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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: Home > Vibrations > Calculated > Frequencies OR Calculated > Vibrations > Frequencies | |
| aug-cc-pVDZ | aug-cc-pVTZ | ||
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| Moller Plesset perturbation | B2PLYP=FULLultrafine | freqR | |
| Quadratic configuration interaction | QCISD(T) | dnf | |
| aug-cc-pVDZ | aug-cc-pVTZ |
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