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

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# Molecule : Difluorodiazirine
# Comment :
# code :
# method : STEOM-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 1 A_1 1 1 B_1 _ 3.56 _ _ false
1 1 A_1 1 3 B_1 _ 2.91 _ _ false
1 1 A_1 2 3 B_1 _ 5.59 _ _ false