# Molecule : Thioformaldehyde # Comment : Fluorescence energies of the thioformaldehyde molecule # code : MRCC # method : exFCI,aug-cc-pVDZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 # Initial state Final state Energies (eV) ####################### ####################### ############### # Number Spin Symm Number Spin Symm E_fluo 1 1 A_1 1 1 A_2 1.98