# Molecule : Furan # Comment : # code : CFOUR # method : CCSDT,aug-cc-pVDZ # geom : CC3,aug-cc-pVTZ # set : QUEST#3,0 # Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe ####################### ####################### ######################################## ############# ####### ##################### ############# # Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe 1 1 A_1 1 1 A_2 (\pi \rightarrow 3s) 6.00 _ _ false 1 1 A_1 1 1 B_2 (\pi \rightarrow \pi^\star) 6.39 _ _ false 1 1 A_1 2 1 A_1 (\pi \rightarrow \pi^\star) 6.58 _ _ false 1 1 A_1 1 1 B_1 (\pi \rightarrow 3p) 6.56 _ _ false 1 1 A_1 2 1 A_2 (\pi \rightarrow 3p) 6.74 _ _ false 1 1 A_1 2 1 B_2 (\pi \rightarrow 3p) 7.40 _ _ false 1 1 A_1 1 3 B_2 (\pi \rightarrow \pi^\star) 4.23 _ _ false 1 1 A_1 1 3 A_1 (\pi \rightarrow \pi^\star) 5.49 _ _ false 1 1 A_1 1 3 A_2 (\pi \rightarrow 3s) 5.94 _ _ false 1 1 A_1 1 3 B_1 (\pi \rightarrow 3p) 6.51 _ _ false