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ACONF results

Density functional: X3LYP

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 0.11 0.03
2 P_TT P_TG -1 1 0.614 0.26 0.03 -0.06
3 P_TT P_GG -1 1 0.961 0.92 0.19 0.07
4 P_TT P_GX -1 1 2.813 0.73 0.07 -0.05
5 H_ttt H_gtt -1 1 0.595 0.24 -0.01 -0.10
6 H_ttt H_tgt -1 1 0.604 0.30 0.04 -0.06
7 H_ttt H_tgg -1 1 0.934 0.99 0.18 0.04
8 H_ttt H_gtg -1 1 1.178 0.70 0.15 -0.01
9 H_ttt H_g+t+g- -1 1 1.302 0.55 0.10 -0.10
10 H_ttt H_ggg -1 1 1.250 1.61 0.30 0.13
11 H_ttt H_g+x-t+ -1 1 2.632 0.83 0.07 -0.06
12 H_ttt H_t+g+x- -1 1 2.740 0.72 0.00 -0.13
13 H_ttt H_g+x-g- -1 1 3.283 1.10 0.18 -0.05
14 H_ttt H_x+g-g- -1 1 3.083 1.41 0.06 -0.10
15 H_ttt H_x+g-x+ -1 1 4.925 1.35 0.05 -0.18
MD 0.80 0.10 -0.04
MAD 0.80 0.10 0.08
RMSD 0.90 0.13 0.09