1. Department of Chemistry and Biochemistry, Montclair State Univerity, Upper Montclair, NJ 07043
2. Department of Chemistry, University of California, Irvine, Irvine, CA 92697-2025
3. Department of Chemistry, University of California, Irvine, Irvine, CA 92697, and Wavefunction, Inc., Irvine CA 92612