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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 | |
| 6-31G* | 6-31+G** | aug-cc-pVDZ | aug-cc-pVTZ | cc-pV(T+d)Z | ||
|---|---|---|---|---|---|---|
| Moller Plesset perturbation | MP2=FULL | -0.024165 | ||||
| MP3=FULL | -0.008090 | -0.042177 | ||||
| Coupled Cluster | CCSD(T)=FULL | -0.004081 | -0.028966 | -0.024011 | ||
| 6-31G* | 6-31+G** | aug-cc-pVDZ | aug-cc-pVTZ | cc-pV(T+d)Z |