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QUESTDB_website/static/data/abs/vinyl_U-CCSD_aug-cc-pVTZ.dat

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# Molecule : Vinyl
# Comment :
# code :
# method : U-CCSD,aug-cc-pVTZ
# geom :
# DOI : 10.1021/acs.jctc.0c00227,true
# 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 2 A^{\prime\prime} 2 2 A^{\prime\prime} _ 3.51 _ _ false
1 2 A^{\prime\prime} 3 2 A^{\prime\prime} _ 4.91 _ _ false
1 2 A^{\prime\prime} 1 2 A^\prime _ 6.38 _ _ false