# Molecule : Benzene # Comment : # code : # method : CC3,aug-cc-pVDZ # 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) 5.11 _ _ false 1 1 A_1 1 1 B_{1u} (\pi \rightarrow \pi^\star) 6.50 _ _ false 1 1 A_1 1 1 E_{1g} (\pi \rightarrow 3s) 6.46 _ _ false 1 1 A_1 1 1 A_{2u} (\pi \rightarrow 3p) 7.02 _ _ false 1 1 A_1 1 1 E_{2u} (\pi \rightarrow 3p) 7.09 _ _ false 1 1 A_1 1 3 B_{1u} (\pi \rightarrow \pi^\star) 4.19 _ _ false 1 1 A_1 1 3 E_{1u} (\pi \rightarrow \pi^\star) 4.89 _ _ false 1 1 A_1 1 3 B_{2u} (\pi \rightarrow \pi^\star) 5.86 _ _ false