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-pVTZ | ||
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Moller Plesset perturbation | MP2=FULL | -0.003911 | -0.001059 | -0.003315 | -0.000069 | -0.000114 | -0.000116 | -0.000127 | -0.107843 | -0.107987 | -0.000899 | |
MP3=FULL | -0.000097 | -0.000710 | ||||||||||
Coupled Cluster | CCSD(T)=FULL | 6.784200 | -0.179112 | |||||||||
STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVTZ |