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III.B.3.c. (IV.C.3.) (XIII.C.5.)

Calculate a vibrational scaling factor

Enter Formula(s)
or choose by chemical groups.

Rules for chemical formula

Species in the CCCBDB

Going to the group selection page allows the selection of molecules with certain chemical groups, such as C=O bonds or NH2 groups or molecules that contain phosphorus. A list of species that match the group criteria is returned and one or more may be selected.

Experimental vibrational frequencies are not present for all species in the database. Only species with experimental vibrational frequencies will be used to compute the least-squares best scaling factor.