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G2RC results

Density functional: BP86

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 2.02 4.32 4.52
2 40 1 104 -1 -1 1 -2.26 2.18 1.59 1.50
3 113 30 8 -1 1 1 -2.18 5.22 6.51 6.74
4 52 1 18 -1 -1 2 -4.10 0.76 1.42 2.88
5 30 13 40 1 -1 -1 1 1 -7.10 -10.04 -10.16 -10.32
6 128 13 126 22 -1 -1 1 1 -10.70 1.82 1.89 2.62
7 100 13 106 -1 -1 1 -19.47 -4.37 -6.16 -6.18
8 25 14 121 -1 -1 1 -26.97 -4.80 -5.56 -5.73
9 39 45 51 -1 -1 2 -27.30 0.52 0.53 1.07
10 58 59 57 60 -1 -1 1 1 -27.15 1.44 0.81 1.29
11 67 61 66 62 -1 -1 1 1 -24.89 6.64 7.76 7.66
12 32 1 33 -1 -1 1 -29.46 1.83 1.32 1.25
13 25 26 88 -1 -1 1 -32.71 -1.22 -3.25 -3.93
14 47 1 18 13 -1 -3 1 1 -36.32 2.55 1.83 1.47
15 34 1 11 -1 -3 2 -39.43 -3.57 -3.63 -4.20
16 8 45 97 22 -1 -2 1 2 -48.52 7.02 5.97 6.05
17 25 1 26 -1 -1 1 -49.20 -1.18 -1.57 -1.98
18 56 1 21 13 -1 -3 1 2 -61.67 8.20 8.35 8.49
19 30 1 13 8 -1 -3 1 1 -65.15 -2.01 -2.12 -2.68
20 73 1 39 13 -1 -1 1 1 -68.90 10.62 10.75 10.73
21 68 1 34 13 -1 -1 1 1 -81.21 18.23 18.38 18.57
22 26 6 82 -1 -1 1 -109.11 -4.13 -5.39 -5.78
23 1 39 14 -1 -1 2 -135.40 9.79 9.79 9.82
24 25 94 -3 1 -154.04 -5.51 -8.59 -12.52
25 23 39 24 -1 -1 2 -216.11 10.93 10.96 11.40
MD 2.12 1.83 1.71
MAD 5.06 5.54 5.97
RMSD 6.58 6.97 7.36