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* | 6-311+G(3df,2p) | TZVP | cc-pVDZ | cc-pVTZ | aug-cc-pVTZ | daug-cc-pVTZ | ||
---|---|---|---|---|---|---|---|---|
hartree fock | HF | ov | ||||||
density functional | M06-2X | ov | ||||||
PBEPBE | ov | |||||||
B97D3 | ov | ov | ||||||
Moller Plesset perturbation | B2PLYP=FULLultrafine | ov | ov | ov | ov | |||
6-31G* | 6-311+G(3df,2p) | TZVP | cc-pVDZ | cc-pVTZ | aug-cc-pVTZ | daug-cc-pVTZ |