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The W4-08 subset - Results for BHLYP

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.

BHLYP BHLYP-D3
# Result Res. - Ref. Result Res. - Ref.
1 604.66 -2.3551 605.66 -1.3617
2 394.91 -16.0601 395.41 -15.5567
3 445.88 -25.0938 446.23 -24.7426
4 700.47 -12.6101 701.37 -11.7113
5 332.56 -11.1871 332.66 -11.0888
6 462.05 -39.9872 462.40 -39.6449
7 471.74 -10.5370 472.16 -10.1238
8 466.00 -8.6268 466.40 -8.2274
9 568.36 -13.9416 569.00 -13.2981
10 234.05 -24.7258 234.11 -24.6653
11 209.61 -15.2470 209.64 -15.2248
12 276.91 -19.6154 277.01 -19.5178
13 422.67 -15.6120 423.09 -15.1939
14 93.44 -41.2781 93.60 -41.1166
15 89.53 -62.8397 89.86 -62.5072
16 397.28 -33.6911 397.68 -33.2886
17 530.65 -5.2354 532.15 -3.7385
18 258.96 -31.6199 259.01 -31.5696
19 219.07 -41.5467 219.22 -41.4016
20 290.37 -56.5679 290.80 -56.1357
21 306.71 -29.0399 306.86 -28.8928
22 254.47 -26.3117 254.70 -26.0751
23 171.68 -37.1033 171.89 -36.8903
24 136.64 -31.7239 136.98 -31.3842
25 184.64 -49.7099 185.45 -48.9026
26 219.27 -6.0022 219.76 -5.5100
27 154.96 -22.3954 155.15 -22.2108
28 291.91 -20.7373 293.41 -19.2437
29 259.27 -26.1781 259.57 -25.8814
30 89.06 -39.0625 89.22 -38.9023
31 95.74 -30.6488 96.08 -30.3119
32 73.49 -27.9741 73.67 -27.7891
33 107.72 -1.7738 107.72 -1.7738
34 102.08 -5.1290 102.08 -5.1287
35 131.56 -10.0843 131.56 -10.0840
36 219.81 -13.1562 219.82 -13.1521
37 82.70 -1.5151 82.71 -1.5148
38 189.19 -1.5455 189.23 -1.5148
39 305.54 -2.3279 305.60 -2.2696
40 414.77 -5.6473 414.85 -5.5683
41 248.56 -17.6028 248.64 -17.5203
42 388.02 -17.5028 388.18 -17.3414
43 290.11 -7.9129 290.13 -7.8938
44 91.31 -55.7087 91.31 -55.7084
45 207.05 -21.4256 207.05 -21.4254
46 238.28 -21.4493 238.28 -21.4490
47 157.20 -24.1543 157.20 -24.1540
48 132.55 -20.2031 132.55 -20.2026
49 99.66 -21.1563 99.66 -21.1558
50 34.96 -18.1150 34.97 -18.1129
51 15.03 -24.0076 15.04 -24.0048
52 240.79 -1.4823 240.91 -1.3590
53 85.89 -1.8425 85.89 -1.8415
54 177.75 -6.1564 177.78 -6.1296
55 102.17 -5.3259 102.18 -5.3247
56 109.86 -16.6054 109.87 -16.6042
57 50.34 -15.1147 50.34 -15.1114
58 47.27 -15.5325 47.27 -15.5284
59 103.32 -14.2736 103.32 -14.2703
60 92.51 -11.7419 92.51 -11.7366
61 47.26 -12.4918 47.27 -12.4775
62 0.79 -1.8807 1.02 -1.6546
63 46.72 -20.7442 46.72 -20.7428
64 82.39 -2.5967 82.39 -2.5959
65 283.72 2.4304 283.84 2.5533
66 64.80 -40.4367 64.80 -40.4359
67 171.60 -10.9179 171.60 -10.9172
68 83.56 0.4598 83.56 0.4599
69 179.93 -2.6646 179.93 -2.6586
70 293.73 -19.6881 293.81 -19.6146
71 133.82 -24.8344 133.89 -24.7640
72 71.88 -1.6903 71.88 -1.6870
73 212.81 -0.3570 213.00 -0.1722
74 152.23 -11.5506 152.23 -11.5473
75 114.59 -8.0265 114.61 -8.0068
76 73.73 -0.1927 73.73 -0.1916
77 323.83 -1.1169 324.34 -0.6088
78 171.67 -21.3784 171.67 -21.3765
79 133.24 -9.4739 133.24 -9.4711
80 151.89 -20.3317 151.89 -20.3297
81 59.54 -46.2843 59.54 -46.2834
82 121.85 -10.8727 121.85 -10.8716
83 294.69 -14.4142 294.85 -14.2536
84 346.56 -13.3719 346.66 -13.2703
85 434.76 -11.3174 435.01 -11.0694
86 550.15 -13.9474 550.57 -13.5274
87 423.49 -15.9500 423.72 -15.7211
88 261.55 -17.8707 261.65 -17.7726
89 355.05 -19.6058 355.26 -19.4008
90 356.86 -33.2827 356.95 -33.1876
91 180.55 -25.3389 180.60 -25.2935
92 189.02 -38.8574 189.09 -38.7931
93 233.16 -37.6893 233.28 -37.5659
94 84.56 -62.8734 84.61 -62.8167
95 154.05 -21.4827 154.09 -21.4378
96 241.67 -27.4228 241.85 -27.2435
97 55.58 -38.2009 55.68 -38.0998
98 146.71 -19.5199 146.79 -19.4425
99 153.96 -11.1720 154.14 -10.9945
MD -19.20 -19.02
MAD 19.26 19.08
RMSD 24.10 23.95