# Molecule : Formamide # Comment : # code : MRCC # method : exFCI,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 # Initial state Final state Energies (eV) ####################### ####################### ############### # Number Spin Symm Number Spin Symm E_abs 1 1 A_1 1 1 A'' 5.7 1 1 A_1 2 1 A' 7.63 1 1 A_1 1 3 A'' 5.4 1 1 A_1 1 3 A' 5.7