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The RSE43 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) 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.

oTPSS oTPSS-D3
# Result Res. - Ref. Result Res. - Ref.
1 -17.66 -2.4560 -17.21 -2.0137
2 -5.19 -7.0927 -4.65 -6.5514
3 5.12 -1.6760 5.49 -1.3059
4 -3.77 -10.7701 -2.77 -9.7665
5 -1.94 -2.0368 -1.24 -1.3433
6 -0.55 -1.9474 0.10 -1.2969
7 -5.57 -2.3748 -5.06 -1.8621
8 -3.02 -1.7166 -2.56 -1.2641
9 -3.68 -1.8778 -3.24 -1.4449
10 -20.44 -2.9374 -20.12 -2.6179
11 -11.69 -1.6870 -11.35 -1.3460
12 -11.60 -2.9976 -11.39 -2.7891
13 -8.09 -1.7930 -7.69 -1.3852
14 -8.38 -2.0753 -7.96 -1.6591
15 -8.54 -1.9355 -8.09 -1.4868
16 -8.22 -1.8176 -7.78 -1.3819
17 -4.75 -1.7452 -4.23 -1.2339
18 -4.54 -0.6398 -4.40 -0.4995
19 -13.83 -1.8339 -13.55 -1.5488
20 4.00 -0.7036 4.34 -0.3630
21 -14.80 -2.1954 -14.36 -1.7552
22 -12.72 -1.6184 -12.41 -1.3117
23 -11.74 -3.1359 -11.33 -2.7331
24 -15.26 -2.4645 -14.60 -1.7951
25 -5.37 -2.0706 -4.86 -1.5614
26 -4.88 -0.9817 -4.45 -0.5539
27 -4.33 -1.6265 -4.01 -1.3067
28 -7.39 -1.4858 -6.95 -1.0507
29 -8.18 -1.9820 -7.58 -1.3841
30 -5.34 -1.1442 -5.17 -0.9674
31 -0.52 -1.2229 -0.33 -1.0337
32 -13.12 -2.3242 -12.84 -2.0354
33 -11.19 -2.7921 -10.82 -2.4234
34 1.26 -1.4406 1.54 -1.1634
35 -11.48 -2.0800 -11.27 -1.8675
36 -2.48 -2.4774 -1.87 -1.8704
37 -5.82 -2.9204 -5.29 -2.3903
38 -28.42 -5.9222 -27.93 -5.4345
39 -28.99 -4.8894 -28.30 -4.2000
40 -30.98 -5.5781 -30.26 -4.8602
41 -17.18 -4.0783 -16.97 -3.8735
42 -11.41 -5.0081 -10.12 -3.7157
43 -4.06 -1.7578 -3.32 -1.0157
MD -2.64 -2.17
MAD 2.64 2.17
RMSD 3.22 2.79