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Comparison of the relative root-mean-square (RRMS) errors for multipole fitting to QM ESPs for three models: RESP, pGM-ind, and pGM-perm. For small set (a), QM ESPs are calculated at the CCSD/aug-cc-pV5Z (a5z) level, while for LARGE set (b), QM ESPs are calculated at the MP2/aug-cc-pV5Z (a5z) level. The star signs indicate the outliers, and their chemical structures are shown by the insets.
