CaF2(H2O)12 minima obtained at HF and MP2 levels
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CaF2(H2O)12 minima obtained at the HF/6-31* and MP2/6-311++G** levels of theory. Electronic energy and ZPE included in each file.
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2019-02-13
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CaF2(H2O)12 minima obtained at the HF/6-31* and MP2/6-311++G** levels of theory. Electronic energy and ZPE included in each file.