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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 | -0.008068 | -0.009971 | -0.023700 | -0.006756 | -0.020280 | -0.020280 | -0.022179 | -0.245741 | -0.245741 | -0.036840 | -0.011841 | -0.099514 |
| MP3=FULL | -0.019173 | -0.022576 | |||||||||||
| 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 |