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G2RC results

Density functional: BPBE

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 0.59 3.44 3.92
2 40 1 104 -1 -1 1 -2.26 3.46 2.72 2.49
3 113 30 8 -1 1 1 -2.18 4.74 6.36 6.83
4 52 1 18 -1 -1 2 -4.10 1.49 2.27 3.89
5 30 13 40 1 -1 -1 1 1 -7.10 -10.70 -10.85 -11.06
6 128 13 126 22 -1 -1 1 1 -10.70 2.05 2.13 2.98
7 100 13 106 -1 -1 1 -19.47 -3.42 -5.66 -5.92
8 25 14 121 -1 -1 1 -26.97 -4.04 -4.99 -5.34
9 39 45 51 -1 -1 2 -27.30 0.96 0.97 1.59
10 58 59 57 60 -1 -1 1 1 -27.15 1.71 0.89 1.82
11 67 61 66 62 -1 -1 1 1 -24.89 8.48 9.89 9.35
12 32 1 33 -1 -1 1 -29.46 2.61 1.95 1.76
13 25 26 88 -1 -1 1 -32.71 -1.72 -4.30 -5.38
14 47 1 18 13 -1 -3 1 1 -36.32 2.87 1.93 1.35
15 34 1 11 -1 -3 2 -39.43 -2.09 -2.16 -3.02
16 8 45 97 22 -1 -2 1 2 -48.52 6.90 5.58 5.56
17 25 1 26 -1 -1 1 -49.20 -0.76 -1.26 -1.90
18 56 1 21 13 -1 -3 1 2 -61.67 8.69 8.88 9.00
19 30 1 13 8 -1 -3 1 1 -65.15 -1.12 -1.27 -2.11
20 73 1 39 13 -1 -1 1 1 -68.90 10.24 10.41 10.38
21 68 1 34 13 -1 -1 1 1 -81.21 18.91 19.09 19.36
22 26 6 82 -1 -1 1 -109.11 -4.89 -6.50 -7.17
23 1 39 14 -1 -1 2 -135.40 9.60 9.60 9.64
24 25 94 -3 1 -154.04 -4.76 -8.53 -14.06
25 23 39 24 -1 -1 2 -216.11 12.44 12.48 12.92
MD 2.49 2.12 1.87
MAD 5.17 5.76 6.35
RMSD 6.82 7.28 7.81