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DC13 results

Density functional: HISS

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 0.92 1.06 0.94
2 c20cage c20bowl -1 1 -7.7 10.49 11.88 13.97
3 heptatriyne heptahexaene 1 -1 -15.2 4.89 4.88 4.97
4 tmethen omcb -2 1 -18.8 5.71 -1.65 -1.21
5 ISO_E35 ISO_P35 1 -1 -22.9 -15.78 -15.96 -16.80
6 carbooxo2 carbooxo1 -1 1 -25.7 24.56 24.14 24.06
7 ethen ch2n2 13dip -1 -1 1 -38.9 -5.43 -6.38 -6.73
8 be4 be 1 -4 -92.0 -18.01 -18.04 -21.03
9 s2 s8 -4 1 -106.0 7.28 4.12 -8.54
10 ISO_C8H8_1 ISO_C8H8_41 -1 1 109.92 -7.84 -8.01 -7.54
11 o3 c2h2 o3_c2h2_add -1 -1 1 -65.3 -16.19 -16.62 -16.91
12 o3 c2h4 o3_c2h4_add -1 -1 1 -58.7 -14.85 -15.67 -15.58
13 C6Cl6 HCL C6H6 CL2 -1 -6 1 6 152.6 -6.35 -3.33 1.31
MD -2.35 -3.04 -3.78
MAD 10.64 10.13 10.74
RMSD 12.44 12.36 13.10