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G21IP results

Density functional: M052X

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(0)
1 h -1 314.9 -1.29 -1.29
2 li+ li 1 -1 123.3 -0.07 -0.07
3 be+ be 1 -1 214.9 -2.33 -2.33
4 b+ b 1 -1 190.4 2.81 2.81
5 c+ c 1 -1 259.6 2.27 2.27
6 n+ n 1 -1 335.3 1.10 1.10
7 o+ o 1 -1 313.8 4.30 4.30
8 f+ f 1 -1 401.7 2.78 2.78
9 na+ na 1 -1 118.5 -3.08 -3.08
10 mg+ mg 1 -1 176.3 8.03 8.03
11 al+ al 1 -1 138 -3.98 -3.98
12 si+ si 1 -1 188 -3.19 -3.19
13 p+ p 1 -1 241.9 -3.76 -3.76
14 s+ s 1 -1 239 2.33 2.33
15 cl+ cl 1 -1 299.1 1.66 1.66
16 IP_59 8 1 -1 296.339 -1.53 -1.53
17 IP_60 11 1 -1 235.69 0.65 0.65
18 IP_61 12 1 -1 300.917 2.68 2.68
19 IP_62 13 1 -1 292.648 0.35 0.35
20 IP_63 14 1 -1 371.311 0.77 0.77
21 IP_64 18 1 -1 255.387 -4.47 -4.47
22 IP_65 IP_n65 1 -1 234.107 -1.84 -1.84
23 IP_66 19 1 -1 226.367 -1.08 -1.08
24 IP_67 20 1 -1 227.822 -2.61 -2.61
25 IP_68 137 1 -1 239.300 1.34 1.34
26 IP_70 22 1 -1 294.459 0.08 0.08
27 IP_71 25 1 -1 264.585 -4.38 -4.38
28 IP_72 26 1 -1 243.709 -5.90 -5.90
29 IP_73 30 1 -1 322.986 8.37 8.37
30 IP_74 34 1 -1 359.365 14.04 14.04
31 IP_75 37 1 -1 277.727 10.45 10.45
32 IP_76 43 1 -1 242.854 7.25 7.25
33 IP_77 44 1 -1 215.737 4.09 4.09
34 IP_78 45 1 -1 265.083 -0.61 -0.61
35 IP_79 51 1 -1 291.699 0.46 0.46
36 IP_80 48 1 -1 261.153 3.68 3.68
MD 1.09 1.09
MAD 3.32 3.32
RMSD 4.50 4.50