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ACONF results

Density functional: ωB97X-V

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. ωB97X-V
1 B_T B_G -1 1 0.598 0.05
2 P_TT P_TG -1 1 0.614 0.02
3 P_TT P_GG -1 1 0.961 0.04
4 P_TT P_GX -1 1 2.813 -0.01
5 H_ttt H_gtt -1 1 0.595 0.00
6 H_ttt H_tgt -1 1 0.604 0.02
7 H_ttt H_tgg -1 1 0.934 0.04
8 H_ttt H_gtg -1 1 1.178 0.04
9 H_ttt H_g+t+g- -1 1 1.302 0.01
10 H_ttt H_ggg -1 1 1.250 0.09
11 H_ttt H_g+x-t+ -1 1 2.632 -0.01
12 H_ttt H_t+g+x- -1 1 2.740 -0.02
13 H_ttt H_g+x-g- -1 1 3.283 -0.00
14 H_ttt H_x+g-g- -1 1 3.083 -0.01
15 H_ttt H_x+g-x+ -1 1 4.925 -0.02
MD 0.02
MAD 0.03
RMSD 0.03