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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* | 6-31+G** | cc-pV(T+d)Z | ||
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Moller Plesset perturbation | MP2=FULL | -0.006103 | -0.013474 | -0.012814 | -0.116114 |
MP3=FULL | -0.057867 | ||||
3-21G | 3-21G* | 6-31+G** | cc-pV(T+d)Z |