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QUESTDB_website/static/data/abs/carbon_monoxyde_CC2_aug-cc-pVTZ.dat

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# Molecule : Carbon monoxyde
# Comment :
# code :
# method : CC2,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# 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 (\mathrm{V};n \rightarrow \pi^\star) 8.64 _ _ false
1 1 A_1 1 1 \Sigma^- (\mathrm{V};\pi \rightarrow \pi^\star) 10.30 _ _ false
1 1 A_1 1 1 \Delta (\mathrm{V};\pi \rightarrow \pi^\star) 10.60 _ _ false
1 1 A_1 1 1 \Sigma^+ (\mathrm{R}) 11.11 _ _ false
1 1 A_1 2 1 \Sigma^+ (\mathrm{R}) 11.63 _ _ false
1 1 A_1 1 1 \Pi (\mathrm{R}) 11.83 _ _ false
1 1 A_1 1 3 \Pi (\mathrm{V};n \rightarrow \pi^\star) 6.42 _ _ false
1 1 A_1 1 3 \Sigma^+ (\mathrm{V};\pi \rightarrow \pi^\star) 8.72 _ _ false
1 1 A_1 1 3 \Delta (\mathrm{V};\pi \rightarrow \pi^\star) 9.56 _ _ false
1 1 A_1 1 3 \Sigma^- (\mathrm{V};\pi \rightarrow \pi^\star) 10.27 _ _ false
1 1 A_1 1 3 \Sigma^+ (\mathrm{R}) 10.60 _ _ false