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QUESTDB_website/static/data/fluo/thioformaldehyde_CC3_d-aug-cc-pVQZ.dat

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# Molecule : Thioformaldehyde
# Comment :
# code : Dalton
# method : CC3,d-aug-cc-pVQZ
# geom : CC3,aug-cc-pVTZ
# set : QUEST#1,0
# Initial state Final state Transition Energies (eV) %T1 Oscilator strenght unsafe
####################### ####################### ######################################## ############# ####### ################### ##############
# Number Spin Symm Number Spin Symm type E_fluo %T1 f is unsafe
1 1 A_1 2 1 A_2 (n \rightarrow \pi^\star) 1.97 _ _ false