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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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| You are here: Calculated > Energy > Correlation > Full vs Frozen core energies | |
| 6-31G* | 6-31+G** | ||
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| Moller Plesset perturbation | MP3=FULL | -0.026417 | -0.049042 |
| 6-31G* | 6-31+G** |