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DC13 results

Density functional: B3LYP

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 1.55 1.90 1.66
2 c20cage c20bowl -1 1 -7.7 -29.54 -25.26 -20.90
3 heptatriyne heptahexaene 1 -1 -15.2 9.03 9.02 9.19
4 tmethen omcb -2 1 -18.8 26.21 12.03 11.00
5 ISO_E35 ISO_P35 1 -1 -22.9 24.40 23.75 21.27
6 carbooxo2 carbooxo1 -1 1 -25.7 3.57 2.56 2.79
7 ethen ch2n2 13dip -1 -1 1 -38.9 11.26 9.22 7.53
8 be4 be 1 -4 -92.0 -3.64 -3.71 -8.14
9 s2 s8 -4 1 -106.0 31.89 25.02 11.90
10 ISO_C8H8_1 ISO_C8H8_41 -1 1 109.92 17.60 16.97 17.45
11 o3 c2h2 o3_c2h2_add -1 -1 1 -65.3 0.39 -0.49 -1.76
12 o3 c2h4 o3_c2h4_add -1 -1 1 -58.7 3.37 1.61 1.09
13 C6Cl6 HCL C6H6 CL2 -1 -6 1 6 152.6 -28.88 -22.67 -17.19
MD 5.17 3.84 2.76
MAD 14.72 11.86 10.14
RMSD 18.74 15.11 12.32