Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
semi-empirical | AM1 | 1.4608 48 |
---|---|---|
PM3 | 1.4948 54 |
|
PM6 | 1.4973 66 |
|
composite | G2 | 1.4742 48 |
G3 | 1.4742 48 |
|
G3B3 | 1.5115 67 |
|
G3MP2 | 1.4280 7 |
|
G4 | 1.4848 76 |
|
CBS-Q | 1.4725 49 |