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G21IP results

Density functional: M05

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 -2.55 -2.55
2 li+ li 1 -1 123.3 3.82 3.82
3 be+ be 1 -1 214.9 -5.55 -5.55
4 b+ b 1 -1 190.4 0.79 0.79
5 c+ c 1 -1 259.6 -1.40 -1.40
6 n+ n 1 -1 335.3 3.23 3.23
7 o+ o 1 -1 313.8 4.23 4.23
8 f+ f 1 -1 401.7 1.76 1.76
9 na+ na 1 -1 118.5 -1.47 -1.47
10 mg+ mg 1 -1 176.3 1.96 1.96
11 al+ al 1 -1 138 -3.74 -3.74
12 si+ si 1 -1 188 -4.77 -4.77
13 p+ p 1 -1 241.9 -1.16 -1.16
14 s+ s 1 -1 239 -1.96 -1.96
15 cl+ cl 1 -1 299.1 -2.33 -2.33
16 IP_59 8 1 -1 296.339 -7.53 -7.55
17 IP_60 11 1 -1 235.69 -2.88 -2.89
18 IP_61 12 1 -1 300.917 -0.74 -0.74
19 IP_62 13 1 -1 292.648 -2.27 -2.27
20 IP_63 14 1 -1 371.311 -1.17 -1.17
21 IP_64 18 1 -1 255.387 -6.16 -6.12
22 IP_65 IP_n65 1 -1 234.107 -1.04 -1.04
23 IP_66 19 1 -1 226.367 -1.98 -1.98
24 IP_67 20 1 -1 227.822 -4.60 -4.64
25 IP_68 137 1 -1 239.300 -2.95 -2.95
26 IP_70 22 1 -1 294.459 -1.45 -1.45
27 IP_71 25 1 -1 264.585 -10.30 -10.31
28 IP_72 26 1 -1 243.709 -11.57 -11.58
29 IP_73 30 1 -1 322.986 -0.62 -0.62
30 IP_74 34 1 -1 359.365 -0.85 -0.85
31 IP_75 37 1 -1 277.727 7.14 7.14
32 IP_76 43 1 -1 242.854 0.67 0.67
33 IP_77 44 1 -1 215.737 2.56 2.56
34 IP_78 45 1 -1 265.083 -4.54 -4.54
35 IP_79 51 1 -1 291.699 -3.97 -3.97
36 IP_80 48 1 -1 261.153 -1.84 -1.84
MD -1.81 -1.81
MAD 3.26 3.27
RMSD 4.17 4.17