Investigation of the CH3CN−CO2 Potential Energy Surface Using Symmetry-Adapted Perturbation Theory

Symmetry-adapted perturbation theory (SAPT) has been used to investigate the intermolecular potential energy surface of CH 3 CN−CO 2 . A SAPT computation was performed for approximately 200 geometrical configurations using both a coarse grid in the five intermolecular coordinates and selected representative cuts. Four near-local minima are located on the potential energy surface. The deepest of these is −2.90 kcal/mol.