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ACONF results

Density functional: PBE

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 0.22 0.05 0.01
2 P_TT P_TG -1 1 0.614 0.23 0.04 0.00
3 P_TT P_GG -1 1 0.961 0.71 0.20 0.10
4 P_TT P_GX -1 1 2.813 0.50 0.04 -0.06
5 H_ttt H_gtt -1 1 0.595 0.24 0.03 -0.01
6 H_ttt H_tgt -1 1 0.604 0.26 0.04 0.00
7 H_ttt H_tgg -1 1 0.934 0.79 0.20 0.10
8 H_ttt H_gtg -1 1 1.178 0.55 0.12 0.03
9 H_ttt H_g+t+g- -1 1 1.302 0.42 0.03 -0.05
10 H_ttt H_ggg -1 1 1.250 1.27 0.38 0.21
11 H_ttt H_g+x-t+ -1 1 2.632 0.59 0.03 -0.07
12 H_ttt H_t+g+x- -1 1 2.740 0.55 0.03 -0.08
13 H_ttt H_g+x-g- -1 1 3.283 0.76 0.06 -0.08
14 H_ttt H_x+g-g- -1 1 3.083 1.04 0.07 -0.07
15 H_ttt H_x+g-x+ -1 1 4.925 0.95 -0.00 -0.17
MD 0.61 0.09 -0.01
MAD 0.61 0.09 0.07
RMSD 0.68 0.13 0.09