# Molecule : Formaldehyde # Comment : Fluores cence energies of the formaldehyde molecule # code : MRCC # method : exFCI,aug-cc-pVDZ # geom : # DOI : 10.1021/acs.jctc.8b00406 # Initial state Final state Energies (eV) ####################### ####################### ############### # Spin Number Symm Spin Number Symm E_fluo 1 1 A_1 1 1 A'' 2.86