# Molecule : Ketene # Comment : # code : Dalton # method : CC3,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_2 3.88 1 1 A_1 1 1 B_1 5.96 1 1 A_1 2 1 A_2 7.16 1 1 A_1 1 3 A_2 3.78 1 1 A_1 1 3 A_1 5.61 1 1 A_1 1 3 B_1 5.76 1 1 A_1 2 3 A_2 7.12 1 1 A_1 1 1 A''[\mathrm{F}]1.0