# Molecule : Ethylene # Comment : # code : Dalton # method : CC3(FC),d-aug-cc-pVQZ # geom : CC3,aug-cc-pVTZ # DOI : 10.1021/acs.jctc.8b00406 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe ####################### ####################### ######################################## ############# ####### ################### ############## # Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe 1 1 A_g 1 1 B_{3u} (\pi \rightarrow 3s) 7.37 _ _ false 1 1 A_g 1 1 B_{1u} (\pi \rightarrow \pi^\star) 7.90 _ _ false 1 1 A_g 1 1 B_{1g} (\pi \rightarrow 3p) 8.03 _ _ false 1 1 A_g 1 3 B_{1u} (\pi \rightarrow \pi^\star) 4.54 _ _ false 1 1 A_g 1 3 B_{3u} (\pi \rightarrow 3s) 7.26 _ _ false 1 1 A_g 1 3 B_{1g} (\pi \rightarrow 3p) 7.99 _ _ false