srDFT_SC/new/O2_avtz/data/data_DFT_avtz

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2020-01-06 12:25:11 +01:00
# FCI PBE PBEot
1.95 -150.06963414
2.10 -150.12303107
2.2816 -150.14208721
2.40 -150.13989970
2.60 -150.12002711
3.00 -150.06398251
4.00 -149.96272858
10.00 -149.95859616