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DARC results

Density functional: B1LYP

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 ethene butadiene P1/$A -1 -1 1 -45.4 12.02 8.47 6.41
2 ethine butadiene P2/$A -1 -1 1 -60.8 8.02 6.11 2.84
3 ethene cpdiene P3/$A -1 -1 1 -29.9 15.02 10.76 8.67
4 ethine cpdiene P4/$A -1 -1 1 -33.6 12.48 9.79 6.57
5 ethene chdiene P5/$A -1 -1 1 -37.6 15.46 10.70 8.26
6 ethine chdiene P6/$A -1 -1 1 -49.0 12.74 9.56 5.81
7 furane malein P7/$A -1 -1 1 -14.0 18.14 11.85 8.72
8 furane malein P7X/$A -1 -1 1 -15.9 17.60 11.54 9.13
9 furane maleinNH P8/$A -1 -1 1 -16.8 18.28 11.75 8.62
10 furane maleinNH P8X/$A -1 -1 1 -18.9 17.69 11.42 9.03
11 cpdiene malein P9/$A -1 -1 1 -31.7 18.89 11.91 8.70
12 cpdiene malein P9X/$A -1 -1 1 -32.2 18.58 11.66 8.93
13 cpdiene maleinNH P10/$A -1 -1 1 -34.2 19.09 11.86 8.65
14 cpdiene maleinNH P10X/$A -1 -1 1 -34.6 18.74 11.62 8.88
MD 15.91 10.64 7.80
MAD 15.91 10.64 7.80
RMSD 16.25 10.76 7.99