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* | ||
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Moller Plesset perturbation | MP2=FULL | 0.0044 | 0.0324 | 0.0001 | 0.0033 | 0.0031 | 0.0029 | 0.0074 |
MP3=FULL | -0.0036 | -0.0331 | ||||||
Coupled Cluster | CCSD(T)=FULL | 0.0030 | ||||||
3-21G | 3-21G* | 6-31G | 6-31G* | 6-31G** | 6-31+G** | 6-311G* |