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The BSR36 subset - Results for M06L

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.

M06L M06L-D3
# Result Res. - Ref. Result Res. - Ref.
1 6.52 -3.2907 6.85 -2.9615
2 6.36 -3.3027 6.67 -2.9933
3 7.47 -3.8958 7.80 -3.5730
4 6.00 -3.0418 6.31 -2.7278
5 5.82 -2.8855 6.10 -2.6102
6 7.28 -3.6298 7.65 -3.2605
7 8.74 -4.3099 9.22 -3.8347
8 7.79 -4.0996 8.21 -3.6798
9 8.68 -4.8496 9.15 -4.3829
10 7.50 -3.9303 7.97 -3.4574
11 8.12 -4.8482 8.61 -4.3640
12 8.59 -4.1819 9.08 -3.6898
13 7.33 -3.9047 7.76 -3.4697
14 6.39 -3.7712 6.88 -3.2766
15 9.07 -5.9766 9.75 -5.3031
16 0.01 -2.3686 0.10 -2.2753
17 7.49 -3.1791 7.69 -2.9803
18 2.84 -3.5078 3.05 -3.3034
19 10.36 -4.5193 10.70 -4.1798
20 5.65 -4.9985 5.99 -4.6570
21 5.41 -4.7031 5.74 -4.3676
22 4.81 -4.3181 5.16 -3.9705
23 5.93 -4.5461 6.28 -4.1955
24 5.11 -4.7130 5.44 -4.3773
25 11.90 -7.4027 12.63 -6.6657
26 2.56 -7.1119 3.35 -6.3151
27 7.72 -7.4718 8.45 -6.7394
28 18.12 -7.9326 18.84 -7.2070
29 16.28 -7.1684 17.03 -6.4203
30 19.10 -8.8623 20.18 -7.7821
31 17.02 -8.3874 17.96 -7.4480
32 19.35 -8.2109 19.93 -7.6339
33 26.36 -13.2045 27.40 -12.1634
34 20.39 -12.0331 21.43 -10.9907
35 35.61 -15.8307 37.19 -14.2504
36 30.63 -16.4294 31.79 -15.2678
MD -6.02 -5.47
MAD 6.02 5.47
RMSD 6.95 6.32