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G2RC results

Density functional: SCAN

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 6.13 6.40 6.54
2 40 1 104 -1 -1 1 -2.26 -0.82 -0.83 -0.93
3 113 30 8 -1 1 1 -2.18 7.24 7.34 7.47
4 52 1 18 -1 -1 2 -4.10 0.75 0.86 0.97
5 30 13 40 1 -1 -1 1 1 -7.10 -10.08 -10.08 -10.11
6 128 13 126 22 -1 -1 1 1 -10.70 -0.50 -0.53 -0.44
7 100 13 106 -1 -1 1 -19.47 -10.30 -10.48 -10.61
8 25 14 121 -1 -1 1 -26.97 -9.86 -9.92 -10.01
9 39 45 51 -1 -1 2 -27.30 -0.19 -0.19 -0.15
10 58 59 57 60 -1 -1 1 1 -27.15 -1.39 -1.40 -1.39
11 67 61 66 62 -1 -1 1 1 -24.89 11.00 11.00 11.06
12 32 1 33 -1 -1 1 -29.46 -1.97 -1.98 -2.07
13 25 26 88 -1 -1 1 -32.71 -7.00 -7.13 -7.42
14 47 1 18 13 -1 -3 1 1 -36.32 -5.74 -5.76 -5.91
15 34 1 11 -1 -3 2 -39.43 -7.31 -7.31 -7.42
16 8 45 97 22 -1 -2 1 2 -48.52 0.45 0.44 0.31
17 25 1 26 -1 -1 1 -49.20 -4.39 -4.41 -4.52
18 56 1 21 13 -1 -3 1 2 -61.67 4.84 4.85 4.85
19 30 1 13 8 -1 -3 1 1 -65.15 -5.84 -5.84 -5.96
20 73 1 39 13 -1 -1 1 1 -68.90 7.98 7.98 7.99
21 68 1 34 13 -1 -1 1 1 -81.21 13.14 13.14 13.18
22 26 6 82 -1 -1 1 -109.11 -9.03 -9.12 -9.30
23 1 39 14 -1 -1 2 -135.40 6.55 6.55 6.55
24 25 94 -3 1 -154.04 -18.42 -18.82 -19.49
25 23 39 24 -1 -1 2 -216.11 4.99 4.99 5.02
MD -1.19 -1.21 -1.27
MAD 6.24 6.29 6.39
RMSD 7.64 7.72 7.85