back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to BSR36 main page   back to VV10 main page

BSR36 results

Density functional: VV10

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. VV10
1 c2h6 h1 ch4 5 -1 -4 9.54 -1.79
2 c2h6 h2 ch4 5 -1 -4 9.50 -1.49
3 c2h6 h3 ch4 5 -1 -4 11.09 -2.18
4 c2h6 h4 ch4 5 -1 -4 8.85 -1.47
5 c2h6 h5 ch4 5 -1 -4 8.64 -1.18
6 c2h6 h6 ch4 6 -1 -5 10.81 -1.45
7 c2h6 h7 ch4 6 -1 -5 12.74 -2.04
8 c2h6 h8 ch4 6 -1 -5 11.70 -1.80
9 c2h6 h9 ch4 6 -1 -5 13.20 -2.44
10 c2h6 h10 ch4 6 -1 -5 11.07 -1.97
11 c2h6 h11 ch4 6 -1 -5 12.49 -2.81
12 c2h6 h12 ch4 6 -1 -5 12.35 -2.52
13 c2h6 h13 ch4 6 -1 -5 10.99 -1.68
14 c2h6 h14 ch4 6 -1 -5 9.83 -1.44
15 c2h6 h15 ch4 7 -1 -6 14.27 -3.96
16 c2h6 r1 ch4 5 -1 -5 2.24 -1.78
17 c2h6 r2 ch4 6 -1 -6 10.56 -2.09
18 c2h6 r3 ch4 6 -1 -6 6.11 -2.20
19 c2h6 r4 ch4 7 -1 -7 14.67 -2.60
20 c2h6 r5 ch4 7 -1 -7 10.21 -3.20
21 c2h6 r6 ch4 7 -1 -7 9.78 -2.61
22 c2h6 r7 ch4 7 -1 -7 8.72 -2.90
23 c2h6 r8 ch4 7 -1 -7 10.10 -2.63
24 c2h6 r9 ch4 7 -1 -7 9.47 -2.63
25 c2h6 r10 ch4 11 -1 -12 18.55 -4.83
26 c2h6 r11 ch4 11 -1 -12 8.93 -3.10
27 c2h6 r12 ch4 11 -1 -12 14.56 -3.74
28 c2h6 r13 ch4 11 -1 -12 25.52 -4.63
29 c2h6 r14 ch4 11 -1 -12 22.86 -4.51
30 c2h6 r15 ch4 13 -1 -14 27.25 -4.97
31 c2h6 r16 ch4 12 -1 -12 24.96 -3.98
32 c2h6 c1 ch4 12 -1 -14 26.82 -6.18
33 c2h6 c2 ch4 14 -1 -16 38.34 -8.07
34 c2h6 c3 ch4 14 -1 -16 31.09 -7.95
35 c2h6 c4 ch4 16 -1 -18 49.82 -8.95
36 c2h6 c5 ch4 18 -1 -22 45.46 -10.68
MD -3.46
MAD 3.46
RMSD 4.14