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-pVQZ | aug-cc-pVQZ | ||
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Moller Plesset perturbation | MP3=FULL | -0.0017 | |||
Coupled Cluster | CCSD(T)=FULL | 0.0015 | 0.0038 | 0.0039 | |
6-31G* | 6-31+G** | cc-pVQZ | aug-cc-pVQZ |