# Molecule : Cyclopropene # 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 B_1 6.6 1 1 A_1 1 1 B_2 6.7 1 1 A_1 1 3 B_2 4.38 1 1 A_1 1 3 B_1 6.45