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INV24 results

Density functional: M11L

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 H2O H2O_TS -1 1 31.7 2.20 2.19
2 H2S H2S_TS -1 1 69.3 0.65 0.61
3 SO2 SO2_TS -1 1 60.6 4.58 4.55
4 Ether Ether_TS -1 1 37.0 -1.09 -0.72
5 Thioether Thioether_TS -1 1 74.2 1.09 1.51
6 NMe3 NMe3_TS -1 1 9.7 -0.59 -0.30
7 NCl3 NCl3_TS -1 1 18.9 6.84 6.78
8 PMe3 PMe3_TS -1 1 43.2 -1.43 -0.78
9 PCl3 PCl3_TS -1 1 79.7 -11.84 -12.06
10 PH2Ph PH2Ph_TS -1 1 31.2 -2.57 -2.55
11 PPh3 PPh3_TS -1 1 29.3 -7.17 -6.74
12 Dibenzocycloheptene Dibenzocycloheptene_TS -1 1 10.3 -1.19 -0.83
13 Tetrahelicene Tetrahelicene_TS -1 1 4.5 0.76 0.93
14 Pentahelicene Pentahelicene_TS -1 1 24.7 0.17 0.67
15 Hexahelicene Hexahelicene_TS -1 1 37.6 -0.95 -0.33
16 Dibenzocarbazole Dibenzocarbazole_TS -1 1 4.1 0.19 0.49
17 Methinecyanine Methinecyanine_TS -1 1 13.1 -1.56 -0.36
18 Corannulene Corannulene_TS -1 1 11.2 -0.70 -0.07
19 BN_Corannulene BN_Corannulene_TS -1 1 6.2 -1.39 -0.98
20 Sumanene Sumanene_TS -1 1 21.3 -0.57 0.27
21 Triazasumanene Triazasumanene_TS -1 1 42.3 2.69 3.60
22 BN_Sumanene BN_Sumanene_TS -1 1 27.2 -1.09 -0.29
23 Tetrabenzopyracylene Tetrabenzopyracylene_TS -1 1 8.4 -0.97 -0.25
24 Triindenotriphenylene Triindenotriphenylene_TS -1 1 68.6 -0.53 1.21
MD -0.60 -0.14
MAD 2.20 2.04
RMSD 3.50 3.48