srDFT_Ex/Data/data_formaldehyde/data_AVDZ_ST_0.000001

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2018-12-05 18:14:12 +01:00
# state LDA_HF LDA_PSI PBE_HF PBE_PSI
1 -0.1666529417 -0.1647191821 -0.1622631540 -0.1605206789
2 -0.1654554529 -0.1643112936 -0.1595681204 -0.1584213348