# Molecule : Formaldehyde # Comment : # code : Dalton # method : CC3(Full),d-aug-cc-pVQZ # geom : CC3,aug-cc-pVTZ # set : QUEST#1,0 # 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 (n \rightarrow \pi^\star) 3.96 _ _ false 1 1 A_1 1 1 B_2 (n \rightarrow 3s) 7.23 _ _ false 1 1 A_1 2 1 B_2 (n \rightarrow 3p) 8.06 _ _ false 1 1 A_1 2 1 A_1 (n \rightarrow 3p) 8.20 _ _ false 1 1 A_1 2 1 A_2 (n \rightarrow 3p) 8.45 _ _ false 1 1 A_1 1 1 B_1 (\sigma \rightarrow \pi^\star) 9.18 _ _ false 1 1 A_1 3 1 A_1 (\pi \rightarrow \pi^\star) 9.31 _ _ false 1 1 A_1 1 3 A_2 (n \rightarrow \pi^\star) 3.57 _ _ false 1 1 A_1 1 3 A_1 (\pi \rightarrow \pi^\star) 6.06 _ _ false 1 1 A_1 1 3 B_2 (n \rightarrow 3s) 7.09 _ _ false 1 1 A_1 2 3 B_2 (n \rightarrow 3p) 7.96 _ _ false 1 1 A_1 2 3 A_1 (n \rightarrow 3p) 8.11 _ _ false 1 1 A_1 1 3 B_1 (n \rightarrow 3d) 8.41 _ _ false