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QUESTDB_website/static/data/abs/hcf_CC3_aug-cc-pVDZ.dat

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2020-04-30 15:20:39 +02:00
# Molecule : \ce{HCF}
# Comment :
# code :
# method : CC3,aug-cc-pVDZ
# geom :
2020-05-13 16:25:11 +02:00
# DOI : 10.1021/acs.jctc.0c00227
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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 A^{\prime\prime} _ 2.53 _ _ false