Rosas-Garcia, Victor M. Sáenz, Isabel CaF2(H2O)6 minima obtained at HF and MP2 levels CaF2(H2O)6 minima obtained at the HF/6-31* and MP2/6-311++G** levels of theory. Electronic energy and ZPE included in each file. calcium fluoride;hydration;ab initio;Computational Chemistry;Inorganic Chemistry 2019-02-13
    https://figshare.com/articles/dataset/CaF2_H2O_6_minima_obtained_at_HF_and_MP2_levels/7073225
10.6084/m9.figshare.7073225.v1