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. Author manuscript; available in PMC: 2012 Dec 7.
Published in final edited form as: Angew Chem Int Ed Engl. 2008;47(27):5038–5042. doi: 10.1002/anie.200801426

Figure 4.

Figure 4

Optimized geometries for Cl complexes with pyrrole, benzene, and methane. Distances are given below each structure at the MP2/aug-cc-pVDZ and B3LYP/DZVP2 (in parentheses) levels of theory. Cartesian coordinates and absolute energies for all optimizations are included in the Supporting Information.