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BHPERI results

Density functional: VV10

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 -5.03
2 cis-1,3,5-Hexatriene TS2 -1 1 30.8 -4.75
3 ortho-xylylene TS3 -1 1 28.1 -2.90
4 1,3-Pentadiene TS4 -1 1 39.7 -6.44
5 1,3-Cyclopentadiene TS5 -1 1 28.3 -3.55
6 1,5-Hexadiene TS6 -1 1 35.8 -7.64
7 1,3-Butadiene Ethylene TS7 -1 -1 1 22.3 -6.97
8 1,3-Cyclopentadiene Ethylene TS8 -1 -1 1 18.0 -4.56
9 1,3-Cyclopentadiene TS11 -2 1 14.5 -5.01
10 Cis-triscyclopropacyclohexane TS9 -1 1 26.4 -7.63
11 13r_1 13_c2h4 13ts_1a -1 -1 1 27.6 -7.95
12 13r_2 13_c2h4 13ts_2a -1 -1 1 20.0 -6.56
13 13r_3 13_c2h4 13ts_3a -1 -1 1 13.8 -4.03
14 13r_4 13_c2h4 13ts_4a -1 -1 1 11.8 -5.54
15 13r_5 13_c2h4 13ts_5a -1 -1 1 6.5 -3.98
16 13r_6 13_c2h4 13ts_6a -1 -1 1 4.7 -2.89
17 13r_7 13_c2h4 13ts_7a -1 -1 1 13.1 -4.80
18 13r_8 13_c2h4 13ts_8a -1 -1 1 5.9 -3.56
19 13r_9 13_c2h4 13ts_9a -1 -1 1 0.5 -2.92
20 02r 00r 02ts -1 -1 1 18.1 -4.69
21 03r 00r 03ts -1 -1 1 16.6 -5.22
22 04r 00r 04ts -1 -1 1 22.9 -3.18
23 05r 00r 06ts -1 -1 1 27.8 -2.32
24 07r 00r 07ts -1 -1 1 21.3 -3.57
25 07r 00r 08ts -1 -1 1 21.6 -3.89
26 09r 00r 09ts -1 -1 1 31.3 -2.82
MD -4.71
MAD 4.71
RMSD 4.98