![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Ions > Electron Affinity > Calculated Electron affinity OR Calculated > Energy > Ion > Calculated Electron affinity |
composite | G2 | 3.062 |
---|---|---|
G3 | 2.970 | |
G3B3 | 2.843 | |
G3MP2 | 3.031 | |
G4 | 2.853 | |
CBS-Q | 2.935 |
CEP-31G | CEP-31G* | CEP-121G | CEP-121G* | LANL2DZ | SDD | cc-pVTZ-PP | aug-cc-pVTZ-PP | Def2TZVPP | ||
---|---|---|---|---|---|---|---|---|---|---|
hartree fock | HF | 1.092 | 1.261 | 1.156 | 1.318 | 1.046 | 1.051 | 1.420 | ||
density functional | B3LYP | 2.777 | 2.903 | 2.639 | 2.643 | 2.949 | ||||
Moller Plesset perturbation | MP2 | 2.852 | 3.043 | 2.905 | 3.014 | 2.708 | 2.722 | 3.370 |