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DARC results

Density functional: PKZB

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 ethene butadiene P1/$A -1 -1 1 -45.4 11.08 -4.04
2 ethine butadiene P2/$A -1 -1 1 -60.8 8.03 -6.69
3 ethene cpdiene P3/$A -1 -1 1 -29.9 9.20 -5.48
4 ethine cpdiene P4/$A -1 -1 1 -33.6 5.67 -8.53
5 ethene chdiene P5/$A -1 -1 1 -37.6 10.18 -5.54
6 ethine chdiene P6/$A -1 -1 1 -49.0 6.38 -9.19
7 furane malein P7/$A -1 -1 1 -14.0 13.58 -3.04
8 furane malein P7X/$A -1 -1 1 -15.9 13.44 -2.56
9 furane maleinNH P8/$A -1 -1 1 -16.8 13.64 -3.15
10 furane maleinNH P8X/$A -1 -1 1 -18.9 13.35 -2.84
11 cpdiene malein P9/$A -1 -1 1 -31.7 13.11 -4.05
12 cpdiene malein P9X/$A -1 -1 1 -32.2 12.78 -4.25
13 cpdiene maleinNH P10/$A -1 -1 1 -34.2 13.09 -4.27
14 cpdiene maleinNH P10X/$A -1 -1 1 -34.6 12.76 -4.43
MD 11.16 -4.86
MAD 11.16 4.86
RMSD 11.49 5.24