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

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

B3LYP/6-31G(2df,p)

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3606 2516 A1 1090  
2 A 3470 2847 A1 623  
3 A 2827 2687 A1 140  
4 A 1770 1602 A1 168  
5 A 1558 1277 A2 281  
6 A 1381 228 B1 1153  
7 A 1227 858 B1 369  
8 A 1017 186 B2 831  
9 A 1015 780 B2 235  
10 A 625        
11 A 544        
12 A 142        
The calculated vibrational frequencies were scaled by 0.965

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.