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The RSE43 subset - Results for rPW86PBE

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.

rPW86PBE rPW86PBE-D3
# Result Res. - Ref. Result Res. - Ref.
1 -17.89 -2.6866 -17.61 -2.4134
2 -5.05 -6.9530 -4.75 -6.6454
3 4.85 -1.9470 5.06 -1.7370
4 -4.53 -11.5317 -3.96 -10.9649
5 -2.19 -2.2868 -1.80 -1.8993
6 -0.77 -2.1746 -0.42 -1.8235
7 -6.30 -3.0987 -6.01 -2.8118
8 -3.46 -2.1611 -3.23 -1.9264
9 -3.59 -1.7865 -3.34 -1.5362
10 -20.24 -2.7406 -20.05 -2.5521
11 -12.54 -2.5386 -12.34 -2.3378
12 -11.90 -3.3017 -11.79 -3.1866
13 -8.60 -2.3003 -8.36 -2.0577
14 -8.91 -2.6130 -8.66 -2.3644
15 -9.09 -2.4858 -8.81 -2.2133
16 -8.80 -2.4025 -8.54 -2.1396
17 -4.84 -1.8395 -4.54 -1.5366
18 -5.18 -1.2804 -5.10 -1.1994
19 -14.79 -2.7924 -14.64 -2.6379
20 3.65 -1.0493 3.84 -0.8557
21 -15.81 -3.2147 -15.56 -2.9586
22 -14.30 -3.2015 -14.12 -3.0159
23 -12.97 -4.3650 -12.74 -4.1370
24 -16.28 -3.4786 -15.89 -3.0863
25 -5.99 -2.6937 -5.71 -2.4099
26 -5.59 -1.6876 -5.31 -1.4141
27 -4.84 -2.1369 -4.64 -1.9411
28 -8.27 -2.3746 -8.02 -2.1250
29 -9.17 -2.9748 -8.83 -2.6261
30 -5.81 -1.6106 -5.71 -1.5062
31 -0.43 -1.1328 -0.32 -1.0220
32 -13.71 -2.9119 -13.53 -2.7328
33 -11.73 -3.3270 -11.52 -3.1174
34 1.23 -1.4736 1.38 -1.3200
35 -12.00 -2.6023 -11.88 -2.4838
36 -2.72 -2.7200 -2.37 -2.3729
37 -5.84 -2.9352 -5.53 -2.6253
38 -29.28 -6.7822 -29.02 -6.5179
39 -30.24 -6.1436 -29.85 -5.7462
40 -32.10 -6.6957 -31.68 -6.2813
41 -17.18 -4.0798 -17.07 -3.9650
42 -11.08 -4.6850 -10.36 -3.9641
43 -4.08 -1.7813 -3.63 -1.3253
MD -3.14 -2.87
MAD 3.14 2.87
RMSD 3.68 3.42