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QUESTDB_website/static/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat

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# Molecule : Dinitrogen
# Comment :
# code : MRCC
# method : STEOM-CCSD,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406,true
# 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) 9.37 _ _ false
1 1 A_1 1 1 \Sigma_u^- (\mathrm{V};\pi \rightarrow \pi^\star) 10.09 _ _ false
1 1 A_1 1 1 \Delta_u (\mathrm{V};\pi \rightarrow \pi^\star) 10.56 _ _ false
1 1 A_1 1 1 \Sigma_g^+ (\mathrm{R}) 13.13 _ _ false
1 1 A_1 1 1 \Pi_u (\mathrm{R}) 13.43 _ _ false
1 1 A_1 1 1 \Sigma_u^+ (\mathrm{R}) 13.22 _ _ false
1 1 A_1 2 1 \Pi_u (\mathrm{R}) 13.73 _ _ false
1 1 A_1 1 3 \Sigma_u^+ (\mathrm{V};\pi \rightarrow \pi^\star) 7.70 _ _ false
1 1 A_1 1 3 \Pi_g (\mathrm{V};n \rightarrow \pi^\star) 8.16 _ _ false
1 1 A_1 1 3 \Delta_u (\mathrm{V};\pi \rightarrow \pi^\star) 8.94 _ _ false
1 1 A_1 1 3 \Sigma_u^- (\mathrm{V};\pi \rightarrow \pi^\star) 9.90 _ _ false