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

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.

oPWLYP oPWLYP-D
# Result Res. - Ref. Result Res. - Ref.
1 603.74 -3.2841 606.72 -0.2981
2 414.19 3.2203 414.45 3.4833
3 473.85 2.8841 474.02 3.0521
4 708.08 -5.0005 709.53 -3.5455
5 354.77 11.0154 354.92 11.1684
6 523.88 21.8372 524.13 22.0872
7 490.20 7.9195 490.89 8.6075
8 481.89 7.2645 482.62 7.9865
9 585.00 2.6983 586.09 3.7893
10 267.41 8.6257 267.43 8.6487
11 244.01 19.1497 244.03 19.1677
12 311.10 14.5704 311.21 14.6844
13 449.56 11.2826 450.28 12.0046
14 166.43 31.7083 166.48 31.7633
15 195.19 42.8216 195.49 43.1236
16 425.76 -5.2092 426.53 -4.4422
17 522.11 -13.7834 524.66 -11.2304
18 288.57 -2.0127 288.61 -1.9657
19 269.99 9.3701 270.06 9.4361
20 357.39 10.4528 357.59 10.6468
21 346.51 10.7566 346.58 10.8266
22 287.91 7.1277 288.04 7.2647
23 216.87 8.0855 216.99 8.2085
24 172.72 4.3593 172.94 4.5843
25 240.02 5.6673 240.51 6.1603
26 223.60 -1.6659 224.02 -1.2509
27 180.51 3.1513 180.58 3.2193
28 293.65 -18.9963 294.90 -17.7463
29 294.81 9.3628 294.92 9.4718
30 147.69 19.5706 147.77 19.6476
31 151.95 25.5580 152.10 25.7060
32 110.70 9.2433 110.77 9.3113
33 108.16 -1.3292 108.16 -1.3282
34 109.79 2.5811 109.79 2.5821
35 141.47 -0.1691 141.47 -0.1681
36 233.33 0.3590 233.34 0.3710
37 85.25 1.0305 85.25 1.0315
38 190.79 0.0503 190.93 0.1933
39 308.00 0.1327 308.25 0.3797
40 418.25 -2.1691 418.55 -1.8701
41 268.31 2.1525 268.40 2.2355
42 407.32 1.8030 407.51 1.9880
43 302.27 4.2511 302.33 4.3121
44 135.94 -11.0838 135.94 -11.0828
45 234.56 6.0836 234.56 6.0846
46 263.34 3.6051 263.34 3.6061
47 192.13 10.7832 192.13 10.7842
48 167.21 14.4606 167.21 14.4616
49 137.28 16.4616 137.28 16.4626
50 68.54 15.4625 68.54 15.4635
51 50.27 11.2334 50.28 11.2354
52 242.77 0.5002 243.33 1.0612
53 87.97 0.2435 87.97 0.2445
54 181.38 -2.5260 181.50 -2.4110
55 104.96 -2.5387 104.96 -2.5377
56 136.73 10.2614 136.73 10.2624
57 76.28 10.8328 76.28 10.8338
58 68.69 5.8929 68.69 5.8949
59 122.17 4.5803 122.17 4.5843
60 109.41 5.1604 109.41 5.1634
61 59.94 0.1917 59.95 0.1967
62 6.69 4.0221 6.77 4.0961
63 68.58 1.1204 68.58 1.1234
64 82.71 -2.2817 82.71 -2.2807
65 280.99 -0.2954 281.55 0.2636
66 109.07 3.8287 109.07 3.8297
67 184.73 2.2140 184.73 2.2150
68 89.16 6.0619 89.16 6.0629
69 189.38 6.7914 189.40 6.8104
70 321.52 8.1043 321.60 8.1833
71 169.38 10.7273 169.40 10.7483
72 71.66 -1.9112 71.66 -1.9062
73 207.98 -5.1942 208.22 -4.9522
74 163.11 -0.6719 163.11 -0.6689
75 117.82 -4.7966 117.83 -4.7866
76 74.09 0.1684 74.09 0.1704
77 318.17 -6.7766 319.15 -5.8016
78 196.70 3.6511 196.70 3.6521
79 146.27 3.5629 146.27 3.5649
80 173.22 1.0004 173.22 1.0014
81 119.34 13.5195 119.34 13.5205
82 140.68 7.9625 140.68 7.9635
83 316.38 7.2777 316.63 7.5337
84 363.17 3.2428 363.33 3.3958
85 449.48 3.3983 449.82 3.7383
86 563.74 -0.3630 564.41 0.3090
87 446.74 7.3034 447.18 7.7424
88 289.18 9.7618 289.22 9.7978
89 380.06 5.4009 380.21 5.5509
90 403.32 13.1781 403.35 13.2131
91 218.78 12.8864 218.79 12.9004
92 257.41 29.5296 257.43 29.5506
93 299.11 28.2613 299.14 28.2933
94 173.11 25.6785 173.13 25.6965
95 190.25 14.7216 190.27 14.7356
96 278.11 9.0243 278.32 9.2303
97 117.04 23.2615 117.08 23.3045
98 170.55 4.3238 170.58 4.3478
99 167.34 2.2105 167.47 2.3445
MD 6.22 6.45
MAD 8.08 8.07
RMSD 11.30 11.30
max 42.82 43.12
min -19.00 -17.75
MD* 4.70 4.95
MAD* 6.65 6.61
RMSD* 9.00 8.97
max* 29.53 29.55
min* -19.00 -17.75