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QUESTDB_website/static/data/abs/isobutene_CC3_aug-cc-pVQZ.dat

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# Molecule : Isobutene
# Comment :
# code : CFOUR
# method : CC3,aug-cc-pVQZ
# geom : CC3,aug-cc-pVTZ
# set : QUEST#3,0
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe
####################### ####################### ######################################## ############# ####### ##################### #############
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
1 1 A_1 1 1 B_1 (\pi \rightarrow 3s) 6.47 _ _ false
1 1 A_1 2 1 A_1 (\pi \rightarrow 3p) 6.99 _ _ false
1 1 A_1 1 3 A_1 (\pi \rightarrow \pi^\star) 4.54 _ _ false