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The MB08-165 subset - Results for ωB97X-D

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.

ωB97X-D
# Result Res. - Ref.
1 122.21 -6.7686
2 26.51 16.3119
3 -72.15 -7.6298
4 63.25 -0.9647
5 103.69 0.3527
6 83.63 -11.2297
7 -83.10 0.6958
8 -94.71 -6.8488
9 92.31 -9.5464
10 65.59 -7.8418
11 -69.89 0.0355
12 7.22 0.9270
13 1.02 8.7471
14 202.16 -10.6800
15 159.40 -8.3820
16 69.62 -1.0319
17 87.88 -5.9094
18 -4.56 -2.4159
19 83.39 3.5791
20 308.71 -6.4198
21 127.85 -17.5368
22 86.43 4.4046
23 32.71 -0.6931
24 160.76 -5.8626
25 -25.83 8.9656
26 -50.28 3.6451
27 -68.64 -4.3875
28 226.63 -1.6661
29 131.77 -9.7501
30 0.69 5.9308
31 196.25 -3.1013
32 315.99 -30.7789
33 243.11 -3.7260
34 -6.06 3.6606
35 -10.54 -5.6267
36 -36.30 -1.8651
37 -210.82 -11.4632
38 35.39 -6.2606
39 29.62 4.0968
40 135.59 -9.3861
41 274.65 1.5167
42 308.74 -7.3463
43 20.21 -11.6360
44 3.84 0.0881
45 65.41 -0.1329
46 29.41 -7.2151
47 62.08 12.5608
48 81.03 -15.2952
49 91.92 -1.5830
50 61.12 -1.4990
51 89.96 1.6622
52 -21.74 -9.0448
53 35.69 -12.2975
54 12.54 -4.4111
55 422.97 -10.6934
56 245.10 -3.3572
57 65.05 -0.2436
58 17.61 4.3865
59 49.32 -0.4960
60 284.06 1.9405
61 94.72 -2.2233
62 3.12 0.9128
63 316.16 -14.9410
64 -46.69 -1.3360
65 174.99 -10.3678
66 12.26 4.3789
67 130.59 -3.1237
68 108.46 4.7091
69 208.56 7.3129
70 60.79 -1.7996
71 79.98 -15.3320
72 131.83 -17.1068
73 -43.40 -5.8984
74 3.59 -13.8001
75 36.07 3.5150
76 64.57 -0.9270
77 98.72 7.0819
78 206.22 -19.0134
79 138.54 -0.9921
80 30.16 -7.0552
81 94.14 7.3133
82 -120.71 -0.2710
83 -183.05 -14.0004
84 -19.07 -0.7233
85 -134.85 -17.1347
86 7.28 0.9265
87 -67.40 -12.9380
88 -407.63 -12.7416
89 -207.02 -6.8441
90 -108.27 0.7319
91 22.53 -15.1370
92 -8.85 -1.0109
93 28.59 11.1886
94 37.95 -6.6746
95 -357.60 -15.7865
96 -85.24 2.5059
97 -133.70 -2.2426
98 174.74 -6.8602
99 61.13 -6.7394
100 -100.19 -1.3388
101 14.94 -5.5113
102 -12.67 -2.1422
103 -170.87 0.8236
104 -218.64 -10.7402
105 -105.10 2.1905
106 -102.88 -1.9633
107 -105.68 19.1165
108 -122.58 3.3752
109 -0.55 7.9278
110 -194.59 -7.5777
111 -363.27 -0.9143
112 -379.15 -19.3124
113 29.70 -15.7625
114 -142.38 4.5236
115 -68.21 -0.2693
116 264.57 -10.5833
117 -30.36 -4.9008
118 37.86 -14.7068
119 242.98 1.6146
120 46.58 1.4008
121 -64.30 -4.8466
122 166.62 -26.2495
123 -118.66 6.9147
124 -323.03 -11.6464
125 49.80 -12.8210
126 52.99 -7.0596
127 -68.51 -4.4137
128 -65.28 -3.1044
129 -604.81 -34.1980
130 -205.86 -13.7512
131 -96.29 -0.2897
132 -49.12 -11.2145
133 119.88 12.2349
134 -82.40 -0.4594
135 54.66 15.1461
136 36.71 -12.4650
137 -7.60 -1.2488
138 52.50 5.0334
139 -267.62 -0.9260
140 12.92 -12.4644
141 -115.48 -0.6840
142 -102.99 -16.7253
143 -189.82 2.5934
144 181.97 2.9083
145 -194.27 -20.3767
146 -61.96 -6.9582
147 -72.41 -4.3504
148 -285.93 -26.1535
149 -116.22 0.7713
150 -128.45 -9.0841
151 -228.32 -3.1168
152 53.67 -5.5145
153 284.36 -17.2932
154 -332.10 -19.4390
155 -88.15 -15.9212
156 -84.44 -6.6469
157 -249.45 -8.7654
158 -185.09 -20.9632
159 179.46 -0.9312
160 134.91 7.0920
161 -67.37 11.9831
162 -68.67 -4.4211
163 -54.27 -11.7848
164 50.94 -1.3475
165 -160.23 -23.5978
MD -4.57
MAD 7.47
RMSD 9.95