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DC13 results

Density functional: XLYP

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) D3(BJ)
1 ISO_E36 ISO_P36 1 -1 -1.0 2.87 3.37 2.84
2 c20cage c20bowl -1 1 -7.7 -42.58 -36.00 -27.66
3 heptatriyne heptahexaene 1 -1 -15.2 13.62 13.57 13.98
4 tmethen omcb -2 1 -18.8 35.01 16.40 15.21
5 ISO_E35 ISO_P35 1 -1 -22.9 41.92 40.74 35.74
6 carbooxo2 carbooxo1 -1 1 -25.7 -3.92 -5.15 -4.11
7 ethen ch2n2 13dip -1 -1 1 -38.9 19.43 16.38 13.64
8 be4 be 1 -4 -92.0 -6.82 -6.94 -21.65
9 s2 s8 -4 1 -106.0 37.86 29.75 -7.63
10 ISO_C8H8_1 ISO_C8H8_41 -1 1 109.92 25.51 24.31 24.71
11 o3 c2h2 o3_c2h2_add -1 -1 1 -65.3 12.01 10.73 8.37
12 o3 c2h4 o3_c2h4_add -1 -1 1 -58.7 16.22 13.71 12.73
13 C6Cl6 HCL C6H6 CL2 -1 -6 1 6 152.6 -40.71 -33.56 -22.65
MD 8.49 6.72 3.35
MAD 22.96 19.28 16.22
RMSD 27.14 22.65 18.73