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The ISOL22 subset - Results for TPSSh

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) and root mean square (RMSD) deviations are shown.
The results were published in: Goerigk, L.; Grimme, S. Phys. Chem. Chem. Phys. 2011, DOI: 10.1039/C0CP02984J.

TPSSh TPSSh-D3
# Result Res. - Ref. Result Res. - Ref.
1 23.37 -17.2199 30.93 -9.6593
2 8.28 -3.3978 7.95 -3.7270
3 27.31 -7.6317 28.57 -6.3700
4 24.23 -1.6570 24.04 -1.8457
5 9.23 -9.5562 13.09 -5.7016
6 44.79 26.4914 36.89 18.5884
7 16.14 -6.1667 18.03 -4.2756
8 2.69 -5.2227 3.26 -4.6543
9 33.05 -5.0775 33.74 -4.3914
10 0.39 -0.5736 0.39 -0.5674
11 28.89 -6.1945 29.18 -5.9009
12 3.47 -1.7342 4.17 -1.0341
13 -1.87 -5.7396 -0.75 -4.6200
14 23.11 0.5245 22.35 -0.2357
15 4.42 -6.6476 5.33 -5.7380
16 12.07 -14.0105 14.34 -11.7415
17 16.91 -0.1101 16.42 -0.6035
18 4.82 0.3036 3.83 -0.6893
19 2.35 -11.0341 4.10 -9.2835
20 -14.02 -14.5022 -8.97 -9.4534
21 16.08 -11.5310 17.46 -10.1467
22 11.84 -4.2139 13.30 -2.7472
MD -4.77 -3.85
MAD 7.25 5.54
RMSD 9.66 7.08