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QUESTDB_website/static/data/abs/formaldehyde_CC3_aug-cc-pVDZ_double.dat

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# Molecule : Formaldehyde
# Comment :
# code :
# method : CC3,aug-cc-pVDZ
# geom :
# DOI : 10.1021/acs.jctc.8b01205
# 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 3 1 A_1 (n,n \rightarrow \pi^\star,\pi^\star) 11.22 4 _ false