srDFT_G2/Data/data_srDFT/data_VTZ/data_SO2_cc-pVTZ
2018-12-19 11:48:30 +01:00

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# thresh_dens thresh_WF LDA_PSI PBE_PSI
0.000001 0.0000001 -0.3786642743 -0.4342837686
0.000001 0.000001 -0.3787660756 -0.4349581590