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G2RC results

Density functional: MPWKCIS1K

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 -3.19 -1.45 -0.86
2 40 1 104 -1 -1 1 -2.26 -3.28 -3.80 -3.83
3 113 30 8 -1 1 1 -2.18 5.24 6.25 6.62
4 52 1 18 -1 -1 2 -4.10 0.67 1.27 4.52
5 30 13 40 1 -1 -1 1 1 -7.10 -2.12 -2.23 -2.42
6 128 13 126 22 -1 -1 1 1 -10.70 -1.41 -1.31 -0.27
7 100 13 106 -1 -1 1 -19.47 -5.77 -7.20 -7.30
8 25 14 121 -1 -1 1 -26.97 -4.75 -5.36 -5.53
9 39 45 51 -1 -1 2 -27.30 -1.50 -1.49 -0.47
10 58 59 57 60 -1 -1 1 1 -27.15 -2.57 -3.15 -4.43
11 67 61 66 62 -1 -1 1 1 -24.89 11.03 12.13 13.93
12 32 1 33 -1 -1 1 -29.46 -5.25 -5.68 -5.69
13 25 26 88 -1 -1 1 -32.71 -7.32 -8.91 -9.83
14 47 1 18 13 -1 -3 1 1 -36.32 -13.01 -13.62 -13.89
15 34 1 11 -1 -3 2 -39.43 -17.06 -17.11 -17.49
16 8 45 97 22 -1 -2 1 2 -48.52 -1.27 -2.27 -1.73
17 25 1 26 -1 -1 1 -49.20 -6.62 -6.93 -7.26
18 56 1 21 13 -1 -3 1 2 -61.67 -18.31 -18.17 -17.73
19 30 1 13 8 -1 -3 1 1 -65.15 -14.93 -15.04 -15.40
20 73 1 39 13 -1 -1 1 1 -68.90 -3.98 -3.86 -3.88
21 68 1 34 13 -1 -1 1 1 -81.21 0.90 1.04 1.23
22 26 6 82 -1 -1 1 -109.11 -8.96 -9.97 -10.44
23 1 39 14 -1 -1 2 -135.40 -6.86 -6.86 -6.83
24 25 94 -3 1 -154.04 -16.04 -18.28 -22.81
25 23 39 24 -1 -1 2 -216.11 1.53 1.56 2.93
MD -4.99 -5.22 -5.15
MAD 6.54 7.00 7.49
RMSD 8.46 8.95 9.63