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The W4-08 subset - Results for B2PLYP

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. J. Chem. Theory Comput. 2011, 7, 291-309.

B2PLYP B2PLYP-D3
# Result Res. - Ref. Result Res. - Ref.
1 608.88 1.8553 609.57 2.5458
2 411.83 0.8560 412.18 1.2108
3 470.31 -0.6551 470.56 -0.4075
4 711.65 -1.4268 712.27 -0.8057
5 346.04 2.2934 346.11 2.3627
6 509.02 6.9773 509.25 7.2115
7 484.85 2.5714 485.14 2.8573
8 476.71 2.0800 476.99 2.3591
9 582.71 0.4141 583.16 0.8618
10 257.31 -1.4698 257.35 -1.4271
11 229.44 4.5823 229.46 4.5979
12 298.44 1.9130 298.51 1.9807
13 440.41 2.1285 440.70 2.4208
14 126.93 -7.7904 127.04 -7.6765
15 150.72 -1.6476 150.95 -1.4161
16 423.87 -7.1022 424.14 -6.8250
17 530.18 -5.7063 531.22 -4.6691
18 287.30 -3.2797 287.34 -3.2442
19 258.05 -2.5654 258.16 -2.4631
20 342.15 -4.7897 342.45 -4.4850
21 337.89 2.1439 338.00 2.2477
22 282.04 1.2644 282.21 1.4316
23 205.98 -2.7987 206.13 -2.6484
24 164.50 -3.8604 164.74 -3.6205
25 230.05 -4.3007 230.62 -3.7306
26 225.93 0.6558 226.27 1.0016
27 174.07 -3.2931 174.20 -3.1628
28 304.30 -8.3499 305.35 -7.3006
29 287.22 1.7728 287.43 1.9822
30 128.69 0.5666 128.80 0.6795
31 123.07 -3.3218 123.31 -3.0843
32 98.24 -3.2239 98.37 -3.0932
33 107.92 -1.5739 107.92 -1.5739
34 106.96 -0.2526 106.96 -0.2524
35 139.82 -1.8156 139.82 -1.8154
36 230.98 -1.9852 230.99 -1.9824
37 83.89 -0.3289 83.89 -0.3287
38 191.11 0.3694 191.13 0.3910
39 308.55 0.6807 308.59 0.7219
40 419.92 -0.5036 419.97 -0.4478
41 264.65 -1.5147 264.70 -1.4565
42 405.97 0.4520 406.08 0.5623
43 298.82 0.8009 298.83 0.8144
44 135.52 -11.5021 135.52 -11.5019
45 231.16 2.6789 231.16 2.6791
46 259.06 -0.6712 259.06 -0.6710
47 181.67 0.3244 181.67 0.3246
48 155.27 2.5169 155.27 2.5173
49 123.42 2.5971 123.42 2.5974
50 52.84 -0.2433 52.84 -0.2418
51 36.05 -2.9862 36.06 -2.9842
52 241.58 -0.6864 241.67 -0.5996
53 87.19 -0.5378 87.19 -0.5371
54 181.53 -2.3769 181.55 -2.3580
55 105.64 -1.8556 105.65 -1.8547
56 127.68 1.2072 127.68 1.2080
57 64.53 -0.9194 64.53 -0.9171
58 60.92 -1.8848 60.92 -1.8820
59 117.40 -0.1886 117.40 -0.1862
60 103.85 -0.4030 103.85 -0.3992
61 56.27 -3.4751 56.29 -3.4650
62 2.48 -0.1867 2.64 -0.0270
63 62.32 -5.1383 62.32 -5.1373
64 83.36 -1.6322 83.36 -1.6316
65 283.64 2.3534 283.73 2.4399
66 103.89 -1.3481 103.89 -1.3476
67 182.16 -0.3608 182.16 -0.3603
68 85.20 2.0974 85.20 2.0975
69 184.63 2.0389 184.63 2.0431
70 315.57 2.1526 315.62 2.2044
71 156.25 -2.4006 156.30 -2.3509
72 72.26 -1.3123 72.26 -1.3100
73 211.50 -1.6673 211.63 -1.5413
74 161.82 -1.9643 161.82 -1.9620
75 119.94 -2.6778 119.96 -2.6639
76 73.51 -0.4080 73.51 -0.4072
77 322.56 -2.3937 322.91 -2.0373
78 192.28 -0.7682 192.28 -0.7669
79 142.43 -0.2785 142.43 -0.2765
80 170.12 -2.0958 170.13 -2.0944
81 74.32 -31.5040 74.32 -31.5033
82 133.71 0.9936 133.71 0.9943
83 310.90 1.7962 311.01 1.9081
84 359.35 -0.5771 359.42 -0.5055
85 446.51 0.4302 446.68 0.6007
86 563.60 -0.4998 563.89 -0.2105
87 440.73 1.2907 440.89 1.4499
88 281.41 1.9868 281.48 2.0561
89 374.60 -0.0552 374.75 0.0894
90 392.46 2.3156 392.52 2.3826
91 205.63 -0.2625 205.66 -0.2304
92 233.74 5.8551 233.78 5.9004
93 278.35 7.4999 278.44 7.5869
94 146.76 -0.6724 146.80 -0.6324
95 175.36 -0.1711 175.39 -0.1395
96 266.36 -2.7260 266.49 -2.5998
97 91.28 -2.5014 91.35 -2.4301
98 163.60 -2.6267 163.66 -2.5721
99 163.10 -2.0313 163.22 -1.9062
MD -0.96 -0.84
MAD 2.47 2.44
RMSD 4.33 4.29