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* | 6-311G* | ||
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Moller Plesset perturbation | MP2=FULL | -0.0008 | 0.0014 | 0.0185 |
Coupled Cluster | CCSD(T)=FULL | -0.0025 | ||
3-21G | 3-21G* | 6-311G* |