# Molecule : Ethylene # Comment : # code : MRCC # method : CCSDT,aug-cc-pVDZ # geom : CC3,aug-cc-pVTZ # set : QUEST#1,0 # Initial state Final state Transition Energies (eV) %T1 Oscillator strength 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) 7.29 _ _ false 1 1 A_g 1 1 B_{1u} (\pi \rightarrow \pi^\star) 7.94 _ _ false 1 1 A_g 1 1 B_{1g} (\pi \rightarrow 3p) 7.98 _ _ 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) 7.18 _ _ false 1 1 A_g 1 3 B_{1g} (\pi \rightarrow 3p) 7.94 _ _ false