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The W4-08 subset - Results for OPBE

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.

OPBE OPBE-D3
# Result Res. - Ref. Result Res. - Ref.
1 602.64 -4.3828 608.33 1.3127
2 406.18 -4.7900 408.26 -2.7120
3 465.37 -5.5975 467.24 -3.7320
4 713.80 0.7177 718.48 5.3972
5 347.61 3.8553 348.58 4.8273
6 509.93 7.8906 511.69 9.6529
7 485.82 3.5428 488.25 5.9697
8 477.27 2.6404 479.93 5.2984
9 581.47 -0.8299 585.03 2.7289
10 268.15 9.3736 268.64 9.8633
11 230.12 5.2583 230.36 5.4970
12 298.05 1.5191 298.59 2.0591
13 437.36 -0.9168 439.76 1.4755
14 161.66 26.9413 162.51 27.7885
15 186.42 34.0452 188.07 35.6968
16 412.31 -18.6601 413.40 -17.5674
17 519.00 -16.8938 523.75 -12.1430
18 307.05 16.4710 307.45 16.8720
19 270.34 9.7164 271.06 10.4406
20 364.66 17.7157 366.80 19.8617
21 351.40 15.6546 352.26 16.5074
22 296.25 15.4720 297.50 16.7164
23 221.76 12.9803 222.73 13.9475
24 181.91 13.5510 183.36 15.0037
25 252.24 17.8875 256.19 21.8431
26 223.54 -1.7297 224.81 -0.4575
27 191.23 13.8749 192.41 15.0468
28 303.34 -9.3134 307.21 -5.4368
29 294.03 8.5790 295.34 9.8865
30 154.40 26.2809 155.15 27.0288
31 148.76 22.3696 150.15 23.7586
32 109.98 8.5158 111.15 9.6946
33 106.97 -2.5163 106.97 -2.5161
34 106.83 -0.3832 106.83 -0.3803
35 142.02 0.3754 142.02 0.3781
36 231.82 -1.1535 231.87 -1.1024
37 82.38 -1.8426 82.38 -1.8393
38 196.06 5.3155 196.34 5.6030
39 309.31 1.4448 309.96 2.0885
40 419.82 -0.5970 420.77 0.3458
41 271.14 4.9790 271.74 5.5756
42 406.91 1.3907 407.94 2.4225
43 295.65 -2.3702 295.89 -2.1277
44 136.77 -10.2463 136.78 -10.2438
45 225.72 -2.7596 225.72 -2.7575
46 260.97 1.2370 260.97 1.2406
47 185.28 3.9286 185.28 3.9317
48 160.21 7.4619 160.22 7.4665
49 139.07 18.2535 139.08 18.2590
50 64.56 11.4804 64.58 11.5021
51 46.68 7.6386 46.71 7.6682
52 237.43 -4.8360 238.41 -3.8569
53 87.96 0.2284 87.97 0.2380
54 183.25 -0.6569 183.52 -0.3851
55 108.41 0.9087 108.42 0.9204
56 135.94 9.4743 135.96 9.4856
57 76.21 10.7620 76.24 10.7919
58 68.34 5.5386 68.38 5.5764
59 113.43 -4.1639 113.45 -4.1373
60 113.48 9.2322 113.53 9.2752
61 63.88 4.1261 63.99 4.2441
62 7.45 4.7801 9.09 6.4222
63 75.51 8.0526 75.53 8.0654
64 79.93 -5.0580 79.94 -5.0504
65 275.90 -5.3873 276.88 -4.4113
66 97.72 -7.5158 97.73 -7.5091
67 180.23 -2.2873 180.24 -2.2807
68 83.72 0.6159 83.72 0.6179
69 181.64 -0.9473 181.72 -0.8708
70 313.06 -0.3619 313.59 0.1734
71 164.34 5.6893 164.90 6.2534
72 68.23 -5.3366 68.26 -5.3087
73 203.32 -9.8545 203.88 -9.2946
74 154.77 -9.0145 154.79 -8.9895
75 117.73 -4.8928 117.86 -4.7611
76 71.10 -2.8225 71.11 -2.8118
77 313.13 -11.8190 315.01 -9.9367
78 185.70 -7.3492 185.72 -7.3339
79 138.74 -3.9718 138.76 -3.9484
80 175.06 2.8419 175.08 2.8594
81 110.67 4.8452 110.67 4.8543
82 139.75 7.0253 139.76 7.0358
83 301.10 -7.9972 301.55 -7.5493
84 361.91 1.9812 362.90 2.9712
85 452.46 6.3805 454.06 7.9790
86 566.00 1.8985 568.48 4.3809
87 440.83 1.3937 442.42 2.9833
88 287.78 8.3598 288.45 9.0250
89 379.14 4.4799 380.65 5.9913
90 405.39 15.2468 406.03 15.8864
91 211.27 5.3779 211.68 5.7921
92 255.10 27.2169 255.62 27.7423
93 291.92 21.0682 292.74 21.8881
94 171.42 23.9906 171.91 24.4761
95 186.73 11.2027 187.14 11.6145
96 272.67 3.5797 273.84 4.7462
97 110.63 16.8549 111.28 17.4972
98 170.12 3.8853 170.74 4.5145
99 172.19 7.0606 173.07 7.9369
MD 4.17 5.07
MAD 7.80 8.12
RMSD 10.50 10.88