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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 | |
| STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ | ||
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| Moller Plesset perturbation | MP2=FULL | 0.000000 | -0.006435 | -0.020078 | -0.020125 | -0.053144 | -0.053144 | -0.054416 | -0.788373 | -0.788373 | -0.161621 | -0.015295 |
| MP3=FULL | -0.049560 | -0.095712 | ||||||||||
| STO-3G | 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | cc-pVDZ |