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The W4-08 subset - Results for PBEsol

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.

PBEsol PBEsol-D3
# Result Res. - Ref. Result Res. - Ref.
1 630.17 23.1476 630.63 23.6076
2 436.59 25.6172 436.81 25.8360
3 505.54 34.5711 505.69 34.7233
4 743.59 30.5050 744.01 30.9266
5 372.16 28.4057 372.20 28.4484
6 558.93 56.8856 559.09 57.0520
7 516.64 34.3596 516.83 34.5526
8 505.99 31.3629 506.17 31.5426
9 614.58 32.2841 614.88 32.5784
10 295.02 36.2384 295.04 36.2645
11 256.83 31.9668 256.84 31.9764
12 327.84 31.3102 327.89 31.3554
13 473.61 35.3306 473.80 35.5182
14 193.39 58.6723 193.46 58.7423
15 232.76 80.3880 232.91 80.5396
16 445.48 14.5051 445.67 14.6960
17 540.25 4.3625 540.97 5.0793
18 333.98 43.4001 334.00 43.4218
19 301.77 41.1493 301.83 41.2122
20 407.56 60.6197 407.75 60.8071
21 378.54 42.7854 378.60 42.8489
22 318.46 37.6790 318.56 37.7809
23 247.57 38.7857 247.66 38.8778
24 202.32 33.9588 202.47 34.1053
25 284.63 50.2788 284.98 50.6265
26 238.59 13.3205 238.81 13.5373
27 208.86 31.4968 208.94 31.5763
28 322.28 9.6284 322.94 10.2853
29 321.56 36.1093 321.69 36.2375
30 182.04 53.9160 182.11 53.9855
31 176.77 50.3776 176.91 50.5235
32 135.62 34.1602 135.70 34.2399
33 106.47 -3.0237 106.47 -3.0237
34 114.17 6.9558 114.17 6.9559
35 148.77 7.1287 148.77 7.1288
36 244.83 11.8621 244.83 11.8638
37 86.49 2.2736 86.49 2.2737
38 201.04 10.3010 201.05 10.3144
39 319.58 11.7099 319.61 11.7353
40 434.06 13.6350 434.09 13.6694
41 288.57 22.4137 288.61 22.4495
42 430.12 24.5955 430.19 24.6749
43 312.90 14.8763 312.90 14.8846
44 152.08 5.0592 152.08 5.0594
45 249.91 21.4340 249.91 21.4341
46 279.45 19.7179 279.45 19.7181
47 204.43 23.0828 204.43 23.0829
48 181.00 28.2485 181.00 28.2487
49 155.64 34.8241 155.64 34.8243
50 81.36 28.2792 81.36 28.2802
51 62.37 23.3279 62.37 23.3291
52 249.19 6.9161 249.24 6.9698
53 92.08 4.3547 92.09 4.3552
54 190.88 6.9728 190.89 6.9845
55 111.77 4.2722 111.77 4.2728
56 151.31 24.8371 151.31 24.8376
57 90.41 24.9552 90.41 24.9567
58 81.36 18.5554 81.36 18.5571
59 129.19 11.6019 129.19 11.6033
60 123.67 19.4243 123.68 19.4266
61 73.00 13.2494 73.01 13.2555
62 10.92 8.2472 11.01 8.3445
63 81.96 14.4966 81.96 14.4972
64 83.24 -1.7462 83.24 -1.7458
65 285.47 4.1774 285.52 4.2309
66 118.15 12.9062 118.15 12.9065
67 195.12 12.6004 195.12 12.6007
68 89.85 6.7490 89.85 6.7491
69 193.80 11.2107 193.80 11.2133
70 337.13 23.7137 337.17 23.7456
71 186.37 27.7241 186.40 27.7546
72 71.20 -2.3663 71.21 -2.3649
73 209.51 -3.6633 209.60 -3.5724
74 169.13 5.3487 169.13 5.3501
75 126.15 3.5343 126.16 3.5428
76 74.33 0.4092 74.33 0.4097
77 324.09 -0.8594 324.32 -0.6345
78 205.59 12.5398 205.59 12.5406
79 153.16 10.4464 153.16 10.4476
80 187.92 15.7017 187.92 15.7026
81 126.89 21.0674 126.89 21.0678
82 153.72 21.0029 153.72 21.0034
83 326.72 17.6250 326.80 17.6980
84 383.56 23.6309 383.60 23.6749
85 475.08 29.0033 475.20 29.1219
86 592.44 28.3365 592.64 28.5360
87 469.17 29.7284 469.27 29.8330
88 308.51 29.0875 308.55 29.1300
89 402.49 27.8321 402.58 27.9208
90 437.28 47.1370 437.32 47.1782
91 235.85 29.9553 235.86 29.9750
92 289.74 61.8616 289.77 61.8894
93 328.79 57.9352 328.84 57.9885
94 206.67 59.2414 206.70 59.2659
95 209.79 34.2587 209.81 34.2781
96 300.84 31.7482 300.92 31.8264
97 141.72 47.9389 141.76 47.9827
98 188.85 22.6212 188.88 22.6546
99 185.29 20.1620 185.37 20.2388
MD 24.35 24.43
MAD 24.59 24.66
RMSD 29.67 29.74