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DC13 results

Density functional: MPWB1K

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 -0.24 -0.04 -0.22
2 c20cage c20bowl -1 1 -7.7 11.52 14.51 14.06
3 heptatriyne heptahexaene 1 -1 -15.2 3.98 3.96 4.04
4 tmethen omcb -2 1 -18.8 4.41 -3.09 -1.53
5 ISO_E35 ISO_P35 1 -1 -22.9 -16.74 -16.94 -17.55
6 carbooxo2 carbooxo1 -1 1 -25.7 25.29 24.75 24.88
7 ethen ch2n2 13dip -1 -1 1 -38.9 -1.44 -2.52 -2.57
8 be4 be 1 -4 -92.0 -9.92 -9.97 -11.76
9 s2 s8 -4 1 -106.0 9.94 6.18 0.09
10 ISO_C8H8_1 ISO_C8H8_41 -1 1 109.92 -11.10 -11.45 -10.90
11 o3 c2h2 o3_c2h2_add -1 -1 1 -65.3 -15.01 -15.46 -15.63
12 o3 c2h4 o3_c2h4_add -1 -1 1 -58.7 -13.47 -14.39 -14.12
13 C6Cl6 HCL C6H6 CL2 -1 -6 1 6 152.6 -7.52 -4.10 -2.13
MD -1.56 -2.20 -2.56
MAD 10.04 9.80 9.19
RMSD 12.00 12.00 11.95