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G2RC results

Density functional: TPSS1KCIS

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 0.81 2.77 3.61
2 40 1 104 -1 -1 1 -2.26 2.62 2.01 1.98
3 113 30 8 -1 1 1 -2.18 3.49 4.66 5.16
4 52 1 18 -1 -1 2 -4.10 -1.19 -0.55 4.76
5 30 13 40 1 -1 -1 1 1 -7.10 -9.26 -9.39 -9.64
6 128 13 126 22 -1 -1 1 1 -10.70 0.18 0.31 1.70
7 100 13 106 -1 -1 1 -19.47 -3.67 -5.31 -5.48
8 25 14 121 -1 -1 1 -26.97 -5.97 -6.68 -6.90
9 39 45 51 -1 -1 2 -27.30 -0.05 -0.04 1.51
10 58 59 57 60 -1 -1 1 1 -27.15 -0.44 -1.13 -4.48
11 67 61 66 62 -1 -1 1 1 -24.89 7.44 8.74 12.57
12 32 1 33 -1 -1 1 -29.46 1.90 1.38 1.39
13 25 26 88 -1 -1 1 -32.71 -1.45 -3.29 -4.51
14 47 1 18 13 -1 -3 1 1 -36.32 -3.07 -3.80 -4.09
15 34 1 11 -1 -3 2 -39.43 0.97 0.91 0.49
16 8 45 97 22 -1 -2 1 2 -48.52 5.98 4.79 5.87
17 25 1 26 -1 -1 1 -49.20 -1.88 -2.24 -2.63
18 56 1 21 13 -1 -3 1 2 -61.67 6.64 6.80 7.50
19 30 1 13 8 -1 -3 1 1 -65.15 -0.09 -0.21 -0.61
20 73 1 39 13 -1 -1 1 1 -68.90 9.00 9.14 9.13
21 68 1 34 13 -1 -1 1 1 -81.21 13.94 14.11 14.36
22 26 6 82 -1 -1 1 -109.11 -3.30 -4.48 -5.09
23 1 39 14 -1 -1 2 -135.40 9.62 9.63 9.66
24 25 94 -3 1 -154.04 -5.22 -7.75 -13.49
25 23 39 24 -1 -1 2 -216.11 9.62 9.66 11.92
MD 1.46 1.20 1.39
MAD 4.31 4.79 5.94
RMSD 5.69 6.08 7.18