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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 | 8.389 |
---|---|---|
G3 | 8.370 | |
G3B3 | 8.057 | |
G4 | 7.901 | |
CBS-Q | 8.312 |
CEP-31G | CEP-31G* | CEP-121G | CEP-121G* | LANL2DZ | SDD | cc-pVTZ-PP | aug-cc-pVTZ-PP | Def2TZVPP | ||
---|---|---|---|---|---|---|---|---|---|---|
hartree fock | HF | 7.534 | 7.520 | 7.383 | ||||||
density functional | B3LYP | 7.275 | 7.385 | |||||||
PBEPBE | 6.561 |