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DC13 results

Density functional: mPW1LYP

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)
1 ISO_E36 ISO_P36 1 -1 -1.0 1.29 1.66
2 c20cage c20bowl -1 1 -7.7 -30.73 -24.72
3 heptatriyne heptahexaene 1 -1 -15.2 8.00 7.98
4 tmethen omcb -2 1 -18.8 23.41 10.66
5 ISO_E35 ISO_P35 1 -1 -22.9 24.58 24.02
6 carbooxo2 carbooxo1 -1 1 -25.7 1.94 0.95
7 ethen ch2n2 13dip -1 -1 1 -38.9 9.51 7.55
8 be4 be 1 -4 -92.0 -2.16 -2.24
9 s2 s8 -4 1 -106.0 31.73 24.87
10 ISO_C8H8_1 ISO_C8H8_41 -1 1 109.92 18.87 18.10
11 o3 c2h2 o3_c2h2_add -1 -1 1 -65.3 -2.66 -3.48
12 o3 c2h4 o3_c2h4_add -1 -1 1 -58.7 -0.10 -1.78
13 C6Cl6 HCL C6H6 CL2 -1 -6 1 6 152.6 -27.39 -21.28
MD 4.33 3.25
MAD 14.03 11.48
RMSD 18.36 14.79