| |
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 | AM1 | 1455R |
|---|---|---|
| PM3 | 1416R | |
| PM6 | 1250 | |
| composite | G2 | 1471R |
| G3 | 1471R | |
| G3B3 | 1401 | |
| G3MP2 | 1471R | |
| G4 | 1430 | |
| CBS-Q | 1415R | |
| molecular mechanics | DREIDING | 1088 |
| Browse | |
|---|---|
| Previous | Next |