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QUESTDB_website/static/data/fluo/formaldehyde_CC3_aug-cc-pVTZ.dat

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# Molecule : Formaldehyde
# Comment : Fluores cence energies of the formaldehyde molecule
# code : Dalton
# method : CC3,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Energies (eV)
####################### ####################### ###############
# Number Spin Symm Number Spin Symm E_fluo
1 1 A_1 1 1 A'' 2.84