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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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| composite | G2 | freqR |
|---|---|---|
| G3 | freqR | |
| G3B3 | freq | |
| G4 | freq | |
| CBS-Q | freqR |
| 6-31G* | cc-pVDZ | cc-pVTZ | aug-cc-pVTZ | ||
|---|---|---|---|---|---|
| Moller Plesset perturbation | B2PLYP=FULLultrafine | freqR | freqR | freqR | freqR |
| 6-31G* | cc-pVDZ | cc-pVTZ | aug-cc-pVTZ |
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