Basis Set Effects in the Description of the Cl-O Bond in ClO and XClO/ClOX Isomers (X = H, O, and Cl) Using DFT and CCSD(T) Methods

Figure 8

Convergence of the values of the enthalpy of formation of HClO (in kcal/mol) for different reactions and models. The CCSD(T) and M06 results are shown in the upper two panels for each of the four reactions considered. The lower four panels show the convergence of all methods for each one of the four reactions.

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