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33646416138
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The Ahlrichs (2d2fg, 3p2df) polarization functions were obtained from the TurboMole basis set library under ftp.chemi.uni-karlsruhe.de/pub/basen. Sc-Zn: 2p functions from Watchers30 plus one f-function from the TurboMole library.
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44
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33646405414
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The ORCA basis set CoreProp was used. This is based on the TurboMole DZ basis developed by Ahlrichs and co-workers and obtained from the basis set library under ftp.chemie.uni-karlsruhe.de/pub/basen.
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