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The IDISP subset - Results for mPWLYP

All results were obtained with the def2-QZVP basis set.
For each data point of the subset, the actual result in Eh and the
deviation from the reference value ("Res. - Ref."; in kcal/mol) are given.
At the end of the table, mean (MD), mean absolute (MAD), root mean square (RMSD),
maximum (max) and minimum (min) deviations are shown.
The results were published in: Goerigk, L.; Grimme, S. J. Chem. Theory Comput. 2010, 6, 107-126.

mPWLYP mPWLYP-D
# Result Res. - Ref. Result Res. - Ref.
1 32.28 41.2783 12.60 21.6033
2 -74.47 -15.9729 -61.23 -2.7259
3 8.47 10.3728 -0.90 1.0028
4 26.57 17.1670 8.12 -1.2830
5 -7.21 -5.0053 -2.29 -0.0873
6 -17.55 -21.1464 3.41 -0.1934
MD 4.45 3.05
MAD 18.49 4.48
RMSD 21.73 8.91
max 41.28 21.60
min -21.15 -2.73