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DC13 results

Density functional: PBE0

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 0.98 1.17 1.04
2 c20cage c20bowl -1 1 -7.7 9.20 11.06 13.18
3 heptatriyne heptahexaene 1 -1 -15.2 8.09 8.09 8.18
4 tmethen omcb -2 1 -18.8 10.04 1.16 1.18
5 ISO_E35 ISO_P35 1 -1 -22.9 -7.76 -8.09 -9.20
6 carbooxo2 carbooxo1 -1 1 -25.7 22.23 21.67 21.69
7 ethen ch2n2 13dip -1 -1 1 -38.9 -1.17 -2.37 -3.08
8 be4 be 1 -4 -92.0 -21.14 -21.18 -23.16
9 s2 s8 -4 1 -106.0 8.76 4.78 -1.56
10 ISO_C8H8_1 ISO_C8H8_41 -1 1 109.92 -5.97 -6.24 -5.92
11 o3 c2h2 o3_c2h2_add -1 -1 1 -65.3 -8.37 -8.91 -9.42
12 o3 c2h4 o3_c2h4_add -1 -1 1 -58.7 -5.58 -6.63 -6.73
13 C6Cl6 HCL C6H6 CL2 -1 -6 1 6 152.6 -11.51 -7.82 -5.26
MD -0.17 -1.02 -1.46
MAD 9.29 8.40 8.43
RMSD 11.10 10.47 10.90