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 | PM3 | |
---|---|---|
PM6 | ||
composite | G1 | 9.441 |
G2MP2 | 9.445 | |
G2 | 9.413 | |
G3 | 9.458 | |
G3B3 | 9.471 | |
G3MP2 | 9.552 | |
G4 | 9.357 | |
CBS-Q | 9.367 |