UV/vis-to-IR Photonic Down Conversion Mediated by Excited State Vibrational Polaritons: DFT Data

QChem 5.3 output files from DFT calculations of pyrene and 1-pyreneacetic acid along with .xyz files giving the ground state optimized geometry for both molecules. Files ending in "_geoopt_freq.out" are the output files of the ground state geometry optimization and frequency analysis; files ending in "_force.out" are the output files giving the forces of the first electronic excited state on the nuclei; files ending in "_esVib_gsGeo.out" are the output files of the first excited state frequency analysis at the ground state geometry.