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QUESTDB_website/static/data/abs/formamide_exFCI_aug-cc-pVTZ.dat

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# Molecule : Formamide
# Comment :
# code : MRCC
# method : exFCI,aug-cc-pVTZ
# geom : CC3,aug-cc-pVTZ
# DOI : 10.1021/acs.jctc.8b00406
# Initial state Final state Energies (eV)
####################### ####################### ###############
# Number Spin Symm Number Spin Symm E_abs
1 1 A_1 1 1 A'' 5.7
1 1 A_1 2 1 A' 7.63
1 1 A_1 1 3 A'' 5.4
1 1 A_1 1 3 A' 5.7