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The IDISP subset - Results for oTPSS

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.

oTPSS oTPSS-D
# Result Res. - Ref. Result Res. - Ref.
1 24.24 33.2445 4.66 13.6565
2 -75.64 -17.1380 -62.25 -3.7460
3 7.37 9.2703 -1.06 0.8423
4 23.98 14.5774 7.66 -1.7366
5 -7.55 -5.3509 -2.66 -0.4569
6 -20.35 -23.9496 1.47 -2.1286
MD 1.78 1.07
MAD 17.26 3.76
RMSD 19.58 5.90
max 33.24 13.66
min -23.95 -3.75