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G2RC results

Density functional: MPW2PLYP

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 0.92 1.66 1.68
2 40 1 104 -1 -1 1 -2.26 0.68 0.46 0.47
3 113 30 8 -1 1 1 -2.18 1.21 1.64 1.67
4 52 1 18 -1 -1 2 -4.10 -2.21 -1.95 -1.68
5 30 13 40 1 -1 -1 1 1 -7.10 -3.18 -3.22 -3.25
6 128 13 126 22 -1 -1 1 1 -10.70 -0.47 -0.43 -0.28
7 100 13 106 -1 -1 1 -19.47 -1.54 -2.15 -2.11
8 25 14 121 -1 -1 1 -26.97 -1.68 -1.95 -1.97
9 39 45 51 -1 -1 2 -27.30 -2.12 -2.11 -1.99
10 58 59 57 60 -1 -1 1 1 -27.15 -0.48 -0.73 -0.49
11 67 61 66 62 -1 -1 1 1 -24.89 1.02 1.49 1.23
12 32 1 33 -1 -1 1 -29.46 0.01 -0.18 -0.18
13 25 26 88 -1 -1 1 -32.71 2.11 1.43 1.29
14 47 1 18 13 -1 -3 1 1 -36.32 -1.36 -1.62 -1.69
15 34 1 11 -1 -3 2 -39.43 -2.75 -2.77 -2.96
16 8 45 97 22 -1 -2 1 2 -48.52 1.44 1.01 1.15
17 25 1 26 -1 -1 1 -49.20 -0.77 -0.90 -1.02
18 56 1 21 13 -1 -3 1 2 -61.67 -0.37 -0.31 -0.32
19 30 1 13 8 -1 -3 1 1 -65.15 -1.77 -1.81 -1.99
20 73 1 39 13 -1 -1 1 1 -68.90 1.22 1.28 1.25
21 68 1 34 13 -1 -1 1 1 -81.21 4.32 4.38 4.42
22 26 6 82 -1 -1 1 -109.11 -0.35 -0.78 -0.86
23 1 39 14 -1 -1 2 -135.40 -0.35 -0.35 -0.34
24 25 94 -3 1 -154.04 -1.40 -2.37 -3.48
25 23 39 24 -1 -1 2 -216.11 -2.10 -2.09 -2.00
MD -0.40 -0.50 -0.54
MAD 1.43 1.56 1.59
RMSD 1.74 1.84 1.91