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Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) 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 | -0.000959 | -0.010012 | -0.023942 | -0.024166 | -0.064849 | -0.065718 | -0.067442 | -0.826515 | -0.827214 | -0.185217 | -0.021338 | -0.124186 |
| Coupled Cluster | CCSD(T)=FULL | -0.062446 | -0.019873 | -0.080838 | |||||||||
| 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 |