srDFT_G2/Data/data_srDFT/data_VDZ/data_H2O2_cc-pVDZ_HF_PBE
2018-12-19 11:48:30 +01:00

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# thresh_dens thresh_WF PBE_HF
0.000001 0.0000001 -0.2043034224
0.000001 0.000001 -0.2047211485
0.000001 0.00001 -0.2051882698
0.000001 0.0001 -0.2080284345
0.000001 0.001 -0.2164004963