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 |
6-31+G** | cc-pV(T+d)Z | ||
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Moller Plesset perturbation | MP2=FULL | 0.0192 | |
MP3=FULL | 0.0172 | ||
6-31+G** | cc-pV(T+d)Z |