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With 6-31G*(0.25) basis set, the size of the system requires about 300 functions for 27 atoms (142 electrons)
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On purely electrostatic grounds, a fully in-plane complex arrangement is possible with water hydrogens pointing toward the fluorine atoms on one side and water oxygen toward the benzene hydrogens on the other side. It is unlikely that his structure is stable, as the fully in-plane disposition of water and hexafluorobenzene is a transition state separating the topomers of 3 (ref 9a) and organic fluorine hardly ever accepts hydrogen bonds (ref 9c).
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