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The G2RC subset - Results for B2PLYP

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), root mean square (RMSD),
maximum (max) and minimum (min) deviations are shown.
The results were published in: Goerigk, L.; Grimme, S. J. Chem. Theory Comput. 2010, 6, 107-126.

B2PLYP B2PLYP-D
# Result Res. - Ref. Result Res. - Ref.
1 -2.00 -1.0352 -0.86 0.1028
2 -0.24 1.7915 -0.48 1.5535
3 -1.57 0.9776 -1.08 1.4746
4 -6.16 -2.2825 -5.80 -1.9235
5 -11.15 -4.1387 -11.17 -4.1637
6 -10.47 -0.5145 -10.52 -0.5575
7 -19.89 0.2381 -20.92 -0.7949
8 -27.54 -2.1705 -27.93 -2.5625
9 -29.12 -2.7040 -29.12 -2.7020
10 -27.25 -0.4019 -27.28 -0.4319
11 -23.58 2.7543 -23.30 3.0323
12 -28.39 0.8384 -28.80 0.4304
13 -29.58 3.1489 -30.98 1.7529
14 -34.98 -1.0682 -35.53 -1.6222
15 -40.34 -1.4714 -40.48 -1.6114
16 -46.49 0.5868 -46.63 0.4528
17 -48.89 -0.4719 -49.24 -0.8249
18 -59.50 0.9746 -59.57 0.9016
19 -65.60 -0.8225 -65.95 -1.1745
20 -67.04 1.6842 -67.00 1.7212
21 -75.11 5.6331 -75.09 5.6541
22 -109.40 -0.3415 -110.47 -1.4085
23 -134.84 -0.5516 -134.84 -0.5506
24 -152.95 -1.3822 -154.83 -3.2612
25 -217.44 -4.7375 -217.02 -4.3215
MD -0.22 -0.43
MAD 1.71 1.80
RMSD 2.22 2.26
max 5.63 5.65
min -4.74 -4.32