srDFT_Ex/Data/data_formaldehyde/data_AVDZ_Fl

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2018-12-05 18:14:12 +01:00
# state LDA_HF LDA_PSI PBE_HF PBE_PSI
1 -0.1653931736 -0.1635186501 -0.1596029474 -0.1578735470
2 -0.1646550689 -0.1635600639 -0.1579530112 -0.1569116160