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 | 1.2420 32 |
---|---|---|
PM3 | 1.3735 32 |
|
PM6 | 1.2820 45 |
|
composite | G2 | 1.3437 37 |
G3 | 1.3439 37 |
|
G3B3 | 1.3818 41 |
|
G3MP2 | 1.2697 8 |
|
G4 | 1.3630 45 |
|
CBS-Q | 1.3316 38 |