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BHPERI results

Density functional: B3LYP-NL

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. VV10
1 Cyclobutene TS1 -1 1 35.3 -2.00
2 cis-1,3,5-Hexatriene TS2 -1 1 30.8 -1.96
3 ortho-xylylene TS3 -1 1 28.1 -0.68
4 1,3-Pentadiene TS4 -1 1 39.7 -2.84
5 1,3-Cyclopentadiene TS5 -1 1 28.3 -1.80
6 1,5-Hexadiene TS6 -1 1 35.8 -3.10
7 1,3-Butadiene Ethylene TS7 -1 -1 1 22.3 -2.76
8 1,3-Cyclopentadiene Ethylene TS8 -1 -1 1 18.0 -1.45
9 1,3-Cyclopentadiene TS11 -2 1 14.5 -1.68
10 Cis-triscyclopropacyclohexane TS9 -1 1 26.4 -3.92
11 13r_1 13_c2h4 13ts_1a -1 -1 1 27.6 -4.00
12 13r_2 13_c2h4 13ts_2a -1 -1 1 20.0 -2.87
13 13r_3 13_c2h4 13ts_3a -1 -1 1 13.8 -0.53
14 13r_4 13_c2h4 13ts_4a -1 -1 1 11.8 -1.01
15 13r_5 13_c2h4 13ts_5a -1 -1 1 6.5 -0.91
16 13r_6 13_c2h4 13ts_6a -1 -1 1 4.7 0.25
17 13r_7 13_c2h4 13ts_7a -1 -1 1 13.1 -2.16
18 13r_8 13_c2h4 13ts_8a -1 -1 1 5.9 -1.15
19 13r_9 13_c2h4 13ts_9a -1 -1 1 0.5 -0.74
20 02r 00r 02ts -1 -1 1 18.1 -1.49
21 03r 00r 03ts -1 -1 1 16.6 -1.61
22 04r 00r 04ts -1 -1 1 22.9 -0.73
23 05r 00r 06ts -1 -1 1 27.8 0.32
24 07r 00r 07ts -1 -1 1 21.3 -0.39
25 07r 00r 08ts -1 -1 1 21.6 -0.71
26 09r 00r 09ts -1 -1 1 31.3 0.10
MD -1.53
MAD 1.58
RMSD 1.92