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The W4-08 subset - Results for BP86

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.

BP86 BP86-D3
# Result Res. - Ref. Result Res. - Ref.
1 619.87 12.8513 621.22 14.2019
2 416.52 5.5460 417.17 6.2022
3 475.08 4.1117 475.53 4.5650
4 726.80 13.7155 728.11 15.0350
5 359.77 16.0230 359.90 16.1504
6 525.13 23.0940 525.62 23.5827
7 501.54 19.2579 502.14 19.8614
8 492.96 18.3326 493.52 18.8897
9 598.54 16.2433 599.47 17.1698
10 270.63 11.8481 270.71 11.9256
11 244.42 19.5567 244.45 19.5853
12 314.20 17.6677 314.35 17.8182
13 458.16 19.8827 458.76 20.4794
14 168.48 33.7605 168.69 33.9683
15 197.82 45.4534 198.30 45.9268
16 423.45 -7.5195 424.09 -6.8759
17 536.01 0.1169 538.02 2.1270
18 297.73 7.1498 297.79 7.2125
19 273.67 13.0458 273.85 13.2332
20 365.41 18.4686 365.97 19.0268
21 351.48 15.7277 351.66 15.9141
22 293.64 12.8569 293.93 13.1532
23 221.66 12.8843 221.94 13.1558
24 178.60 10.2430 179.03 10.6701
25 249.54 15.1899 250.55 16.2021
26 225.83 0.5571 226.49 1.2225
27 187.35 9.9946 187.59 10.2259
28 300.65 -11.9990 302.66 -9.9882
29 298.24 12.7914 298.62 13.1691
30 153.99 25.8651 154.19 26.0726
31 154.28 27.8859 154.71 28.3183
32 114.25 12.7859 114.48 13.0179
33 111.36 1.8677 111.36 1.8677
34 111.80 4.5895 111.80 4.5899
35 143.97 2.3265 143.97 2.3269
36 238.07 5.1005 238.08 5.1057
37 86.92 2.7045 86.92 2.7049
38 198.89 8.1458 198.93 8.1861
39 316.71 8.8388 316.79 8.9153
40 428.78 8.3638 428.89 8.4673
41 274.12 7.9610 274.23 8.0673
42 414.25 8.7273 414.46 8.9444
43 307.99 9.9714 308.02 9.9964
44 137.99 -9.0341 137.99 -9.0338
45 237.73 9.2486 237.73 9.2489
46 264.36 4.6328 264.36 4.6333
47 192.11 10.7600 192.11 10.7604
48 167.12 14.3664 167.12 14.3670
49 139.38 18.5552 139.38 18.5559
50 69.21 16.1345 69.22 16.1372
51 50.67 11.6314 50.68 11.6350
52 247.58 5.3059 247.74 5.4681
53 90.44 2.7086 90.44 2.7098
54 186.70 2.7950 186.74 2.8301
55 108.48 0.9845 108.49 0.9860
56 138.00 11.5292 138.00 11.5307
57 78.17 12.7225 78.18 12.7266
58 70.01 7.2138 70.02 7.2189
59 119.46 1.8722 119.47 1.8764
60 112.05 7.8030 112.06 7.8096
61 62.82 3.0688 62.84 3.0867
62 8.08 5.4139 8.37 5.6955
63 73.34 5.8779 73.34 5.8797
64 83.80 -1.1854 83.81 -1.1845
65 286.20 4.9111 286.36 5.0729
66 107.27 2.0282 107.27 2.0292
67 184.41 1.8887 184.41 1.8896
68 90.63 7.5348 90.64 7.5351
69 192.68 10.0947 192.69 10.1026
70 323.33 9.9109 323.43 10.0062
71 172.09 13.4432 172.18 13.5331
72 72.42 -1.1497 72.42 -1.1456
73 213.01 -0.1552 213.33 0.1646
74 161.13 -2.6498 161.13 -2.6457
75 118.95 -3.6734 118.97 -3.6491
76 75.14 1.2157 75.14 1.2171
77 325.56 0.6114 326.27 1.3214
78 194.46 1.4067 194.46 1.4090
79 144.78 2.0682 144.78 2.0717
80 175.17 2.9460 175.17 2.9486
81 119.23 13.4139 119.24 13.4151
82 142.16 9.4408 142.16 9.4422
83 312.80 3.7031 313.04 3.9416
84 369.57 9.6411 369.70 9.7720
85 460.43 14.3534 460.80 14.7158
86 576.37 12.2685 576.98 12.8783
87 454.38 14.9384 454.71 15.2660
88 293.19 13.7745 293.32 13.9003
89 386.45 11.7871 386.71 12.0503
90 407.79 17.6549 407.92 17.7769
91 220.88 14.9933 220.94 15.0514
92 260.86 32.9837 260.95 33.0659
93 301.13 30.2787 301.29 30.4362
94 176.93 29.5015 177.00 29.5741
95 193.87 18.3412 193.93 18.3986
96 283.64 14.5513 283.88 14.7889
97 118.56 24.7770 118.69 24.9070
98 174.87 8.6443 174.97 8.7423
99 172.82 7.6891 173.05 7.9163
MD 10.28 10.52
MAD 11.03 11.21
RMSD 13.83 14.01