back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to ACONF main page   back to TPSS1KCIS main page

ACONF results

Density functional: TPSS1KCIS

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 B_T B_G -1 1 0.598 0.30 0.08 -0.01
2 P_TT P_TG -1 1 0.614 0.30 0.05 -0.04
3 P_TT P_GG -1 1 0.961 0.80 0.03 -0.10
4 P_TT P_GX -1 1 2.813 0.71 0.05 -0.09
5 H_ttt H_gtt -1 1 0.595 0.32 0.05 -0.05
6 H_ttt H_tgt -1 1 0.604 0.36 0.08 -0.01
7 H_ttt H_tgg -1 1 0.934 0.98 0.13 -0.01
8 H_ttt H_gtg -1 1 1.178 0.71 0.13 -0.04
9 H_ttt H_g+t+g- -1 1 1.302 0.56 0.09 -0.13
10 H_ttt H_ggg -1 1 1.250 1.58 0.18 0.04
11 H_ttt H_g+x-t+ -1 1 2.632 0.85 0.09 -0.05
12 H_ttt H_t+g+x- -1 1 2.740 0.79 0.06 -0.08
13 H_ttt H_g+x-g- -1 1 3.283 1.05 0.11 -0.13
14 H_ttt H_x+g-g- -1 1 3.083 1.40 0.02 -0.13
15 H_ttt H_x+g-x+ -1 1 4.925 1.39 0.05 -0.15
MD 0.81 0.08 -0.07
MAD 0.81 0.08 0.07
RMSD 0.90 0.09 0.09