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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 | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | cc-pVDZ | cc-pVQZ | aug-cc-pVDZ | cc-pV(T+d)Z | ||
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| Moller Plesset perturbation | MP2=FULL | -0.007682 | -0.013494 | -0.013495 | -0.014650 | -0.142604 | -0.008576 | -0.083261 | -0.010126 | -0.115085 |
| MP3=FULL | -0.012996 | -0.030060 | ||||||||
| 3-21G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | cc-pVDZ | cc-pVQZ | aug-cc-pVDZ | cc-pV(T+d)Z |