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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| semi-empirical | AM1 | 4459 |
|---|---|---|
| PM6 | 3970 | |
| composite | G2 | 4358 |
| G3 | 4358 | |
| G3B3 | 3973 | |
| G3MP2 | 4359 | |
| G4 | 4115 | |
| CBS-Q | 4321 | |
| molecular mechanics | DREIDING | 2937 |
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