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G2RC results

Density functional: MPW1B95

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 -2.28 -1.19 -1.38
2 40 1 104 -1 -1 1 -2.26 -0.07 -0.39 -0.27
3 113 30 8 -1 1 1 -2.18 3.67 4.31 4.17
4 52 1 18 -1 -1 2 -4.10 0.07 0.45 1.13
5 30 13 40 1 -1 -1 1 1 -7.10 -5.51 -5.58 -5.60
6 128 13 126 22 -1 -1 1 1 -10.70 -1.10 -1.03 -0.75
7 100 13 106 -1 -1 1 -19.47 -4.87 -5.77 -5.47
8 25 14 121 -1 -1 1 -26.97 -5.14 -5.52 -5.43
9 39 45 51 -1 -1 2 -27.30 -1.85 -1.84 -1.60
10 58 59 57 60 -1 -1 1 1 -27.15 -2.67 -3.04 -3.05
11 67 61 66 62 -1 -1 1 1 -24.89 10.21 10.91 10.98
12 32 1 33 -1 -1 1 -29.46 -1.06 -1.33 -1.23
13 25 26 88 -1 -1 1 -32.71 -5.43 -6.44 -6.35
14 47 1 18 13 -1 -3 1 1 -36.32 -4.97 -5.36 -5.30
15 34 1 11 -1 -3 2 -39.43 -5.22 -5.25 -5.39
16 8 45 97 22 -1 -2 1 2 -48.52 2.38 1.74 2.09
17 25 1 26 -1 -1 1 -49.20 -2.81 -3.00 -3.05
18 56 1 21 13 -1 -3 1 2 -61.67 -2.86 -2.77 -2.71
19 30 1 13 8 -1 -3 1 1 -65.15 -4.05 -4.12 -4.24
20 73 1 39 13 -1 -1 1 1 -68.90 2.49 2.57 2.53
21 68 1 34 13 -1 -1 1 1 -81.21 7.05 7.14 7.16
22 26 6 82 -1 -1 1 -109.11 -8.23 -8.87 -8.77
23 1 39 14 -1 -1 2 -135.40 0.34 0.34 0.35
24 25 94 -3 1 -154.04 -10.50 -11.91 -13.01
25 23 39 24 -1 -1 2 -216.11 4.78 4.80 5.08
MD -1.50 -1.65 -1.60
MAD 3.98 4.23 4.28
RMSD 4.87 5.24 5.34