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QUESTDB_website/static/data/abs/carbon_trimer_PC-NEVPT2_aug-cc-pVDZ_double.dat

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# Molecule : Carbon trimer
# Comment :
# code :
# method : PC-NEVPT2,aug-cc-pVDZ
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# geom : CC3,aug-cc-pVTZ
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# set : QUEST#2,0
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# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe
####################### ####################### ######################################## ############# ####### ##################### #############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 \Sigma_g^+ 1 1 \Delta_g (\pi,\pi \rightarrow \sigma,\sigma) 5.24 _ _ false
1 1 \Sigma_g^+ 2 1 \Sigma_g^+ (\pi,\pi \rightarrow \sigma,\sigma) 5.97 _ _ false