TABLE VI.
Mean absolute and maximum errors (in kJ/mol) in the (T) contribution to the reaction energies () for the NWH test set compared to our previous LNO-CCSD(T) results used as reference.
| Basis set | TLT | MAE | MAX |
|---|---|---|---|
| cc-pVTZ | 10−3 | 0.0073 | 0.040 |
| 10−2 | 0.073 | 0.40 | |
| T0′ | 0.39 | 1.9 | |
| aug-cc-pVTZ | 10−3 | 0.0070 | 0.030 |
| 10−2 | 0.054 | 0.34 | |
| T0′ | 0.41 | 2.0 | |
| cc-pVQZ | 10−3 | 0.0040 | 0.025 |
| 10−2 | 0.020 | 0.058 | |
| T0′ | 0.40 | 1.9 |