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ACONF results

Density functional: PWPB95

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 0.09 0.01 0.01
2 P_TT P_TG -1 1 0.614 -0.09 -0.18 -0.18
3 P_TT P_GG -1 1 0.961 0.10 -0.19 -0.14
4 P_TT P_GX -1 1 2.813 -0.02 -0.27 -0.24
5 H_ttt H_gtt -1 1 0.595 -0.13 -0.24 -0.24
6 H_ttt H_tgt -1 1 0.604 -0.07 -0.18 -0.17
7 H_ttt H_tgg -1 1 0.934 0.04 -0.29 -0.24
8 H_ttt H_gtg -1 1 1.178 0.04 -0.19 -0.17
9 H_ttt H_g+t+g- -1 1 1.302 -0.02 -0.21 -0.21
10 H_ttt H_ggg -1 1 1.250 0.05 -0.48 -0.37
11 H_ttt H_g+x-t+ -1 1 2.632 -0.01 -0.31 -0.29
12 H_ttt H_t+g+x- -1 1 2.740 -0.11 -0.40 -0.37
13 H_ttt H_g+x-g- -1 1 3.283 -0.04 -0.41 -0.39
14 H_ttt H_x+g-g- -1 1 3.083 0.12 -0.41 -0.34
15 H_ttt H_x+g-x+ -1 1 4.925 0.01 -0.51 -0.46
MD 0.00 -0.29 -0.25
MAD 0.06 0.29 0.25
RMSD 0.07 0.32 0.28