srDFT_Ex/Data/data_formaldehyde/data_AVTZ_Fl

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2018-12-05 18:14:12 +01:00
# state LDA_HF LDA_PSI PBE_HF PBE_PSI
1 -0.0960228615 -0.0942520478 -0.0992274737 -0.0977258903
2 -0.0956347973 -0.0941996941 -0.0985689397 -0.0973773697