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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for SiH3F (monofluorosilane)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2056 -150 A1 2206  
2 A1 906 -84 A1 990  
3 A1 704 -168 A1 872  
4 E 2081 -115 E 2196  
5 E 892 -64 E 956  
6 E 647 -81 E 728  
The calculated vibrational frequencies were scaled by 0.9014

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.