The integration of d-integrals for semi-empirical methods and interface to the conducterlike polarizable continuum model (C-PCM), is implemented in a locally modified version of GAMESS using integral code donated by James Stewart. The PM6/PCM interface follows the implementation of Steinmann et al. except that we use the seminumerical gradient approach for the PCM gradient that is also used for the gas phase gradient. The DFTB calculations are done using the DFTB/PCM interface developed by Nishimoto in GAMESS and using version 3ob-3-1 of the 3OB DFTB parameter set . All SMD calculations were carried out with the GAMESS program, and COSMO calculations were done with MOPAC2016 .