# Molecule : Thiophene # Comment : # code : # method : Th.$^o$,Litt. # 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 A_1 (\pi \rightarrow \pi^\star) 5.64 _ _ false 1 1 A_1 1 1 B_2 (\pi \rightarrow \pi^\star) 5.97 _ _ false 1 1 A_1 1 1 A_2 (\pi \rightarrow 3s) 6.23 _ _ false 1 1 A_1 1 1 B_1 (\pi \rightarrow 3p) 6.17 _ _ false 1 1 A_1 1 1 A_2 (\pi \rightarrow 3p) 6.33 _ _ false 1 1 A_1 1 1 B_1 (\pi \rightarrow 3s) 6.68 _ _ false 1 1 A_1 1 1 B_2 (\pi \rightarrow 3p) 6.97 _ _ false 1 1 A_1 2 1 A_1 (\pi \rightarrow \pi^\star) 7.74 _ _ false 1 1 A_1 1 3 B_2 (\pi \rightarrow \pi^\star) 3.96 _ _ false 1 1 A_1 1 3 A_1 (\pi \rightarrow \pi^\star) 4.87 _ _ false 1 1 A_1 1 3 B_1 (\pi \rightarrow 3p) 6.01 _ _ false 1 1 A_1 1 3 A_2 (\pi \rightarrow 3s) 5.83 _ _ false