# Molecule : Benzene # Comment : # code : # method : CC3,aug-cc-pVTZ # geom : # DOI : # 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_1 1 1 B_{2u} (\pi \rightarrow \pi^\star) 5.09 _ _ false 1 1 A_1 1 1 B_{1u} (\pi \rightarrow \pi^\star) 6.44 _ _ false 1 1 A_1 1 1 E_{1g} (\pi \rightarrow 3s) 6.52 _ _ false 1 1 A_1 1 1 A_{2u} (\pi \rightarrow 3p) 7.08 _ _ false 1 1 A_1 1 1 E_{2u} (\pi \rightarrow 3p) 7.15 _ _ false 1 1 A_1 1 3 B_{1u} (\pi \rightarrow \pi^\star) 4.18 _ _ false 1 1 A_1 1 3 E_{1u} (\pi \rightarrow \pi^\star) 4.86 _ _ false 1 1 A_1 1 3 B_{2u} (\pi \rightarrow \pi^\star) 5.81 _ _ false