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QUESTDB_website/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat

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2020-10-05 17:30:21 +02:00
# Molecule : Formylfluoride
# Comment :
# code :
# method : CCCSDT-3,aug-cc-pVTZ
# geom :
# set : QUEST#4,1
# 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
1 1 A^\prime 1 1 A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star) 6.00 _ _ false