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QUESTDB_website/static/data/abs/hexatriene_ADC(2.5)_aug-cc-pVTZ.dat

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# Molecule : Hexatriene
# Comment :
# code :
# method : ADC(2.5),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# 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_g 1 1 B_u (\mathrm{V};\pi \rightarrow \pi^\star) 5.14 _ _ false
1 1 A_g 1 1 A_g (\mathrm{V};\pi \rightarrow \pi^\star) 5.60 _ _ true
1 1 A_g 1 1 A_u (\mathrm{R};\pi \rightarrow 3p) 5.66 _ _ false
1 1 A_g 1 1 B_g (\mathrm{R};\pi \rightarrow 3p) 5.81 _ _ false
1 1 A_g 2 1 B_u (\mathrm{V};\pi \rightarrow \pi^\star) 2.65 _ _ false
1 1 A_g 2 1 A_g (\mathrm{V};\pi \rightarrow \pi^\star) 4.26 _ _ false