Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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6-31G* | cc-pVDZ | cc-pVTZ | aug-cc-pVTZ | ||
---|---|---|---|---|---|
hartree fock | HF | ov | |||
6-31G* | cc-pVDZ | cc-pVTZ | aug-cc-pVTZ | ||
Moller Plesset perturbation | MP2 | ov | |||
B2PLYP | ov | ||||
B2PLYP=FULLultrafine | ov | ov | ov | ov | |
6-31G* | cc-pVDZ | cc-pVTZ | aug-cc-pVTZ |