GMTKN55 G21IP
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
IP_61 IP_66 IP_59 IP_68 51 34 IP_67 IP_60 li+ n+ be al mg na c+ na+ si+ 20 18 11 IP_73 IP_n65 IP_74 IP_80 n 45 cl+ IP_75 IP_72 19 26 8 s f o 44 43 h IP_65 IP_62 p+ 30 37 IP_63 mg+ IP_64 s+ 137 si be+ b+ f+ li o+ cl 48 c IP_79 IP_77 12 IP_70 b IP_71 13 14 IP_76 p 22 IP_78 al+ 25
Reactions
1: h -> , energy = 0.501825093456
2: li -> li+, energy = 0.196491057552
3: be -> be+, energy = 0.34246494945600003
4: b -> b+, energy = 0.303421714176
5: c -> c+, energy = 0.413698933824
6: n -> n+, energy = 0.534334562832
7: o -> o+, energy = 0.5000721318720001
8: f -> f+, energy = 0.640149698448
9: na -> na+, energy = 0.18884177064
10: mg -> mg+, energy = 0.280951933872
11: al -> al+, energy = 0.21991699872
12: si -> si+, energy = 0.29959707072
13: p -> p+, energy = 0.385492188336
14: s -> s+, energy = 0.38087074416
15: cl -> cl+, energy = 0.47664619070400005
16: 8 -> IP_59, energy = 0.47224625712816
17: 11 -> IP_60, energy = 0.3755959233936
18: 12 -> IP_61, energy = 0.47954176452048
19: 13 -> IP_62, energy = 0.46636427421312004
20: 14 -> IP_63, energy = 0.59172174428784
21: 18 -> IP_64, energy = 0.40698509095728
22: IP_n65 -> IP_65, energy = 0.37307325231408
23: 19 -> IP_66, energy = 0.36073877716847996
24: 20 -> IP_67, energy = 0.36305746726368
25: 137 -> IP_68, energy = 0.38134882459200004
26: 22 -> IP_70, energy = 0.46925028642096
27: 25 -> IP_71, energy = 0.42164303700239997
28: 26 -> IP_72, energy = 0.38837501334096003
29: 30 -> IP_73, energy = 0.51471095469984
30: 34 -> IP_74, energy = 0.5726845814856
31: 37 -> IP_75, energy = 0.44258614712688
32: 43 -> IP_76, energy = 0.38701248410976
33: 44 -> IP_77, energy = 0.34379879386128
34: 45 -> IP_78, energy = 0.42243665051952006
35: 51 -> IP_79, energy = 0.46485194644656
36: 48 -> IP_80, energy = 0.41617379686032