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G2RC results

Density functional: B2PLYP

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

~
# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 118 117 13 -1 1 1 -2.23 0.38 1.43 1.64
2 40 1 104 -1 -1 1 -2.26 2.11 1.81 1.77
3 113 30 8 -1 1 1 -2.18 0.36 0.96 1.13
4 52 1 18 -1 -1 2 -4.10 -1.96 -1.60 -0.83
5 30 13 40 1 -1 -1 1 1 -7.10 -3.80 -3.87 -3.94
6 128 13 126 22 -1 -1 1 1 -10.70 0.10 0.15 0.51
7 100 13 106 -1 -1 1 -19.47 -0.15 -1.01 -1.06
8 25 14 121 -1 -1 1 -26.97 -0.49 -0.85 -0.96
9 39 45 51 -1 -1 2 -27.30 -1.69 -1.69 -1.38
10 58 59 57 60 -1 -1 1 1 -27.15 0.34 0.00 0.23
11 67 61 66 62 -1 -1 1 1 -24.89 0.35 0.99 0.89
12 32 1 33 -1 -1 1 -29.46 1.28 1.02 0.98
13 25 26 88 -1 -1 1 -32.71 3.45 2.51 2.09
14 47 1 18 13 -1 -3 1 1 -36.32 1.45 1.09 0.90
15 34 1 11 -1 -3 2 -39.43 -0.25 -0.28 -0.56
16 8 45 97 22 -1 -2 1 2 -48.52 2.06 1.47 1.61
17 25 1 26 -1 -1 1 -49.20 0.51 0.33 0.11
18 56 1 21 13 -1 -3 1 2 -61.67 2.60 2.68 2.77
19 30 1 13 8 -1 -3 1 1 -65.15 0.39 0.33 0.05
20 73 1 39 13 -1 -1 1 1 -68.90 2.14 2.21 2.20
21 68 1 34 13 -1 -1 1 1 -81.21 6.02 6.10 6.19
22 26 6 82 -1 -1 1 -109.11 0.43 -0.16 -0.40
23 1 39 14 -1 -1 2 -135.40 0.92 0.92 0.94
24 25 94 -3 1 -154.04 1.71 0.35 -1.83
25 23 39 24 -1 -1 2 -216.11 -1.37 -1.36 -1.09
MD 0.68 0.54 0.48
MAD 1.45 1.41 1.44
RMSD 2.00 1.92 1.94