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ACONF 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 B_T B_G -1 1 0.598 0.23 0.04 0.00
2 P_TT P_TG -1 1 0.614 0.21 -0.01 -0.05
3 P_TT P_GG -1 1 0.961 0.53 -0.08 -0.14
4 P_TT P_GX -1 1 2.813 0.53 -0.02 -0.09
5 H_ttt H_gtt -1 1 0.595 0.22 -0.02 -0.06
6 H_ttt H_tgt -1 1 0.604 0.25 0.01 -0.03
7 H_ttt H_tgg -1 1 0.934 0.69 -0.01 -0.08
8 H_ttt H_gtg -1 1 1.178 0.50 0.00 -0.08
9 H_ttt H_g+t+g- -1 1 1.302 0.40 -0.03 -0.13
10 H_ttt H_ggg -1 1 1.250 1.11 -0.00 -0.07
11 H_ttt H_g+x-t+ -1 1 2.632 0.64 -0.02 -0.09
12 H_ttt H_t+g+x- -1 1 2.740 0.59 -0.04 -0.11
13 H_ttt H_g+x-g- -1 1 3.283 0.72 -0.11 -0.21
14 H_ttt H_x+g-g- -1 1 3.083 1.07 -0.08 -0.17
15 H_ttt H_x+g-x+ -1 1 4.925 1.11 -0.03 -0.14
MD 0.59 -0.03 -0.10
MAD 0.59 0.03 0.10
RMSD 0.66 0.04 0.11