srDFT_SC/new/N2_avtz/data/data_DFT_avtzE_tot

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2019-10-01 19:13:31 +02:00
1.6 -109.04436903 -109.085249021 -109.090704759 -109.1967
1.75 -109.25229745 -109.290013976 -109.295765585 -109.4116
1.9 -109.34985796 -109.385020633 -109.39098526 -109.506
2.075 -109.38241351 -109.415215793 -109.421341803 -109.534
2.25 -109.36733223 -109.39828104 -109.404494183 -109.5156
2.75 -109.24164328 -109.268858623 -109.275029661 -109.3875
3.5 -109.09354538 -109.116043178 -109.121451267 -109.2457
4.0 -109.05550914 -109.076158298 -109.081021404 -109.2051
5.0 -109.03816099 -109.057740886 -109.062266867 -109.1781
7.0 -109.03542786 -109.054976043 -109.059406887 -109.1704
10.0 -109.03465301 -109.054219473 -109.058646642 -109.1698