GMTKN55 MB16-43
---------------
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
^^^^^^^^^
03
04
32
35
S2
34
33
05
P2
02
H2
MgH2
LiH
BH3
O2
F2
NaH
20
18
27
11
29
16
42
28
17
10
19
26
21
AlH3
43
07
38
36
09
31
CH4
30
37
08
01
06
39
N2
BeH2
41
Cl2
SiH4
24
23
15
12
40
13
14
22
25

Reactions
^^^^^^^^^
| 1: 201 + 4H2 -> 4BH3 + 2N2 + 2O2 + F2 + 2NaH + 2AlH3 + Cl2, energy = 1.385791190779824
| 2: 202 + 6H2 -> 2LiH + 4BH3 + O2 + F2 + 2MgH2 + 2SiH4 + 2S2, energy = 1.17573762881256
| 3: 203 + 13H2 -> 2LiH + 6CH4 + O2 + F2 + 2NaH + 2MgH2 + 2AlH3 + S2, energy = 0.826533498226944
| 4: 204 + 17H2 -> 6BH3 + 2CH4 + O2 + F2 + 2AlH3 + 4SiH4, energy = 0.568673646021264
| 5: 205 + 4H2 -> 4BH3 + 2N2 + 2SiH4 + 4P2 + Cl2, energy = 0.23534752274323198
| 6: 206 + 10H2 -> 6BH3 + 2CH4 + N2 + O2 + 2MgH2 + 2AlH3, energy = 0.587232728391504
| 7: 207 + 7H2 -> 2BH3 + 4CH4 + N2 + O2 + 2F2 + 2MgH2 + S2 + Cl2, energy = 0.8892034684563841
| 8: 208 + 17H2 -> 2BeH2 + 6BH3 + 4CH4 + 2O2 + 2F2 + 2AlH3, energy = 1.086772119302112
| 9: 209 + 6H2 -> 2LiH + 4BH3 + 2CH4 + F2 + 2SiH4 + Cl2, energy = 0.607847556619344
| 10: 210 + 14H2 -> 2BH3 + 6CH4 + N2 + F2 + 2MgH2 + 2SiH4 + Cl2, energy = 0.073795379962512
| 11: 211 + 12H2 -> 4BH3 + 4CH4 + N2 + O2 + F2 + 2MgH2 + 2AlH3, energy = 0.469165506824352
| 12: 212 + 11H2 -> 4BH3 + 2CH4 + 2N2 + O2 + F2 + 4AlH3 + P2 + Cl2, energy = 0.722004558333168
| 13: 213 + 5H2 -> 4CH4 + 4N2 + 2O2 + 2MgH2 + 2S2, energy = 0.031672987980144
| 14: 214 + 9H2 -> 2LiH + 4BH3 + O2 + 4AlH3 + 2SiH4 + Cl2, energy = 0.61336046144088
| 15: 215 + 15H2 -> 4BH3 + 2CH4 + 2NaH + 2AlH3 + 4SiH4 + S2 + Cl2, energy = 0.34437105613838404
| 16: 216 + 19H2 -> 2LiH + 6BH3 + O2 + 4MgH2 + 2AlH3 + 4SiH4, energy = 0.520719947649648
| 17: 217 + 9H2 -> 4BH3 + 2CH4 + O2 + 3F2 + 2MgH2 + 2SiH4, energy = 1.0415669053340642
| 18: 218 + 4H2 -> 6BH3 + N2 + O2 + F2 + 2AlH3 + Cl2, energy = 0.92566092603984
| 19: 219 + 7H2 -> 2LiH + 4BH3 + O2 + F2 + 4AlH3 + 2P2 + S2, energy = 1.0590437729664
| 20: 220 + 11H2 -> 6BH3 + 4CH4 + 2N2 + 2F2 + P2, energy = 0.38693519443991997
| 21: 221 + 7H2 -> 2BH3 + 2O2 + 2NaH + 4MgH2 + 4AlH3 + Cl2, energy = 1.284801799044432
| 22: 222 + 3H2 -> 6BH3 + 2O2 + F2 + 2MgH2 + P2, energy = 1.125407233253328
| 23: 223 + 20H2 -> 8BH3 + 2CH4 + F2 + 2MgH2 + 4SiH4 + Cl2, energy = 0.343250276245632
| 24: 224 + 8H2 -> 2BH3 + O2 + 4F2 + 2AlH3 + 4SiH4 + S2, energy = 1.70617264892088
| 25: 25 + 5H2 -> 2BH3 + O2 + F2 + AlH3 + 2SiH4, energy = 0.5139211658261761
| 26: 226 + 8H2 -> 2BH3 + 2CH4 + 2O2 + 2MgH2 + 2AlH3 + 2SiH4 + P2, energy = 0.5954778628819201
| 27: 227 + 12H2 -> 2BH3 + 6CH4 + 2N2 + O2 + 2AlH3 + S2 + Cl2, energy = 0.183210939311904
| 28: 228 -> 4BH3 + 2N2 + O2 + F2 + 2AlH3, energy = 0.518113771854672
| 29: 229 + 9H2 -> 2LiH + 4BH3 + 2CH4 + N2 + 3F2 + 2SiH4 + S2, energy = 1.107717460468608
| 30: 230 + 12H2 -> 4LiH + 2BH3 + 2CH4 + 5F2 + 2AlH3 + 2SiH4 + S2, energy = 2.056918429539552
| 31: 231 + 8H2 -> 4BH3 + 2CH4 + O2 + F2 + 2AlH3 + 4P2 + Cl2, energy = 0.8524178883364321
| 32: 232 + 11H2 -> 2LiH + 6BH3 + N2 + 2F2 + 2AlH3 + 2SiH4 + S2, energy = 1.092544143717792
| 33: 233 + 6H2 -> 4BH3 + 2CH4 + 2N2 + F2 + 2AlH3 + 2S2, energy = 0.4983072182772
| 34: 234 + 10H2 -> 2BH3 + 2CH4 + N2 + 2O2 + F2 + 2MgH2 + 2AlH3 + 2SiH4 + P2, energy = 0.8577786042204479
| 35: 235 + 20H2 -> 2LiH + 4BH3 + 4CH4 + O2 + 4AlH3 + 2SiH4 + P2 + Cl2, energy = 0.363619689851712
| 36: 236 -> 3H2 + 2LiH + 2CH4 + N2 + 2O2 + F2 + P2 + Cl2, energy = 0.881022556104
| 37: 237 + 19H2 -> 8BH3 + 2CH4 + 2O2 + F2 + 2AlH3 + 2SiH4 + 2S2, energy = 1.0036250080092481
| 38: 238 + 12H2 -> 2BH3 + 2CH4 + 2N2 + F2 + 2AlH3 + 4SiH4 + P2 + S2, energy = 0.156482577879792
| 39: 239 + 5H2 -> 2LiH + 2BH3 + 4CH4 + 2F2 + 2NaH + Cl2, energy = 0.695454680262336
| 40: 240 + 26H2 -> 6BH3 + 6CH4 + N2 + 2AlH3 + 4SiH4, energy = -0.5784464068520639
| 41: 241 + 16H2 -> 4BH3 + 6CH4 + F2 + 2NaH + 2AlH3 + 2S2, energy = 0.255439809058896
| 42: 242 + 11H2 -> 4BH3 + 2CH4 + N2 + 2O2 + 2F2 + 4AlH3 + P2, energy = 1.202604633569952
| 43: 243 + 7H2 -> 2BH3 + 3N2 + O2 + F2 + 2AlH3 + 4SiH4, energy = 0.672449290514352