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QUESTDB_website/static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat

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# Molecule : \ce{HCP}
# Comment :
# code :
# method : CC3(SC),aug-cc-pVQZ
# 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
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1 1 \Sigma^+ 1 1 \Sigma^- _ 4.83 _ _ false
1 1 \Sigma^+ 1 1 \Delta _ 5.11 _ _ false
1 1 \Sigma^+ 1 3 \Sigma^+ _ 3.46 _ _ false
1 1 \Sigma^+ 1 3 \Delta _ 4.21 _ _ false