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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 | |
| 3-21G | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | ||
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| Moller Plesset perturbation | MP2=FULL | -0.004917 | -0.012581 | -0.037244 | -0.037244 | -0.038254 | -0.397159 | -0.397159 | -0.103718 | -0.010895 |
| MP3=FULL | -0.034572 | -0.085604 | ||||||||
| 3-21G | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ |