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The RSE43 subset - Results for B1B95

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.

B1B95 B1B95-D3
# Result Res. - Ref. Result Res. - Ref.
1 -17.36 -2.1568 -17.08 -1.8760
2 -3.23 -5.1273 -2.76 -4.6557
3 4.52 -2.2847 4.86 -1.9378
4 -3.03 -10.0304 -2.05 -9.0455
5 -1.26 -1.3637 -0.70 -0.8041
6 0.17 -1.2279 0.68 -0.7211
7 -4.94 -1.7440 -4.44 -1.2369
8 -2.60 -1.2952 -2.20 -0.9013
9 -3.43 -1.6347 -3.07 -1.2682
10 -19.94 -2.4421 -19.70 -2.2020
11 -12.21 -2.2133 -11.96 -1.9565
12 -11.00 -2.3966 -10.85 -2.2461
13 -7.96 -1.6613 -7.69 -1.3901
14 -8.10 -1.7980 -7.82 -1.5241
15 -8.32 -1.7189 -7.98 -1.3847
16 -8.15 -1.7488 -7.83 -1.4325
17 -4.46 -1.4600 -3.98 -0.9817
18 -5.55 -1.6455 -5.40 -1.4999
19 -15.08 -3.0834 -14.82 -2.8209
20 3.63 -1.0679 3.96 -0.7435
21 -15.98 -3.3805 -15.59 -2.9920
22 -13.90 -2.7996 -13.69 -2.5871
23 -12.17 -3.5685 -11.82 -3.2187
24 -16.36 -3.5554 -15.77 -2.9664
25 -5.35 -2.0520 -4.96 -1.6619
26 -5.87 -1.9682 -5.48 -1.5815
27 -4.92 -2.2155 -4.58 -1.8835
28 -8.32 -2.4205 -7.91 -2.0108
29 -8.96 -2.7589 -8.45 -2.2517
30 -6.18 -1.9767 -5.99 -1.7898
31 -0.27 -0.9748 -0.20 -0.9002
32 -13.79 -2.9925 -13.58 -2.7820
33 -11.34 -2.9362 -11.12 -2.7188
34 1.16 -1.5366 1.39 -1.3124
35 -12.17 -2.7700 -11.99 -2.5942
36 -1.77 -1.7745 -1.35 -1.3468
37 -5.61 -2.7139 -5.18 -2.2807
38 -28.66 -6.1608 -28.24 -5.7402
39 -29.99 -5.8935 -29.46 -5.3647
40 -31.88 -6.4802 -31.30 -5.9036
41 -16.23 -3.1264 -16.06 -2.9649
42 -10.70 -4.2962 -9.43 -3.0295
43 -3.74 -1.4359 -3.09 -0.7901
MD -2.74 -2.36
MAD 2.74 2.36
RMSD 3.24 2.86