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ACONF results

Density functional: BHLYP

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 0.31 0.11 0.05
2 P_TT P_TG -1 1 0.614 0.33 0.11 0.05
3 P_TT P_GG -1 1 0.961 0.88 0.23 0.13
4 P_TT P_GX -1 1 2.813 0.83 0.24 0.14
5 H_ttt H_gtt -1 1 0.595 0.35 0.11 0.04
6 H_ttt H_tgt -1 1 0.604 0.37 0.13 0.06
7 H_ttt H_tgg -1 1 0.934 0.98 0.24 0.14
8 H_ttt H_gtg -1 1 1.178 0.74 0.22 0.11
9 H_ttt H_g+t+g- -1 1 1.302 0.65 0.21 0.07
10 H_ttt H_ggg -1 1 1.250 1.55 0.35 0.24
11 H_ttt H_g+x-t+ -1 1 2.632 0.95 0.25 0.16
12 H_ttt H_t+g+x- -1 1 2.740 0.90 0.24 0.15
13 H_ttt H_g+x-g- -1 1 3.283 1.25 0.38 0.23
14 H_ttt H_x+g-g- -1 1 3.083 1.50 0.29 0.17
15 H_ttt H_x+g-x+ -1 1 4.925 1.57 0.37 0.22
MD 0.88 0.23 0.13
MAD 0.88 0.23 0.13
RMSD 0.98 0.25 0.15