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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 | |
| STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | cc-pVTZ | ||
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| Moller Plesset perturbation | MP2=FULL | -0.001326 | -0.006494 | -0.014398 | -0.004396 | -0.015503 | -0.015503 | -0.016303 | -0.137473 | -0.137473 | -0.026366 | -0.008364 | -0.045849 |
| MP3=FULL | -0.014745 | -0.016945 | |||||||||||
| STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | cc-pVTZ |