Initially an ionized (doublet ground state) state of the molecule (initially with a closed shell ground state before ionization) is computed giving the energy and wave function of |V I 1 as shown in in FIG. . Subsequently, primary and secondary donor spaces and an acceptor space is defined to generate the core-ionized |CI states and the excited valence-ionized states |V I n=1,2,3,... as depicted in FIG. apply the dipole approximation since we are dealing with soft X-rays, and the RIXS spectra are simulated according to the Kramers-Heisenberg formula . "Static RIXS" spectra are calculated simply at the ground state geometry, neglecting the evolution of the nuclear coordinates in the intermediate core-excited state or final state in the RIXS process. Notice however that the spectra are calculated with a localized F1s core-hole, under the assumption that this process is very fast. The F1s orbitals were localized using the Foster Boys Localization . In addition, we also performed simulations of "dynamical RIXS" spectra by inclusion of nuclear dynamics in one dimension, again under the assumption of instantaneous core-hole localization. Importantly, we notice that diffraction between scattering against different fluorine atoms are neglected, but the processes of core-hole localization and multi-center scattering will be considered in future studies. Also dynamics in other degrees of freedom is neglected.