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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 | |
| 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | ||
|---|---|---|---|---|---|---|---|---|---|---|
| Moller Plesset perturbation | MP2=FULL | -0.000841 | -0.002061 | -0.000009 | -0.000079 | -0.000079 | -0.000083 | -0.106973 | -0.107025 | -0.000978 |
| MP3=FULL | -0.036778 | -0.000269 | ||||||||
| Coupled Cluster | CCSD(T)=FULL | -0.000076 | ||||||||
| 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) |