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 |
STO-3G | 3-21G | 3-21G* | ||
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Moller Plesset perturbation | MP2=FULL | 0.0001 | -0.0000 | -0.0003 |
B2PLYP=FULL | 0.0000 | -0.0000 | -0.0001 | |
STO-3G | 3-21G | 3-21G* |