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Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) 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 | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | TZVP | cc-pVDZ | cc-pVTZ | aug-cc-pVDZ | ||
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| Moller Plesset perturbation | MP2=FULL | -0.015316 | -0.039810 | -0.039810 | -0.041286 | -0.442144 | -0.442144 | -0.112242 | -0.166324 | -0.014709 | -0.017404 | |
| MP3=FULL | -0.038056 | -0.060824 | ||||||||||
| Coupled Cluster | CCSD(T)=FULL | -0.039786 | -0.149132 | -0.013710 | -0.086564 | -0.016325 | ||||||
| 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | TZVP | cc-pVDZ | cc-pVTZ | aug-cc-pVDZ |