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 |
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 | -0.005944 | -0.016490 | -0.002712 | -0.009992 | -0.009992 | -0.010550 | -0.155777 | -0.155777 | -0.020613 |
MP3=FULL | -0.009094 | -0.015590 | ||||||||
Coupled Cluster | CCSD(T)=FULL | -0.009230 | ||||||||
3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) |