# Molecule : Thiophene # Comment : # code : # method : CC3(FC),aug-cc-pVQZ # 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) 5.94 _ _ false 1 1 A_1 1 1 A_2 (\pi \rightarrow 3s) 6.16 _ _ false 1 1 A_1 1 1 B_1 (\pi \rightarrow 3p) 6.11 _ _ false 1 1 A_1 1 1 A_2 (\pi \rightarrow 3p) 6.22 _ _ false 1 1 A_1 1 1 B_1 (\pi \rightarrow 3s) 6.53 _ _ false 1 1 A_1 1 1 B_2 (\pi \rightarrow 3p) 7.18 _ _ false 1 1 A_1 2 1 A_1 (\pi \rightarrow \pi^\star) 7.33 _ _ false 1 1 A_1 1 3 B_2 (\pi \rightarrow \pi^\star) 3.93 _ _ false 1 1 A_1 1 3 A_1 (\pi \rightarrow \pi^\star) 4.77 _ _ false 1 1 A_1 1 3 B_1 (\pi \rightarrow 3p) 5.92 _ _ false 1 1 A_1 1 3 A_2 (\pi \rightarrow 3s) 5.99 _ _ false