srDFT_SC/new/O2_avtz/data/data_DFT_avtz

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2019-11-20 15:52:45 +01:00
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1.95 -150.07019460 -0.0514036781 -0.0580919429 -0.0581323214
2.10 -150.12342824 -0.0498191601 -0.0566199123 -0.0566634475
2.2816 -150.14178444 -0.0483549667 -0.0552424714 -0.0552906635
2.40 -150.13899522 -0.0476012736 -0.0545246645 -0.0545764508
2.60 -150.11950071 -0.0465873654 -0.0535431346 -0.0536019959
3.00 -150.06324132 -0.0451765580 -0.0521176567 -0.0521957399
4.00 -149.88767371 -0.0435573953 -0.0499577563 -0.0501613581
5.00 -149.88756789 -0.0432114786 -0.0495348356 -0.0497456437
2019-12-16 20:04:02 +01:00
10.0 -149.95830994