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BSR36 results

Density functional: MN15L

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 c2h6 h1 ch4 5 -1 -4 9.54 1.90 1.90
2 c2h6 h2 ch4 5 -1 -4 9.50 1.01 1.01
3 c2h6 h3 ch4 5 -1 -4 11.09 2.11 2.11
4 c2h6 h4 ch4 5 -1 -4 8.85 1.20 1.20
5 c2h6 h5 ch4 5 -1 -4 8.64 0.42 0.42
6 c2h6 h6 ch4 6 -1 -5 10.81 0.49 0.49
7 c2h6 h7 ch4 6 -1 -5 12.74 2.07 2.07
8 c2h6 h8 ch4 6 -1 -5 11.70 1.06 1.06
9 c2h6 h9 ch4 6 -1 -5 13.20 2.06 2.06
10 c2h6 h10 ch4 6 -1 -5 11.07 2.22 2.22
11 c2h6 h11 ch4 6 -1 -5 12.49 2.98 2.98
12 c2h6 h12 ch4 6 -1 -5 12.35 3.36 3.36
13 c2h6 h13 ch4 6 -1 -5 10.99 1.24 1.24
14 c2h6 h14 ch4 6 -1 -5 9.83 1.25 1.25
15 c2h6 h15 ch4 7 -1 -6 14.27 5.43 5.43
16 c2h6 r1 ch4 5 -1 -5 2.24 2.02 2.02
17 c2h6 r2 ch4 6 -1 -6 10.56 1.86 1.86
18 c2h6 r3 ch4 6 -1 -6 6.11 2.29 2.29
19 c2h6 r4 ch4 7 -1 -7 14.67 2.34 2.34
20 c2h6 r5 ch4 7 -1 -7 10.21 3.49 3.49
21 c2h6 r6 ch4 7 -1 -7 9.78 2.51 2.51
22 c2h6 r7 ch4 7 -1 -7 8.72 3.60 3.60
23 c2h6 r8 ch4 7 -1 -7 10.10 2.99 2.99
24 c2h6 r9 ch4 7 -1 -7 9.47 2.54 2.54
25 c2h6 r10 ch4 11 -1 -12 18.55 5.91 5.91
26 c2h6 r11 ch4 11 -1 -12 8.93 3.19 3.19
27 c2h6 r12 ch4 11 -1 -12 14.56 3.90 3.90
28 c2h6 r13 ch4 11 -1 -12 25.52 4.27 4.27
29 c2h6 r14 ch4 11 -1 -12 22.86 4.79 4.79
30 c2h6 r15 ch4 13 -1 -14 27.25 5.41 5.41
31 c2h6 r16 ch4 12 -1 -12 24.96 2.77 2.78
32 c2h6 c1 ch4 12 -1 -14 26.82 7.63 7.63
33 c2h6 c2 ch4 14 -1 -16 38.34 8.06 8.06
34 c2h6 c3 ch4 14 -1 -16 31.09 7.94 7.94
35 c2h6 c4 ch4 16 -1 -18 49.82 11.29 11.29
36 c2h6 c5 ch4 18 -1 -22 45.46 10.11 10.11
MD 3.55 3.55
MAD 3.55 3.55
RMSD 4.40 4.40