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ACONF results

Density functional: B1P86

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 0.27 0.04 0.03
2 P_TT P_TG -1 1 0.614 0.19 -0.06 -0.08
3 P_TT P_GG -1 1 0.961 0.70 0.00 -0.01
4 P_TT P_GX -1 1 2.813 0.62 -0.01 -0.05
5 H_ttt H_gtt -1 1 0.595 0.16 -0.11 -0.14
6 H_ttt H_tgt -1 1 0.604 0.22 -0.07 -0.09
7 H_ttt H_tgg -1 1 0.934 0.76 -0.03 -0.07
8 H_ttt H_gtg -1 1 1.178 0.54 -0.04 -0.07
9 H_ttt H_g+t+g- -1 1 1.302 0.41 -0.09 -0.15
10 H_ttt H_ggg -1 1 1.250 1.22 -0.02 -0.04
11 H_ttt H_g+x-t+ -1 1 2.632 0.68 -0.06 -0.12
12 H_ttt H_t+g+x- -1 1 2.740 0.59 -0.11 -0.17
13 H_ttt H_g+x-g- -1 1 3.283 0.86 -0.06 -0.16
14 H_ttt H_x+g-g- -1 1 3.083 1.18 -0.13 -0.17
15 H_ttt H_x+g-x+ -1 1 4.925 1.16 -0.12 -0.21
MD 0.64 -0.06 -0.10
MAD 0.64 0.06 0.10
RMSD 0.72 0.08 0.12