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QUESTDB_website/static/data/abs/formaldehyde_exp.dat

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# Molecule : Formaldehyde
# Comment :
# code :
# method : experimental
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# 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_2 (n \rightarrow \pi^\star) 4.07 _ _ false
1 1 A_1 1 1 B_2 (n \rightarrow 3s) 7.11 _ _ false
1 1 A_1 2 1 B_2 (n \rightarrow 3p) 7.97 _ _ false
1 1 A_1 2 1 A_1 (n \rightarrow 3p) 8.14 _ _ false
1 1 A_1 1 1 A_2 (n \rightarrow 3p) 8.37 _ _ false
1 1 A_1 1 3 A_2 (n \rightarrow \pi^\star) 3.50 _ _ false
1 1 A_1 1 3 A_1 (\pi \rightarrow \pi^\star) 5.86 _ _ false
1 1 A_1 1 3 B_2 (n \rightarrow 3s) 6.83 _ _ false
1 1 A_1 2 3 B_2 (n \rightarrow 3p) 7.79 _ _ false
1 1 A_1 2 3 A_1 (n \rightarrow 3p) 7.96 _ _ false