Data Set for Anisole-water and anisole-ammonia complexes in ground and excited (S1) states: a multiconfigurational SAPT study

Funding: National Science Center of Poland, grants no. 2019/35/B/ST4/01310 and no. 2021/43/D/ST4/02762 European Centre of Excellence in Exascale Computing TREX - Targeting Real Chemical Accuracy at the Exascale. European Union’s Horizon 2020 - Research and Innovation program - grant agreement no. 952165. COST Action CA21101 ‘Confined molecular systems: from a new generation of materials to the stars’ (COSY) supported by COST (European Cooperation in Science and Technology).