![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Vibrations > Calculated > Frequencies OR Calculated > Vibrations > Frequencies |
semi-empirical | PM3 | 716 |
---|---|---|
PM6 | 1613 | |
composite | G2 | 1303 |
G3 | 1295 | |
G3B3 | 1528 | |
G4 | 1294 | |
CBS-Q | 1306 |
CEP-31G | CEP-31G* | CEP-121G | CEP-121G* | LANL2DZ | SDD | cc-pVTZ-PP | aug-cc-pVTZ-PP | Def2TZVPP | ||
---|---|---|---|---|---|---|---|---|---|---|
hartree fock | HF | 1302 | 1195 | 1247 | 1307 | 1301 | ||||
density functional | B3LYP | 1222 | 1146 | 1165 | 1288 | 1298 | ||||
PBEPBE | 1286 | |||||||||
Moller Plesset perturbation | MP2 | 1255 | 1164 | 1216 | 1274 | 1314 |
Browse | |
---|---|
Previous | Next |