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QUESTDB_website/static/data/abs/thiopropynal_CCSDR(3)_aug-cc-pVTZ.dat

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# Molecule : Thiopropynal
# Comment :
# code : Dalton
# method : CCSDR(3),aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# set : QUEST#3,0
# Initial state Final state Transition Energies (eV) %T1 Oscilator strenght unsafe
####################### ####################### ######################################## ############# ####### ################### ##############
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
1 1 A^\prime 1 1 A^{\prime\prime} (\mathrm{V}; n \rightarrow \pi^\star) 2.07 _ _ false