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G2RC results

Density functional: mPWPW91

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 2.23 4.24 4.89
2 40 1 104 -1 -1 1 -2.26 2.05 1.48 1.29
3 113 30 8 -1 1 1 -2.18 6.03 7.19 7.71
4 52 1 18 -1 -1 2 -4.10 1.36 2.04 3.70
5 30 13 40 1 -1 -1 1 1 -7.10 -10.59 -10.71 -10.91
6 128 13 126 22 -1 -1 1 1 -10.70 1.94 2.03 2.82
7 100 13 106 -1 -1 1 -19.47 -4.88 -6.54 -6.85
8 25 14 121 -1 -1 1 -26.97 -5.15 -5.85 -6.18
9 39 45 51 -1 -1 2 -27.30 0.64 0.66 1.33
10 58 59 57 60 -1 -1 1 1 -27.15 1.99 1.34 1.87
11 67 61 66 62 -1 -1 1 1 -24.89 7.35 8.57 8.35
12 32 1 33 -1 -1 1 -29.46 1.50 1.01 0.85
13 25 26 88 -1 -1 1 -32.71 -2.37 -4.17 -5.32
14 47 1 18 13 -1 -3 1 1 -36.32 1.33 0.64 0.11
15 34 1 11 -1 -3 2 -39.43 -4.53 -4.58 -5.23
16 8 45 97 22 -1 -2 1 2 -48.52 6.93 5.82 5.98
17 25 1 26 -1 -1 1 -49.20 -1.71 -2.06 -2.61
18 56 1 21 13 -1 -3 1 2 -61.67 7.73 7.88 8.09
19 30 1 13 8 -1 -3 1 1 -65.15 -3.30 -3.42 -4.05
20 73 1 39 13 -1 -1 1 1 -68.90 10.23 10.37 10.35
21 68 1 34 13 -1 -1 1 1 -81.21 18.58 18.74 18.96
22 26 6 82 -1 -1 1 -109.11 -5.80 -6.94 -7.62
23 1 39 14 -1 -1 2 -135.40 9.45 9.46 9.49
24 25 94 -3 1 -154.04 -6.96 -9.57 -14.56
25 23 39 24 -1 -1 2 -216.11 10.87 10.90 11.48
MD 1.80 1.54 1.36
MAD 5.42 5.85 6.42
RMSD 6.82 7.23 7.81