# Molecule : Ketene # 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 A_2 3.89 1 1 A_1 1 1 B_1 5.83 1 1 A_1 2 1 A_2 7.05 1 1 A_1 1 3 A_2 3.79 1 1 A_1 1 3 A_1 5.62 1 1 A_1 1 3 B_1 5.63 1 1 A_1 2 3 A_2 7.01 1 1 A_1 1 1 A''[\mathrm{F}]1.0