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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 | PM3 | |
---|---|---|
PM6 | ||
composite | G1 | 8.192 |
G2MP2 | 8.181 | |
G2 | 8.201 | |
G3 | 8.233 | |
G3B3 | 8.236 | |
G3MP2 | 8.192 | |
G4 | 8.257 |