic radii) options were explicitly activated.