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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 | |
| 6-31G* | 6-31+G** | cc-pV(T+d)Z | ||
|---|---|---|---|---|
| Moller Plesset perturbation | MP2=FULL | 0.0151 | ||
| MP3=FULL | -0.0005 | |||
| Coupled Cluster | CCSD(T)=FULL | 0.0032 | ||
| 6-31G* | 6-31+G** | cc-pV(T+d)Z |