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QUESTDB_website/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat

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2020-04-30 15:20:39 +02:00
# Molecule : \ce{CF2}
# Comment :
# code :
# method : ADC(3),aug-cc-pVTZ
# geom :
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# DOI : 10.1021/acs.jctc.0c00227,true
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# 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 _ 4.86 _ _ false
1 1 A_1 1 3 B_1 _ 2.48 _ _ false