1. Department of Chemistry and Biochemistry and Department of Physics, University of California, Santa Barbara, Santa Barbara, California 93106, United States
2. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States
3. Molecular Sciences Software Institute, Blacksburg, Virginia 24060, United States
4. Mulliken Center for Theoretical Chemistry, Clausius Institute of Physical and Theoretical Chemistry, University of Bonn, D-53115 Bonn, Germany
5. Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States
6. American Chemical Society, 1155 Sixteenth Street N.W., Washington, DC 20036, United States