We introduce a dataset of 24 interaction energy curves of open-shell noncovalent dimers, referred to as the O24x5 dataset. The dataset consists of high-spin dimers up to eleven atoms selected to assure diversity with respect to interactions types: dispersion, electrostatics and induction. The benchmark interaction energies are obtained at the restricted open-shell CCSD(T) level of theory with complete basis set extrapolation aug-cc-pVQZ--> aug-cc-pV5Z.

中文翻译：

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24个小型高自旋开壳二聚体的非共价分子间相互作用能曲线的数据集

我们介绍了24个开壳非共价二聚体相互作用能曲线的数据集，称为O24x5数据集。该数据集由最多选择11个原子的高自旋二聚体组成，以确保在相互作用类型（分散，静电和感应）方面具有多样性。基准相互作用能在受限的开壳CCSD（T）理论水平上获得，具有完整的基集外推aug-cc-pVQZ-> aug-cc-pV5Z。