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 | 1.3257 323 |
---|---|---|
PM3 | 1.3093 315 |
|
PM6 | 1.3487 559 |
|
composite | G2 | 1.3282 355 |
G3 | 1.3107 347 |
|
G3B3 | 1.3351 552 |
|
G3MP2 | 1.2524 39 |
|
G4 | 1.3232 562 |
|
CBS-Q | 1.3171 347 |
|
molecular mechanics | DREIDING | 1.2635 3 |