1. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, MN, USA
2. Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, The University of Chicago, Chicago, IL, USA
3. Argonne National Laboratory, Lemont, IL, USA
4. Department of Chemistry and Biochemistry, Butler University, Indianapolis, IN, USA
5. Department of Chemistry–BMC, Uppsala University, Uppsala, Sweden