back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to SCONF main page   back to revTPSSh main page

SCONF results

Density functional: revTPSSh

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 C1 C2 -1 1 0.86 0.04 -0.08 -0.06
2 C1 C3 -1 1 2.28 0.40 0.91 0.92
3 C1 C4 -1 1 3.08 0.45 0.83 0.86
4 C1 C5 -1 1 4.60 0.24 0.71 0.69
5 C1 C6 -1 1 4.87 0.22 0.77 0.77
6 C1 C7 -1 1 4.16 0.73 0.93 0.92
7 C1 C8 -1 1 4.38 0.60 0.84 0.80
8 C1 C9 -1 1 6.19 -0.04 0.70 0.75
9 C1 C10 -1 1 6.18 0.40 1.20 1.11
10 C1 C11 -1 1 5.65 0.32 0.86 0.75
11 C1 C12 -1 1 5.59 0.47 1.00 0.90
12 C1 C13 -1 1 5.93 0.88 1.04 1.14
13 C1 C14 -1 1 6.31 0.15 0.87 0.70
14 C1 C15 -1 1 6.22 0.25 0.79 0.66
15 G1 G2 -1 1 0.20 0.05 -0.06 -0.07
16 G1 G3 -1 1 6.16 -0.37 -2.23 -2.10
17 G1 G4 -1 1 5.54 -0.47 -2.19 -2.26
MD 0.25 0.40 0.38
MAD 0.36 0.94 0.91
RMSD 0.43 1.09 1.06