srDFT_SC/new/N2_avtz/data/data_DFT_avtz
2019-10-17 18:30:43 +02:00

14 lines
797 B
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# FCI PBE PBEot
1.60 -109.04436903 -0.0408799305 -0.0463356664 -0.0464345490
1.75 -109.25229745 -0.0377164634 -0.0434680841 -0.0435672814
1.90 -109.34985796 -0.0351626990 -0.0411273226 -0.0412285039
2.075 -109.38241351 -0.0328022529 -0.0389282686 -0.0390339618
2.25 -109.36733223 -0.0309487990 -0.0371619359 -0.0372748153
2.75 -109.24164328 -0.0272152437 -0.0333862810 -0.0335391094
3.50 -109.09354538 -0.0224977938 -0.0279058828 -0.0281730802
4.00 -109.05550914 -0.0206491531 -0.0255122539 -0.0258991544
5.00 -109.03816099 -0.0195798823 -0.0241058605 -0.0244608634
7.00 -109.03542786 -0.0195481774 -0.0239790224 -0.0243419762
10.00 -109.03465301 -0.0195664627 -0.0239936359 -0.0243572466