GMTKN55 HEAVY28
References
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 h2s pbh4_hbr teh2_2 pbh4_bih3 sbh3_hi teh2_nh3 sbh3 teh2_hi pbh4_2 bih3_h2s teh2_hbr bih3_h2o bih3 sbh3_h2s sbh3_h2o teh2_hcl pbh4_hcl sbh3_hbr sbh3_2 teh2 sbh3_nh3 bih3_hcl hcl pbh4_hi bih3_hi hi hbr pbh4_teh2 pbh4 pbh4_h2o nh3 bih3_2 bih3_nh3 sbh3_hcl teh2_h2o bih3_hbr teh2_h2s
Reactions
1: bih3_2 -> 2bih3, energy = 0.0018485776704
2: bih3_h2o -> bih3 + h2o, energy = 0.0039680675856
3: bih3_h2s -> bih3 + h2s, energy = 0.0021672979584000003
4: bih3_hcl -> bih3 + hcl, energy = 0.0012270731088
5: bih3_hbr -> bih3 + hbr, energy = 0.0015617294112
6: bih3_hi -> bih3 + hi, energy = 0.002071681872
7: bih3_nh3 -> bih3 + nh3, energy = 0.000956160864
8: pbh4_2 -> 2pbh4, energy = 0.0019920018
9: pbh4_bih3 -> pbh4 + bih3, energy = 0.0008764807920000001
10: pbh4_h2o -> pbh4 + h2o, energy = 0.0005736965184
11: pbh4_hcl -> pbh4 + hcl, energy = 0.00119520108
12: pbh4_hbr -> pbh4 + hbr, energy = 0.0014820493392000002
13: pbh4_hi -> pbh4 + hi, energy = 0.0018804496992
14: pbh4_teh2 -> pbh4 + teh2, energy = 0.001035840936
15: sbh3_2 -> 2sbh3, energy = 0.0020398098432
16: sbh3_h2o -> sbh3 + h2o, energy = 0.0025019542608000003
17: sbh3_h2s -> sbh3 + h2s, energy = 0.0016892175264000002
18: sbh3_hcl -> sbh3 + hcl, energy = 0.0032190749088000003
19: sbh3_hbr -> sbh3 + hbr, energy = 0.0030119067215999998
20: sbh3_hi -> sbh3 + hi, energy = 0.0023744661456
21: sbh3_nh3 -> sbh3 + nh3, energy = 0.0045258280896
22: teh2_2 -> 2teh2, energy = 0.0008286727488
23: teh2_h2o -> teh2 + h2o, energy = 0.0010836489792000002
24: teh2_h2s -> teh2 + h2s, energy = 0.0007649286912
25: teh2_hcl -> teh2 + hcl, energy = 0.0019601297712
26: teh2_hbr -> teh2 + hbr, energy = 0.0019441937568
27: teh2_hi -> teh2 + hi, energy = 0.001274881152
28: teh2_nh3 -> teh2 + nh3, energy = 0.005338564824