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G2RC results

Density functional: BHLYP

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 -0.75 0.80 1.33
2 40 1 104 -1 -1 1 -2.26 -1.95 -2.37 -2.54
3 113 30 8 -1 1 1 -2.18 0.78 1.65 2.08
4 52 1 18 -1 -1 2 -4.10 -4.07 -3.54 -2.23
5 30 13 40 1 -1 -1 1 1 -7.10 -0.23 -0.32 -0.47
6 128 13 126 22 -1 -1 1 1 -10.70 -2.77 -2.71 -2.10
7 100 13 106 -1 -1 1 -19.47 -3.64 -4.90 -5.17
8 25 14 121 -1 -1 1 -26.97 -4.68 -5.21 -5.48
9 39 45 51 -1 -1 2 -27.30 -3.62 -3.61 -3.08
10 58 59 57 60 -1 -1 1 1 -27.15 -5.82 -6.29 -5.96
11 67 61 66 62 -1 -1 1 1 -24.89 6.83 7.74 7.64
12 32 1 33 -1 -1 1 -29.46 -1.89 -2.26 -2.40
13 25 26 88 -1 -1 1 -32.71 1.27 -0.09 -1.02
14 47 1 18 13 -1 -3 1 1 -36.32 -9.73 -10.24 -10.67
15 34 1 11 -1 -3 2 -39.43 -7.07 -7.11 -7.62
16 8 45 97 22 -1 -2 1 2 -48.52 1.39 0.56 0.67
17 25 1 26 -1 -1 1 -49.20 -4.01 -4.27 -4.71
18 56 1 21 13 -1 -3 1 2 -61.67 -12.52 -12.40 -12.24
19 30 1 13 8 -1 -3 1 1 -65.15 -4.73 -4.81 -5.31
20 73 1 39 13 -1 -1 1 1 -68.90 -1.92 -1.82 -1.83
21 68 1 34 13 -1 -1 1 1 -81.21 -3.79 -3.67 -3.49
22 26 6 82 -1 -1 1 -109.11 3.03 2.17 1.61
23 1 39 14 -1 -1 2 -135.40 -3.77 -3.77 -3.74
24 25 94 -3 1 -154.04 -5.50 -7.52 -11.41
25 23 39 24 -1 -1 2 -216.11 -2.84 -2.81 -2.35
MD -2.88 -3.07 -3.22
MAD 3.94 4.10 4.29
RMSD 4.84 5.09 5.40