# Molecule : Dinitrogen # Comment : # code : # method : TBE-corr # geom : # DOI : 10.1021/acs.jctc.8b00406 # 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 \Pi_g {\mathrm{V};n \rightarrow \pi^\star} 9.33 92.6 _ false 1 1 A_1 1 1 \Sigma_u^- {\mathrm{V};\pi \rightarrow \pi^\star} 9.33 97.2 _ false 1 1 A_1 1 1 \Delta_u {\mathrm{V};\pi \rightarrow \pi^\star} 9.33 95.9 0.0 false 1 1 A_1 1 1 \Sigma_g^+ {\mathrm{R}} 9.33 92.2 _ false 1 1 A_1 1 1 \Pi_u {\mathrm{R}} 9.33 82.9 0.229 false 1 1 A_1 1 1 \Sigma_u^+ {\mathrm{R}} 9.33 92.8 0.296 false 1 1 A_1 2 1 \Pi_u {\mathrm{R}} 9.33 87.4 0.0 false 1 1 A_1 1 3 \Sigma_u^+ {\mathrm{V};\pi \rightarrow \pi^\star} 9.33 99.3 _ false 1 1 A_1 1 3 \Pi_g {\mathrm{V};n \rightarrow \pi^\star} 9.33 98.4 _ false 1 1 A_1 1 3 \Delta_u {\mathrm{V};\pi \rightarrow \pi^\star} 9.33 99.3 _ false 1 1 A_1 1 3 \Sigma_u^- {\mathrm{V};\pi \rightarrow \pi^\star} 9.33 98.8 _ false