All values in kcal/mol
| D4 | NN-D4 | |||
|---|---|---|---|---|
| Train set | Test set | Train set | Test set | |
| r2scan | 1.959 | 1.866 | 0.018 | 0.040 |
| b3lyp | 0.247 | 0.272 | 0.016 | 0.056 |
| pbe | 1.230 | 1.151 | 0.013 | 0.056 |
| pbe0 | 1.232 | 1.145 | 0.127 | 0.128 |
| wb97x | 2.245 | 2.168 | 0.011 | 0.043 |
| m06 | 2.054 | 2.021 | 0.048 | 0.132 |
| wb97m | 2.790 | 2.453 | 0.040 | 0.077 |
| tpss | 0.584 | 0.544 | 0.019 | 0.063 |
| blyp | 0.442 | 0.512 | 0.031 | 0.110 |
| scan | 2.143 | 2.111 | 0.022 | 0.051 |