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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 | |
| 3-21G | 3-21G* | 6-311G* | 6-311G** | ||
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| Moller Plesset perturbation | MP2=FULL | -0.0001 | -0.0003 | 0.0092 | -0.0013 |
| 3-21G | 3-21G* | 6-311G* | 6-311G** |