# Molecule : Cyclopentadiene # Comment : # code : # method : CCSDT,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_2 (\pi \rightarrow \pi^\star) 5.60 _ _ false 1 1 A_1 1 1 A_2 (\pi \rightarrow 3s) 5.70 _ _ false 1 1 A_1 1 1 B_1 (\pi \rightarrow 3p) 6.34 _ _ false 1 1 A_1 1 1 A_2 (\pi \rightarrow 3p) 6.39 _ _ false 1 1 A_1 1 1 B_2 (\pi \rightarrow 3p) 6.55 _ _ false 1 1 A_1 1 1 A_1 (\pi \rightarrow \pi^\star) 6.53 _ _ false 1 1 A_1 1 3 B_2 (\pi \rightarrow \pi^\star) 3.31 _ _ false 1 1 A_1 1 3 A_1 (\pi \rightarrow \pi^\star) 5.13 _ _ false 1 1 A_1 1 3 A_2 (\pi \rightarrow 3s) 5.65 _ _ false 1 1 A_1 1 3 B_1 (\pi \rightarrow 3p) 6.30 _ _ false