# Molecule : Methylenecyclopropene # Comment : # code : CFOUR # method : CC3,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 B_2 (\pi \rightarrow \pi^\star) 4.32 _ _ false 1 1 A_1 1 1 B_1 (\pi \rightarrow 3s) 5.35 _ _ false 1 1 A_1 1 1 A_2 (\pi \rightarrow 3p) 5.86 _ _ false 1 1 A_1 2 1 A_1 (\pi \rightarrow \pi^\star) 6.15 _ _ false 1 1 A_1 1 3 B_2 (\pi \rightarrow \pi^\star) 3.49 _ _ false 1 1 A_1 1 3 A_1 (\pi \rightarrow \pi^\star) 4.74 _ _ false