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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 | 2415 |
|---|---|---|
| PM3 | 2340 | |
| PM6 | 2026 | |
| composite | G2 | 2221 |
| G3 | 2221 | |
| G3B3 | 1991 | |
| G3MP2 | 2221 | |
| G4 | 1985 | |
| CBS-Q | 2249 | |
| molecular mechanics | DREIDING | 1821 |
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