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The W4-08 subset - Results for oTPSS

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.

oTPSS oTPSS-D3
# Result Res. - Ref. Result Res. - Ref.
1 616.23 9.2093 617.48 10.4592
2 412.40 1.4275 413.00 2.0288
3 470.25 -0.7200 470.66 -0.3054
4 713.77 0.6904 715.01 1.9279
5 346.73 2.9778 346.84 3.0945
6 502.03 -0.0060 502.49 0.4483
7 485.28 2.9966 485.84 3.5609
8 477.72 3.0927 478.24 3.6100
9 580.52 -1.7764 581.39 -0.9110
10 260.37 1.5902 260.44 1.6609
11 225.08 0.2183 225.10 0.2445
12 291.84 -4.6912 291.98 -4.5489
13 434.05 -4.2346 434.60 -3.6774
14 147.37 12.6493 147.56 12.8392
15 168.48 16.1145 168.92 16.5548
16 425.17 -5.7973 425.78 -5.1863
17 536.04 0.1473 537.90 2.0137
18 284.75 -5.8299 284.81 -5.7731
19 257.50 -3.1205 257.67 -2.9491
20 345.29 -1.6458 345.80 -1.1353
21 341.85 6.0970 342.02 6.2667
22 286.26 5.4753 286.52 5.7440
23 207.70 -1.0764 207.95 -0.8290
24 166.86 -1.5048 167.24 -1.1171
25 232.66 -1.6921 233.58 -0.7739
26 229.34 4.0733 229.96 4.6873
27 178.44 1.0771 178.65 1.2869
28 308.80 -3.8505 310.65 -1.9967
29 284.50 -0.9499 284.84 -0.6059
30 132.89 4.7659 133.08 4.9558
31 136.10 9.7134 136.50 10.1081
32 97.02 -4.4449 97.23 -4.2344
33 109.92 0.4317 109.92 0.4317
34 108.52 1.3149 108.53 1.3152
35 141.79 0.1471 141.79 0.1474
36 231.99 -0.9849 231.99 -0.9801
37 84.84 0.6233 84.84 0.6236
38 198.20 7.4582 198.24 7.4952
39 313.42 5.5462 313.49 5.6165
40 422.47 2.0546 422.57 2.1497
41 269.98 3.8156 270.07 3.9128
42 407.23 1.7066 407.43 1.9074
43 297.01 -1.0057 297.04 -0.9828
44 134.55 -12.4660 134.55 -12.4657
45 221.20 -7.2839 221.20 -7.2837
46 256.83 -2.8962 256.83 -2.8957
47 183.06 1.7124 183.06 1.7128
48 151.08 -1.6664 151.08 -1.6659
49 126.10 5.2830 126.10 5.2836
50 57.23 4.1517 57.23 4.1542
51 39.94 0.9008 39.94 0.9041
52 241.84 -0.4307 241.99 -0.2816
53 88.51 0.7844 88.52 0.7855
54 183.56 -0.3526 183.59 -0.3204
55 107.38 -0.1179 107.38 -0.1165
56 128.93 2.4587 128.93 2.4601
57 67.12 1.6696 67.12 1.6734
58 61.77 -1.0256 61.78 -1.0210
59 110.37 -7.2187 110.38 -7.2149
60 106.21 1.9639 106.22 1.9699
61 56.01 -3.7363 56.03 -3.7201
62 8.88 6.2078 9.13 6.4628
63 73.70 6.2418 73.70 6.2434
64 82.68 -2.3125 82.68 -2.3116
65 284.76 3.4657 284.90 3.6144
66 99.09 -6.1480 99.09 -6.1471
67 181.59 -0.9319 181.59 -0.9311
68 85.76 2.6588 85.76 2.6590
69 184.76 2.1710 184.77 2.1783
70 311.71 -1.7077 311.80 -1.6204
71 159.05 0.3996 159.13 0.4815
72 72.51 -1.0593 72.51 -1.0556
73 215.32 2.1520 215.63 2.4594
74 160.00 -3.7833 160.00 -3.7796
75 120.01 -2.6132 120.03 -2.5913
76 73.85 -0.0729 73.85 -0.0716
77 325.47 0.5218 326.13 1.1834
78 187.68 -5.3727 187.68 -5.3705
79 141.51 -1.2027 141.51 -1.1995
80 170.08 -2.1404 170.08 -2.1380
81 112.20 6.3780 112.20 6.3791
82 135.95 3.2271 135.95 3.2283
83 311.45 2.3541 311.68 2.5783
84 361.31 1.3796 361.43 1.4993
85 451.89 5.8110 452.23 6.1503
86 565.22 1.1222 565.79 1.6924
87 438.49 -0.9507 438.79 -0.6454
88 283.60 4.1759 283.71 4.2907
89 375.33 0.6676 375.57 0.9081
90 395.78 5.6416 395.89 5.7530
91 201.72 -4.1659 201.78 -4.1129
92 236.27 8.3928 236.35 8.4679
93 275.76 4.9083 275.90 5.0519
94 149.13 1.7021 149.20 1.7683
95 178.03 2.5034 178.09 2.5557
96 267.25 -1.8363 267.47 -1.6175
97 97.95 4.1675 98.07 4.2863
98 163.34 -2.8897 163.43 -2.8005
99 165.51 0.3824 165.72 0.5897
MD 0.84 1.06
MAD 3.22 3.27
RMSD 4.35 4.43