# Molecule : Cyclopropene # Comment : # code : Dalton # method : CC3,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_abs 1 1 A_1 1 1 B_1 6.72 1 1 A_1 1 1 B_2 6.77 1 1 A_1 1 3 B_2 4.34 1 1 A_1 1 3 B_1 6.43