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INV24 results

Density functional: MN15

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(BJ)
1 H2O H2O_TS -1 1 31.7 -4.66 -4.66
2 H2S H2S_TS -1 1 69.3 -3.65 -3.65
3 SO2 SO2_TS -1 1 60.6 8.14 8.14
4 Ether Ether_TS -1 1 37.0 -5.51 -5.51
5 Thioether Thioether_TS -1 1 74.2 -2.63 -2.63
6 NMe3 NMe3_TS -1 1 9.7 -1.94 -1.94
7 NCl3 NCl3_TS -1 1 18.9 -7.04 -7.04
8 PMe3 PMe3_TS -1 1 43.2 -2.76 -2.76
9 PCl3 PCl3_TS -1 1 79.7 7.01 7.01
10 PH2Ph PH2Ph_TS -1 1 31.2 -2.86 -2.86
11 PPh3 PPh3_TS -1 1 29.3 -4.63 -4.63
12 Dibenzocycloheptene Dibenzocycloheptene_TS -1 1 10.3 -0.14 -0.14
13 Tetrahelicene Tetrahelicene_TS -1 1 4.5 0.32 0.32
14 Pentahelicene Pentahelicene_TS -1 1 24.7 0.28 0.28
15 Hexahelicene Hexahelicene_TS -1 1 37.6 -0.11 -0.10
16 Dibenzocarbazole Dibenzocarbazole_TS -1 1 4.1 0.51 0.51
17 Methinecyanine Methinecyanine_TS -1 1 13.1 -0.29 -0.29
18 Corannulene Corannulene_TS -1 1 11.2 -1.52 -1.51
19 BN_Corannulene BN_Corannulene_TS -1 1 6.2 -0.82 -0.81
20 Sumanene Sumanene_TS -1 1 21.3 -2.07 -2.06
21 Triazasumanene Triazasumanene_TS -1 1 42.3 -2.09 -2.09
22 BN_Sumanene BN_Sumanene_TS -1 1 27.2 -1.24 -1.24
23 Tetrabenzopyracylene Tetrabenzopyracylene_TS -1 1 8.4 -1.24 -1.24
24 Triindenotriphenylene Triindenotriphenylene_TS -1 1 68.6 -2.91 -2.89
MD -1.33 -1.32
MAD 2.68 2.68
RMSD 3.55 3.55