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The W4-08 and W4-08woMR subsets - Results for oBLYP

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), root mean square (RMSD),
maximum (max) and minimum (min) deviations are shown.
MD*, MAD*, RMSD*, max* and min* are the statistical values for the W4-08woMR subset.
The results were published in: Goerigk, L.; Grimme, S. J. Chem. Theory Comput. 2010, 6, 107-126.

oBLYP oBLYP-D
# Result Res. - Ref. Result Res. - Ref.
1 603.47 -3.5467 606.46 -0.5607
2 414.24 3.2735 414.51 3.5365
3 474.01 3.0413 474.18 3.2093
4 707.93 -5.1497 709.39 -3.6947
5 354.78 11.0304 354.93 11.1834
6 524.20 22.1636 524.45 22.4136
7 490.15 7.8650 490.83 8.5530
8 481.81 7.1782 482.53 7.9002
9 584.90 2.6026 585.99 3.6936
10 267.50 8.7160 267.52 8.7390
11 244.11 19.2544 244.13 19.2724
12 311.17 14.6396 311.28 14.7536
13 449.52 11.2436 450.25 11.9656
14 166.59 31.8734 166.65 31.9284
15 195.37 42.9956 195.67 43.2976
16 425.89 -5.0788 426.66 -4.3118
17 521.58 -14.3117 524.13 -11.7587
18 288.26 -2.3244 288.30 -2.2774
19 270.14 9.5227 270.21 9.5887
20 357.70 10.7593 357.89 10.9533
21 346.66 10.9101 346.73 10.9801
22 287.93 7.1475 288.06 7.2845
23 216.91 8.1266 217.03 8.2496
24 172.64 4.2793 172.86 4.5043
25 239.87 5.5249 240.37 6.0179
26 223.64 -1.6339 224.05 -1.2189
27 180.54 3.1832 180.61 3.2512
28 293.61 -19.0426 294.86 -17.7926
29 295.00 9.5528 295.11 9.6618
30 147.90 19.7803 147.98 19.8573
31 152.05 25.6607 152.20 25.8087
32 110.73 9.2710 110.80 9.3390
33 108.05 -1.4376 108.05 -1.4366
34 109.79 2.5769 109.79 2.5779
35 141.47 -0.1664 141.47 -0.1654
36 233.32 0.3497 233.33 0.3617
37 85.21 0.9877 85.21 0.9887
38 190.78 0.0381 190.92 0.1811
39 307.93 0.0568 308.17 0.3038
40 418.13 -2.2935 418.43 -1.9945
41 268.40 2.2353 268.48 2.3183
42 407.36 1.8368 407.54 2.0218
43 302.21 4.1899 302.27 4.2509
44 136.01 -11.0068 136.01 -11.0058
45 234.72 6.2429 234.72 6.2439
46 263.46 3.7311 263.46 3.7321
47 192.26 10.9114 192.26 10.9124
48 167.38 14.6256 167.38 14.6266
49 137.40 16.5847 137.41 16.5857
50 68.60 15.5161 68.60 15.5171
51 50.32 11.2797 50.32 11.2817
52 242.46 0.1884 243.02 0.7494
53 87.89 0.1647 87.90 0.1657
54 181.25 -2.6619 181.36 -2.5469
55 104.92 -2.5777 104.92 -2.5767
56 136.77 10.3047 136.78 10.3057
57 76.34 10.8855 76.34 10.8865
58 68.72 5.9188 68.72 5.9208
59 121.87 4.2839 121.88 4.2879
60 109.37 5.1151 109.37 5.1181
61 59.91 0.1584 59.91 0.1634
62 6.71 4.0365 6.78 4.1105
63 68.64 1.1767 68.64 1.1797
64 82.64 -2.3467 82.64 -2.3457
65 280.86 -0.4297 281.42 0.1293
66 109.10 3.8623 109.10 3.8633
67 184.76 2.2381 184.76 2.2391
68 89.13 6.0325 89.13 6.0335
69 189.33 6.7426 189.35 6.7616
70 321.63 8.2103 321.71 8.2893
71 169.42 10.7667 169.44 10.7877
72 71.53 -2.0373 71.54 -2.0323
73 207.75 -5.4194 207.99 -5.1774
74 163.09 -0.6865 163.10 -0.6835
75 117.75 -4.8723 117.76 -4.8623
76 73.96 0.0413 73.96 0.0433
77 317.85 -7.1022 318.82 -6.1272
78 196.65 3.5968 196.65 3.5978
79 146.24 3.5296 146.24 3.5316
80 173.22 0.9956 173.22 0.9966
81 119.42 13.6007 119.42 13.6017
82 140.72 7.9951 140.72 7.9961
83 316.52 7.4242 316.78 7.6802
84 363.16 3.2279 363.31 3.3809
85 449.46 3.3755 449.80 3.7155
86 563.68 -0.4236 564.35 0.2484
87 446.75 7.3067 447.19 7.7457
88 289.27 9.8452 289.30 9.8812
89 380.12 5.4605 380.27 5.6105
90 403.62 13.4810 403.66 13.5160
91 218.90 13.0083 218.91 13.0223
92 257.71 29.8335 257.73 29.8545
93 299.47 28.6197 299.50 28.6517
94 173.33 25.9013 173.35 25.9193
95 190.32 14.7859 190.33 14.7999
96 278.15 9.0580 278.35 9.2640
97 117.13 23.3529 117.18 23.3959
98 170.57 4.3369 170.59 4.3609
99 167.23 2.1010 167.36 2.2350
MD 6.23 6.46
MAD 8.14 8.13
RMSD 11.39 11.39
max 43.00 43.30
min -19.04 -17.79
MD* 4.70 4.95
MAD* 6.71 6.67
RMSD* 9.09 9.06
max* 29.83 29.85
min* -19.04 -17.79