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The W4-08 subset - Results for S2-MP2

All results were obtained with the def2-TZVPP and def2-QZVP basis sets and extrapolated to the CBS limit.
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.

S2-MP2
# Result Res. - Ref.
1 613.11 6.0940
2 429.23 18.2641
3 496.22 25.2547
4 724.24 11.1607
5 343.58 -0.1733
6 540.78 38.7385
7 493.86 11.5822
8 483.50 8.8660
9 596.55 14.2465
10 274.27 15.4876
11 228.69 3.8335
12 312.09 15.5649
13 454.86 16.5783
14 116.21 -18.5103
15 172.95 20.5847
16 454.30 23.3278
17 537.81 1.9165
18 313.70 23.1156
19 288.36 27.7380
20 385.25 38.3104
21 360.10 24.3472
22 300.58 19.7986
23 230.32 21.5356
24 183.84 15.4767
25 262.73 28.3825
26 238.11 12.8439
27 186.61 9.2472
28 327.04 14.3859
29 307.83 22.3772
30 148.76 20.6428
31 99.97 -26.4226
32 115.20 13.7394
33 107.53 -1.9571
34 110.72 3.5108
35 148.60 6.9570
36 242.71 9.7367
37 83.87 -0.3501
38 191.69 0.9532
39 310.70 2.8317
40 425.27 4.8474
41 260.33 -5.8319
42 420.01 14.4909
43 306.34 8.3190
44 163.16 16.1407
45 248.46 19.9847
46 276.00 16.2724
47 169.55 -11.8017
48 165.67 12.9215
49 131.36 10.5432
50 56.35 3.2728
51 46.76 7.7166
52 241.71 -0.5570
53 88.02 0.2871
54 185.92 2.0106
55 109.91 2.4065
56 135.23 8.7600
57 65.45 0.0043
58 70.22 7.4174
59 124.82 7.2340
60 108.09 3.8359
61 64.10 4.3499
62 1.16 -1.5084
63 63.97 -3.4858
64 84.62 -0.3692
65 284.49 3.2041
66 123.38 18.1431
67 191.29 8.7674
68 83.68 0.5759
69 186.37 3.7769
70 331.22 17.8017
71 170.64 11.9936
72 73.11 -0.4611
73 213.00 -0.1682
74 172.09 8.3080
75 127.81 5.1927
76 72.50 -1.4184
77 325.58 0.6321
78 208.03 14.9761
79 149.87 7.1594
80 181.56 9.3447
81 110.21 4.3933
82 139.82 7.1050
83 328.69 19.5931
84 367.29 7.3551
85 447.19 1.1104
86 575.26 11.1645
87 453.54 14.0976
88 293.49 14.0670
89 390.28 15.6152
90 419.42 29.2840
91 221.93 16.0414
92 255.27 27.3932
93 305.19 34.3381
94 180.18 32.7455
95 183.17 7.6409
96 285.67 16.5774
97 108.70 14.9238
98 177.37 11.1403
99 168.35 3.2224
MD 10.33
MAD 11.81
RMSD 15.00