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

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

B3LYP/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3596 2506 A1 1090  
2 A 3459 2836 A1 623  
3 A 2905 2765 A1 140  
4 A 1681 1513 A1 168  
5 A 1606 1325 A2 281  
6 A 1380 227 B1 1153  
7 A 1248 879 B1 369  
8 A 1035 204 B2 831  
9 A 1011 776 B2 235  
10 A 655        
11 A 545        
12 A 513        
The calculated vibrational frequencies were scaled by 0.962

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.