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) | ||
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Moller Plesset perturbation | MP2=FULL | 0.0295 | 0.0936 | 0.0002 | 0.0003 | 0.0002 | 0.0003 | 0.0045 | 0.0024 | 0.0024 |
MP3=FULL | -0.0093 | -0.0169 | ||||||||
Coupled Cluster | CCSD(T)=FULL | 0.0001 | ||||||||
3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* | 6-311G** | 6-31G(2df,p) |