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The MB08-165 subset - Results for revSSB

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.

revSSB revSSB-D3
# Result Res. - Ref. Result Res. - Ref.
1 117.45 -11.5304 118.53 -10.4529
2 23.62 13.4157 24.99 14.7938
3 -16.34 48.1811 -14.99 49.5322
4 64.89 0.6774 67.20 2.9836
5 110.14 6.7948 111.76 8.4146
6 110.89 16.0306 112.27 17.4097
7 -75.32 8.4755 -74.49 9.2991
8 -87.64 0.2186 -87.24 0.6175
9 134.65 32.7983 136.47 34.6145
10 59.33 -14.1022 60.21 -13.2219
11 -48.34 21.5846 -47.08 22.8438
12 16.14 9.8443 16.50 10.2103
13 2.31 10.0333 3.94 11.6724
14 212.76 -0.0831 213.81 0.9730
15 154.12 -13.6692 156.10 -11.6884
16 77.80 7.1442 78.10 7.4461
17 91.96 -1.8318 94.13 0.3357
18 3.34 5.4837 3.95 6.0917
19 103.16 23.3476 104.69 24.8784
20 315.07 -0.0563 316.16 1.0300
21 142.21 -3.1760 144.05 -1.3303
22 85.31 3.2898 87.03 5.0062
23 35.77 2.3611 36.20 2.7916
24 187.45 20.8271 189.34 22.7194
25 -27.53 7.2641 -25.97 8.8241
26 -44.11 9.8106 -43.24 10.6841
27 -64.69 -0.4276 -64.38 -0.1197
28 236.28 7.9898 237.94 9.6478
29 115.07 -26.4484 117.60 -23.9178
30 18.31 23.5478 19.43 24.6715
31 192.43 -6.9267 193.93 -5.4191
32 324.95 -21.8106 326.48 -20.2876
33 238.29 -8.5451 240.23 -6.6117
34 -9.53 0.1816 -8.34 1.3752
35 -6.45 -1.5336 -5.74 -0.8252
36 -43.72 -9.2872 -42.64 -8.2071
37 -195.50 3.8570 -192.91 6.4476
38 56.75 15.0965 58.51 16.8550
39 40.18 14.6569 42.44 16.9208
40 169.76 24.7834 173.07 28.0949
41 275.30 2.1673 276.92 3.7871
42 314.66 -1.4254 315.77 -0.3146
43 28.88 -2.9657 31.47 -0.3796
44 4.00 0.2454 4.57 0.8211
45 68.60 3.0552 68.98 3.4314
46 55.80 19.1736 56.34 19.7127
47 60.84 11.3284 61.81 12.2946
48 79.55 -16.7722 81.50 -14.8274
49 93.20 -0.2986 95.66 2.1590
50 59.49 -3.1338 61.50 -1.1243
51 92.88 4.5837 94.17 5.8706
52 -1.33 11.3648 -0.01 12.6802
53 44.20 -3.7850 45.22 -2.7677
54 38.24 21.2877 41.01 24.0617
55 407.20 -26.4606 410.76 -22.8997
56 242.89 -5.5685 244.34 -4.1218
57 68.53 3.2347 68.74 3.4434
58 26.25 13.0323 26.78 13.5583
59 48.83 -0.9840 50.84 1.0224
60 290.68 8.5547 292.35 10.2266
61 95.62 -1.3241 97.98 1.0442
62 2.77 0.5570 3.63 1.4221
63 324.99 -6.1076 328.46 -2.6407
64 -36.16 9.1994 -35.64 9.7184
65 165.47 -19.8882 168.40 -16.9572
66 27.16 19.2860 28.31 20.4374
67 142.09 8.3771 143.15 9.4372
68 116.98 13.2320 117.98 14.2273
69 211.39 10.1413 213.04 11.7951
70 60.04 -2.5494 61.93 -0.6666
71 78.85 -16.4664 80.08 -15.2358
72 124.89 -24.0468 125.74 -23.1923
73 -26.02 11.4839 -25.26 12.2467
74 45.43 28.0412 46.15 28.7551
75 41.61 9.0492 43.28 10.7219
76 72.36 6.8670 72.64 7.1433
77 120.38 28.7439 122.09 30.4569
78 211.37 -13.8676 213.19 -12.0457
79 136.33 -3.2100 138.06 -1.4781
80 45.63 8.4079 46.45 9.2289
81 94.33 7.5028 95.36 8.5348
82 -114.48 5.9643 -113.52 6.9237
83 -163.71 5.3408 -162.56 6.4883
84 -18.15 0.1918 -17.72 0.6244
85 -158.77 -41.0489 -157.84 -40.1193
86 16.11 9.7494 16.49 10.1348
87 -42.99 11.4699 -42.12 12.3429
88 -370.01 24.8736 -368.47 26.4116
89 -175.28 24.8954 -174.19 25.9939
90 -107.83 1.1738 -106.96 2.0398
91 23.18 -14.4873 24.57 -13.0898
92 -8.23 -0.3879 -6.88 0.9609
93 24.93 7.5215 26.05 8.6494
94 31.66 -12.9568 33.15 -11.4757
95 -341.77 0.0443 -339.56 2.2522
96 -75.30 12.4460 -74.31 13.4376
97 -135.00 -3.5406 -133.41 -1.9534
98 165.91 -15.6908 167.85 -13.7520
99 56.11 -11.7590 57.23 -10.6329
100 -94.41 4.4406 -94.03 4.8266
101 10.93 -9.5243 12.37 -8.0810
102 -17.01 -6.4792 -14.96 -4.4264
103 -168.32 3.3749 -167.15 4.5447
104 -205.57 2.3330 -204.90 3.0057
105 -97.49 9.8013 -96.40 10.8905
106 -93.52 7.3967 -92.17 8.7519
107 -90.32 34.4764 -89.28 35.5146
108 -100.79 25.1727 -99.29 26.6722
109 5.62 14.0910 6.29 14.7630
110 -194.47 -7.4618 -193.47 -6.4619
111 -343.05 19.2991 -341.93 20.4271
112 -370.58 -10.7387 -369.15 -9.3057
113 29.72 -15.7443 31.82 -13.6507
114 -124.27 22.6279 -122.45 24.4488
115 -48.67 19.2716 -47.50 20.4425
116 252.79 -22.3624 254.72 -20.4375
117 -34.66 -9.1987 -33.65 -8.1914
118 38.21 -14.3610 39.02 -13.5432
119 230.08 -11.2914 231.38 -9.9910
120 50.07 4.8990 51.53 6.3593
121 -64.52 -5.0678 -64.03 -4.5828
122 170.96 -21.9078 172.43 -20.4352
123 -108.63 16.9431 -107.24 18.3250
124 -296.29 15.0942 -295.06 16.3250
125 50.49 -12.1370 52.66 -9.9645
126 54.13 -5.9146 55.44 -4.6136
127 -64.62 -0.5232 -64.31 -0.2108
128 -67.45 -5.2684 -64.66 -2.4806
129 -584.54 -13.9279 -582.94 -12.3217
130 -176.07 16.0396 -175.03 17.0794
131 -99.87 -3.8751 -98.70 -2.7002
132 -37.74 0.1733 -36.69 1.2186
133 120.24 12.5960 121.79 14.1401
134 -74.45 7.4831 -74.05 7.8910
135 62.48 22.9695 64.40 24.8942
136 45.09 -4.0809 46.46 -2.7138
137 -6.37 -0.0255 -6.01 0.3339
138 55.75 8.2773 56.83 9.3636
139 -268.62 -1.9233 -267.18 -0.4813
140 14.46 -10.9328 15.82 -9.5649
141 -98.01 16.7915 -96.79 18.0031
142 -115.10 -28.8296 -113.03 -26.7630
143 -188.36 4.0569 -187.23 5.1819
144 183.66 4.5999 185.77 6.7126
145 -113.41 60.4835 -112.43 61.4594
146 -58.09 -3.0834 -57.41 -2.4031
147 -69.78 -1.7259 -68.67 -0.6107
148 -245.25 14.5246 -244.30 15.4732
149 -96.97 20.0213 -95.63 21.3665
150 -107.80 11.5667 -106.84 12.5273
151 -212.21 12.9971 -211.20 14.0067
152 52.20 -6.9821 53.64 -5.5443
153 274.93 -26.7177 277.58 -24.0710
154 -301.04 11.6207 -300.13 12.5271
155 -68.61 3.6263 -67.96 4.2700
156 -57.84 19.9509 -56.63 21.1567
157 -234.84 5.8434 -234.38 6.2983
158 -172.71 -8.5899 -171.63 -7.5023
159 162.50 -17.8928 165.56 -14.8339
160 130.09 2.2723 132.42 4.5964
161 -55.09 24.2648 -53.03 26.3271
162 -64.74 -0.4939 -64.46 -0.2160
163 -47.51 -5.0223 -45.88 -3.3964
164 49.44 -2.8424 51.22 -1.0694
165 -151.97 -15.3407 -150.56 -13.9325
MD 3.04 4.40
MAD 11.26 11.38
RMSD 14.83 15.06