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DARC results

Density functional: r2SCAN-3c

Reference values and deviations (result - reference) of the respective functional in kcal/mol.

# Systems Stoichiometry Ref. r2SCAN-3c
1 ethene butadiene P1/$A -1 -1 1 -45.4 -1.54
2 ethine butadiene P2/$A -1 -1 1 -60.8 -4.79
3 ethene cpdiene P3/$A -1 -1 1 -29.9 -0.12
4 ethine cpdiene P4/$A -1 -1 1 -33.6 -2.57
5 ethene chdiene P5/$A -1 -1 1 -37.6 -0.71
6 ethine chdiene P6/$A -1 -1 1 -49.0 -4.02
7 furane malein P7/$A -1 -1 1 -14.0 1.53
8 furane malein P7X/$A -1 -1 1 -15.9 1.85
9 furane maleinNH P8/$A -1 -1 1 -16.8 1.53
10 furane maleinNH P8X/$A -1 -1 1 -18.9 1.73
11 cpdiene malein P9/$A -1 -1 1 -31.7 0.53
12 cpdiene malein P9X/$A -1 -1 1 -32.2 0.67
13 cpdiene maleinNH P10/$A -1 -1 1 -34.2 0.51
14 cpdiene maleinNH P10X/$A -1 -1 1 -34.6 0.61
MD -0.34
MAD 1.62
RMSD 2.09