GMTKN55 INV24
-------------
References
^^^^^^^^^^
| GMTKN55: https://www.chemie.uni-bonn.de/grimme/de/software/gmtkn/gmtkn55
| L. Goerigk, A. Hansen. C. A. Bauer, S. Ehrlich, A. Najibi and S. Grimme in Phys. Chem. Chem. Phys., 2017: https://doi.org/10.1039/C7CP04913G

Molecules
^^^^^^^^^
H2O
PCl3_TS
H2S
Thioether
PMe3_TS
Tetrabenzopyracylene
Sumanene
BN_Corannulene_TS
BN_Corannulene
Pentahelicene
Corannulene
BN_Sumanene
Triindenotriphenylene
Hexahelicene_TS
Tetrahelicene
SO2
Dibenzocycloheptene_TS
Tetrahelicene_TS
PH2Ph_TS
NCl3_TS
PPh3_TS
Dibenzocarbazole
NMe3_TS
PCl3
Ether_TS
PMe3
Pentahelicene_TS
Ether
H2O_TS
Dibenzocycloheptene
NMe3
NCl3
H2S_TS
Hexahelicene
Tetrabenzopyracylene_TS
Thioether_TS
PPh3
SO2_TS
Triazasumanene
Dibenzocarbazole_TS
Methinecyanine
Corannulene_TS
Sumanene_TS
PH2Ph
Triazasumanene_TS
Methinecyanine_TS
Triindenotriphenylene_TS
BN_Sumanene_TS

Reactions
^^^^^^^^^
| 1: H2O -> H2O_TS, energy = 0.050517165648
| 2: H2S -> H2S_TS, energy = 0.110436579792
| 3: SO2 -> SO2_TS, energy = 0.096572247264
| 4: Ether -> Ether_TS, energy = 0.05896325328
| 5: Thioether -> Thioether_TS, energy = 0.11824522684800001
| 6: NMe3 -> NMe3_TS, energy = 0.015457933968
| 7: NCl3 -> NCl3_TS, energy = 0.030119067216
| 8: PMe3 -> PMe3_TS, energy = 0.068843582208
| 9: PCl3 -> PCl3_TS, energy = 0.12701003476800002
| 10: PH2Ph -> PH2Ph_TS, energy = 0.049720364928
| 11: PPh3 -> PPh3_TS, energy = 0.046692522192
| 12: Dibenzocycloheptene -> Dibenzocycloheptene_TS, energy = 0.016414094832
| 13: Tetrahelicene -> Tetrahelicene_TS, energy = 0.00717120648
| 14: Pentahelicene -> Pentahelicene_TS, energy = 0.039361955568
| 15: Hexahelicene -> Hexahelicene_TS, energy = 0.059919414144000004
| 16: Dibenzocarbazole -> Dibenzocarbazole_TS, energy = 0.006533765903999999
| 17: Methinecyanine -> Methinecyanine_TS, energy = 0.020876178864
| 18: Corannulene -> Corannulene_TS, energy = 0.017848336128
| 19: BN_Corannulene -> BN_Corannulene_TS, energy = 0.009880328928
| 20: Sumanene -> Sumanene_TS, energy = 0.033943710672
| 21: Triazasumanene -> Triazasumanene_TS, energy = 0.067409340912
| 22: BN_Sumanene -> BN_Sumanene_TS, energy = 0.043345959168
| 23: Tetrabenzopyracylene -> Tetrabenzopyracylene_TS, energy = 0.013386252096000001
| 24: Triindenotriphenylene -> Triindenotriphenylene_TS, energy = 0.10932105878399999