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ACONF results

Density functional: MPWB1K

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 0.13 0.02 0.01
2 P_TT P_TG -1 1 0.614 -0.00 -0.14 -0.14
3 P_TT P_GG -1 1 0.961 0.19 -0.21 -0.17
4 P_TT P_GX -1 1 2.813 0.14 -0.20 -0.21
5 H_ttt H_gtt -1 1 0.595 -0.06 -0.21 -0.22
6 H_ttt H_tgt -1 1 0.604 -0.00 -0.15 -0.16
7 H_ttt H_tgg -1 1 0.934 0.15 -0.30 -0.27
8 H_ttt H_gtg -1 1 1.178 0.14 -0.17 -0.18
9 H_ttt H_g+t+g- -1 1 1.302 0.08 -0.17 -0.20
10 H_ttt H_ggg -1 1 1.250 0.14 -0.59 -0.50
11 H_ttt H_g+x-t+ -1 1 2.632 0.12 -0.29 -0.30
12 H_ttt H_t+g+x- -1 1 2.740 0.03 -0.36 -0.37
13 H_ttt H_g+x-g- -1 1 3.283 0.10 -0.40 -0.43
14 H_ttt H_x+g-g- -1 1 3.083 0.29 -0.44 -0.40
15 H_ttt H_x+g-x+ -1 1 4.925 0.17 -0.53 -0.53
MD 0.11 -0.28 -0.27
MAD 0.12 0.28 0.27
RMSD 0.14 0.32 0.31