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 | 0.9935 4 |
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PM3 | 1.1043 4 |
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PM6 | 1.2306 12 |
|
composite | G2 | 1.1058 7 |
G3 | 1.1058 7 |
|
G3B3 | 1.1573 7 |
|
G3MP2 | 0.9109 1 |
|
G4 | 1.1046 13 |
|
CBS-Q | 1.1067 7 |
|
molecular mechanics | DREIDING | 0.9310 1 |