1. Institute for Inorganic Chemistry, University of Erlangen-Nürnberg, Egerlandstrasse 1, 91058 Erlangen, Germany, Computer Chemistry Center, University of Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen, Germany, and Department of Organic Chemistry, Kiev Polytechnic Institute, pr. Pobedy 37, 03056 Kiev, Ukraine