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ACONF results

Density functional: OLYP

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 0.75 0.12 0.06
2 P_TT P_TG -1 1 0.614 0.83 0.13 0.07
3 P_TT P_GG -1 1 0.961 2.16 0.26 0.12
4 P_TT P_GX -1 1 2.813 1.86 0.13 0.08
5 H_ttt H_gtt -1 1 0.595 0.81 0.07 0.00
6 H_ttt H_tgt -1 1 0.604 0.85 0.07 0.01
7 H_ttt H_tgg -1 1 0.934 2.29 0.19 0.05
8 H_ttt H_gtg -1 1 1.178 1.70 0.16 0.02
9 H_ttt H_g+t+g- -1 1 1.302 1.53 0.15 0.02
10 H_ttt H_ggg -1 1 1.250 3.63 0.28 0.08
11 H_ttt H_g+x-t+ -1 1 2.632 2.00 0.03 -0.03
12 H_ttt H_t+g+x- -1 1 2.740 1.90 -0.00 -0.05
13 H_ttt H_g+x-g- -1 1 3.283 2.66 0.09 -0.02
14 H_ttt H_x+g-g- -1 1 3.083 3.39 0.07 -0.01
15 H_ttt H_x+g-x+ -1 1 4.925 3.42 -0.02 -0.05
MD 1.98 0.11 0.02
MAD 1.98 0.12 0.04
RMSD 2.19 0.14 0.05