I am using single scale factor to scale down the whole frequencies of the molecule depend on their basis set. It is good one or there is any list of scale factor applicable for particular frequency ranges. Please send me the proper scale factors for the pople basis sets.
The following paper can be helpful.
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries I. M. Alecu, J. Zheng, Y. Zhao, and D. G. Truhlar, J. Chem. Theory Comput. 6, 2872-2887 (2010).
Many scaling factors for commonly used methods/basis sets are also available here: http://cccbdb.nist.gov/vibscalejust.asp
Dear Bartosz sir,
Thanks for your valuable database information. Sure it will be helpful for me......
In Gaussian 09, there are a number of scale factor depending upon method and basis seti.e. B3LYP/6-31G(d) is 0.9613.
Dear sir,
I am using Gaussian 03 for my quantum calculations and my clarification is whether one scale factor is enough for entire frequency or more than one scale factor is good to scale down. Especially this scale factor is better for C-H and this One is better for some other vibrations like this..........
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