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

Compare vibrational frequencies in CCCBDB for CBr2F2 (Methane, dibromodifluoro-)

HF/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3600 2510 A1 1090  
2 A 3472 2849 A1 623  
3 A 2863 2723 A1 140  
4 A 1798 1630 A1 168  
5 A 1606 1325 A2 281  
6 A 1407 254 B1 1153  
7 A 1237 868 B1 369  
8 A 1073 242 B2 831  
9 A 1045 810 B2 235  
10 A 606        
11 A 562        
12 A 119        
The calculated vibrational frequencies were scaled by 0.9085

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.