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BHPERI results

Density functional: M062X

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)
1 Cyclobutene TS1 -1 1 35.3 1.36 1.36
2 cis-1,3,5-Hexatriene TS2 -1 1 30.8 -0.25 -0.23
3 ortho-xylylene TS3 -1 1 28.1 1.76 1.78
4 1,3-Pentadiene TS4 -1 1 39.7 -0.38 -0.36
5 1,3-Cyclopentadiene TS5 -1 1 28.3 -3.05 -3.04
6 1,5-Hexadiene TS6 -1 1 35.8 -0.49 -0.45
7 1,3-Butadiene Ethylene TS7 -1 -1 1 22.3 -1.39 -1.50
8 1,3-Cyclopentadiene Ethylene TS8 -1 -1 1 18.0 -0.31 -0.44
9 1,3-Cyclopentadiene TS11 -2 1 14.5 1.46 1.14
10 Cis-triscyclopropacyclohexane TS9 -1 1 26.4 4.22 4.20
11 13r_1 13_c2h4 13ts_1a -1 -1 1 27.6 2.41 2.39
12 13r_2 13_c2h4 13ts_2a -1 -1 1 20.0 2.24 2.21
13 13r_3 13_c2h4 13ts_3a -1 -1 1 13.8 2.42 2.37
14 13r_4 13_c2h4 13ts_4a -1 -1 1 11.8 4.44 4.40
15 13r_5 13_c2h4 13ts_5a -1 -1 1 6.5 1.84 1.79
16 13r_6 13_c2h4 13ts_6a -1 -1 1 4.7 1.66 1.59
17 13r_7 13_c2h4 13ts_7a -1 -1 1 13.1 -0.17 -0.22
18 13r_8 13_c2h4 13ts_8a -1 -1 1 5.9 -0.57 -0.63
19 13r_9 13_c2h4 13ts_9a -1 -1 1 0.5 -0.73 -0.82
20 02r 00r 02ts -1 -1 1 18.1 -0.30 -0.42
21 03r 00r 03ts -1 -1 1 16.6 -0.39 -0.53
22 04r 00r 04ts -1 -1 1 22.9 0.18 0.08
23 05r 00r 06ts -1 -1 1 27.8 1.45 1.35
24 07r 00r 07ts -1 -1 1 21.3 0.62 0.50
25 07r 00r 08ts -1 -1 1 21.6 0.25 0.15
26 09r 00r 09ts -1 -1 1 31.3 1.15 1.05
MD 0.75 0.68
MAD 1.36 1.35
RMSD 1.80 1.78