back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to G2RC main page   back to HCTH main page

G2RC results

Density functional: HCTH

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 -1.63 0.93 5.03
2 40 1 104 -1 -1 1 -2.26 5.46 4.66 3.37
3 113 30 8 -1 1 1 -2.18 4.07 5.62 8.88
4 52 1 18 -1 -1 2 -4.10 1.00 1.83 13.56
5 30 13 40 1 -1 -1 1 1 -7.10 -11.94 -12.11 -13.11
6 128 13 126 22 -1 -1 1 1 -10.70 1.18 1.36 4.20
7 100 13 106 -1 -1 1 -19.47 -2.66 -4.82 -7.61
8 25 14 121 -1 -1 1 -26.97 -2.41 -3.35 -5.33
9 39 45 51 -1 -1 2 -27.30 -1.04 -1.02 3.66
10 58 59 57 60 -1 -1 1 1 -27.15 4.42 3.51 -9.41
11 67 61 66 62 -1 -1 1 1 -24.89 8.26 9.99 26.60
12 32 1 33 -1 -1 1 -29.46 4.04 3.35 2.45
13 25 26 88 -1 -1 1 -32.71 0.45 -1.98 -7.78
14 47 1 18 13 -1 -3 1 1 -36.32 2.78 1.82 -0.69
15 34 1 11 -1 -3 2 -39.43 -0.27 -0.34 -2.03
16 8 45 97 22 -1 -2 1 2 -48.52 2.73 1.15 5.14
17 25 1 26 -1 -1 1 -49.20 0.14 -0.34 -2.33
18 56 1 21 13 -1 -3 1 2 -61.67 7.37 7.58 10.23
19 30 1 13 8 -1 -3 1 1 -65.15 0.07 -0.09 -1.81
20 73 1 39 13 -1 -1 1 1 -68.90 8.09 8.28 8.46
21 68 1 34 13 -1 -1 1 1 -81.21 20.64 20.86 21.89
22 26 6 82 -1 -1 1 -109.11 -5.11 -6.67 -10.25
23 1 39 14 -1 -1 2 -135.40 4.38 4.39 4.51
24 25 94 -3 1 -154.04 -0.16 -3.46 -21.17
25 23 39 24 -1 -1 2 -216.11 9.42 9.47 12.31
MD 2.37 2.02 1.95
MAD 4.39 4.76 8.47
RMSD 6.35 6.63 10.72