# Molecule : Tetrazine # Comment : # code : # method : Th.$^j$,Litt. # 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_{3u} (n \rightarrow \pi^\star) 2.29 _ _ false 1 1 A_1 1 1 A_{u} (n \rightarrow \pi^\star) 3.41 _ _ false 1 1 A_1 1 1 A_{g} (n,n \rightarrow \pi^\star, \pi^\star) 4.66 _ _ false 1 1 A_1 1 1 B_{1g} (n \rightarrow \pi^\star) 4.53 _ _ false 1 1 A_1 1 1 B_{2u} (\pi \rightarrow \pi^\star) 5.59 _ _ false 1 1 A_1 1 1 B_{2g} (n \rightarrow \pi^\star) 5.59 _ _ false 1 1 A_1 2 1 A_{u} (n \rightarrow \pi^\star) 5.95 _ _ false 1 1 A_1 1 1 B_{3g} (n,n \rightarrow \pi^\star, \pi^\star) 6.01 _ _ false 1 1 A_1 2 1 B_{2g} (n \rightarrow \pi^\star) 6.05 _ _ false 1 1 A_1 2 1 B_{1g} (n \rightarrow \pi^\star) 6.92 _ _ false