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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: Comparisons > Geometry > Bonds, angles > Core correlation - bond length | |
| 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) | ||
|---|---|---|---|---|---|---|---|---|---|---|
| Moller Plesset perturbation | MP2=FULL | 0.0217 | 0.0198 | 0.0001 | 0.0006 | 0.0005 | 0.0007 | 0.0004 | 0.0010 | 0.0017 |
| MP3=FULL | -0.0001 | -0.0837 | ||||||||
| Coupled Cluster | CCSD(T)=FULL | 0.0005 | ||||||||
| 3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) |