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) | ||
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Moller Plesset perturbation | MP2=FULL | -0.016853 | -0.065187 | -0.065187 | -0.070331 | -0.074590 | -0.074590 | -0.148749 | -0.436589 | -0.436589 | -0.110751 |
MP3=FULL | -0.050865 | -0.214513 | |||||||||
Coupled Cluster | CCSD(T)=FULL | -0.062677 | |||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) |