1. Department of Chemistry, Western Michigan University, Kalamazoo, Michigan 49008, Department of Chemistry, State Key Laboratory for Physical Chemistry of Solid Surfaces and Center for Theoretical Chemistry, Xiamen University, Xiamen, Fujian 361005, People's Republic of China, Department of Chemistry, University of Georgia, Athens, Georgia 30602, and Department of Chemistry and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455