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ACONF results

Density functional: MPWKCIS1K

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 0.33 0.12 0.05
2 P_TT P_TG -1 1 0.614 0.36 0.12 0.04
3 P_TT P_GG -1 1 0.961 0.84 0.12 0.02
4 P_TT P_GX -1 1 2.813 0.88 0.25 0.14
5 H_ttt H_gtt -1 1 0.595 0.36 0.10 0.02
6 H_ttt H_tgt -1 1 0.604 0.41 0.15 0.07
7 H_ttt H_tgg -1 1 0.934 1.01 0.20 0.09
8 H_ttt H_gtg -1 1 1.178 0.79 0.23 0.09
9 H_ttt H_g+t+g- -1 1 1.302 0.67 0.21 0.04
10 H_ttt H_ggg -1 1 1.250 1.59 0.28 0.17
11 H_ttt H_g+x-t+ -1 1 2.632 0.99 0.25 0.14
12 H_ttt H_t+g+x- -1 1 2.740 0.95 0.25 0.14
13 H_ttt H_g+x-g- -1 1 3.283 1.27 0.36 0.17
14 H_ttt H_x+g-g- -1 1 3.083 1.56 0.26 0.12
15 H_ttt H_x+g-x+ -1 1 4.925 1.66 0.37 0.20
MD 0.91 0.22 0.10
MAD 0.91 0.22 0.10
RMSD 1.01 0.23 0.12