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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 | ||
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| Moller Plesset perturbation | MP2=FULL | -0.001386 | -0.006578 | -0.006578 | -0.005077 | -0.018548 | -0.018718 | -0.019503 | -0.074409 | -0.074644 | -0.032976 | -0.009285 |
| MP3=FULL | -0.018232 | -0.022846 | ||||||||||
| B2PLYP=FULL | -0.001960 | -0.005385 | -0.005640 | |||||||||
| Coupled Cluster | CCSD(T)=FULL | -0.017929 | ||||||||||
| 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 |