# Molecule : Dinitrogen # Comment : # code : # method : TBE # geom : # DOI : 10.1021/acs.jctc.8b00406 # Initial state Final state Transition Energies (eV) %T1 Oscilator forces ####################### ####################### ######################################## ################# ####### ################### # Number Spin Symm Number Spin Symm type E_abs Corr %T1 f 1 1 A_1 1 1 \Pi_g {\mathrm{V};n \rightarrow \pis} 9.34 9.33 92.6 _ 1 1 A_1 1 1 \Sigma_u^- {\mathrm{V};\pi \rightarrow \pis} 9.88 9.91 97.2 _ 1 1 A_1 1 1 \Delta_u {\mathrm{V};\pi \rightarrow \pis} 10.29 10.31 95.9 0.0 1 1 A_1 1 1 \Sigma_g^+ {\Ryd} 12.98 12.3 92.2 _ 1 1 A_1 1 1 \Pi_u {\Ryd} 13.03 12.73 82.9 0.229 1 1 A_1 1 1 \Sigma_u^+ {\Ryd} 13.09 12.95 92.8 0.296 1 1 A_1 2 1 \Pi_u {\Ryd} 13.46 13.27 87.4 0.0 1 1 A_1 1 3 \Sigma_u^+ {\mathrm{V};\pi \rightarrow \pis} 7.7 7.74 99.3 _ 1 1 A_1 1 3 \Pi_g {\mathrm{V};n \rightarrow \pis} 8.01 8.03 98.4 _ 1 1 A_1 1 3 \Delta_u {\mathrm{V};\pi \rightarrow \pis} 8.87 8.88 99.3 _ 1 1 A_1 1 3 \Sigma_u^- {\mathrm{V};\pi \rightarrow \pis} 9.66 9.65 98.8 _