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: Calculated > Reaction > Transition State > Transition state frequencies |
semi-empirical | PM3 | 2102i |
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6-31G* | 6-31+G** | ||
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hartree fock | HF | 40i | 1099i |
6-31G* | 6-31+G** |