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G2RC results

Density functional: B3LYP-NL

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. VV10
1 118 117 13 -1 1 1 -2.23 3.30
2 40 1 104 -1 -1 1 -2.26 -0.30
3 113 30 8 -1 1 1 -2.18 4.30
4 52 1 18 -1 -1 2 -4.10 -0.88
5 30 13 40 1 -1 -1 1 1 -7.10 -5.77
6 128 13 126 22 -1 -1 1 1 -10.70 0.12
7 100 13 106 -1 -1 1 -19.47 -5.52
8 25 14 121 -1 -1 1 -26.97 -5.39
9 39 45 51 -1 -1 2 -27.30 -1.35
10 58 59 57 60 -1 -1 1 1 -27.15 -0.65
11 67 61 66 62 -1 -1 1 1 -24.89 3.12
12 32 1 33 -1 -1 1 -29.46 0.33
13 25 26 88 -1 -1 1 -32.71 -0.37
14 47 1 18 13 -1 -3 1 1 -36.32 -0.88
15 34 1 11 -1 -3 2 -39.43 -3.77
16 8 45 97 22 -1 -2 1 2 -48.52 5.04
17 25 1 26 -1 -1 1 -49.20 -2.02
18 56 1 21 13 -1 -3 1 2 -61.67 1.72
19 30 1 13 8 -1 -3 1 1 -65.15 -1.73
20 73 1 39 13 -1 -1 1 1 -68.90 6.26
21 68 1 34 13 -1 -1 1 1 -81.21 8.66
22 26 6 82 -1 -1 1 -109.11 -0.55
23 1 39 14 -1 -1 2 -135.40 5.29
24 25 94 -3 1 -154.04 -8.16
25 23 39 24 -1 -1 2 -216.11 3.13
MD 0.16
MAD 3.14
RMSD 4.02