The paper by Simon, Duran, and Dannenberg discusses the impact of basis set superposition error (BSSE) on the potential surfaces of hydrogen-bonded dimers. They propose a method to automate the geometric optimization of molecular orbital calculations on potential surfaces corrected for BSSE using the counterpoise (CP) method. This method is applied to three hydrogen-bonding complexes: HF/HCN, HF/H2O, and HCCl/H2O, using different basis sets and computational levels. The results show that the interaction energies become more negative and the H-bonding stretching vibrations decrease upon optimization on the CP-corrected surface. The extent of these effects varies depending on the complex and the calculation method. The paper also highlights the importance of accurate optimization on the CP-corrected surface to avoid artifacts in vibrational force constants and zero-point energy corrections. The authors provide a detailed procedure for automating the CP correction in ab initio optimization calculations and demonstrate its application to the mentioned complexes, showing significant differences in energy and geometry compared to traditional methods.The paper by Simon, Duran, and Dannenberg discusses the impact of basis set superposition error (BSSE) on the potential surfaces of hydrogen-bonded dimers. They propose a method to automate the geometric optimization of molecular orbital calculations on potential surfaces corrected for BSSE using the counterpoise (CP) method. This method is applied to three hydrogen-bonding complexes: HF/HCN, HF/H2O, and HCCl/H2O, using different basis sets and computational levels. The results show that the interaction energies become more negative and the H-bonding stretching vibrations decrease upon optimization on the CP-corrected surface. The extent of these effects varies depending on the complex and the calculation method. The paper also highlights the importance of accurate optimization on the CP-corrected surface to avoid artifacts in vibrational force constants and zero-point energy corrections. The authors provide a detailed procedure for automating the CP correction in ab initio optimization calculations and demonstrate its application to the mentioned complexes, showing significant differences in energy and geometry compared to traditional methods.