The embedding potential parameters (atom-centered charges, dipoles, quadrupoles, and anisotropic dipole-dipole polarizabilities) were generated by PyFraME 19 based on the Lo-Prop method. The fragment calculations were performed at the CAM-B3LYP 22 /loprop-6-31+G* level of theory (where loprop-6-31+G* is an ANO-type recontraction of 6-31+G*) using the Dalton program and the LoProp for Dalton Python script. All Cl -and Na + ions were described by the solvent embedding potential (SEP). The Dalton program together with the PE library 27 was used to run a PE-DFT calculation at the CAM-B3LYP 22 /pcseg-2 30 level of theory. The quantum-classical borders in PRSB + in C1C2 and HBDI -in GFP are treated as follows: all charges within 0.5 Å of an atom in the quantum region are redistributed to the three nearest sites while all other parameters are removed. The permanent multipoles and the fully self-consistent induced dipoles were then used to calculate the embedding potential on cubic grids spanning the extent of the atoms in the quantum subsystem plus eight bohr in each direction and with a density of six grid points per bohr. Surface plots were generated using the VMD Molecular Graphics Viewer.