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

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

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

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3599 2509 A1 1090  
2 A 3461 2838 A1 623  
3 A 2811 2671 A1 140  
4 A 1752 1584 A1 168  
5 A 1558 1277 A2 281  
6 A 1381 228 B1 1153  
7 A 1218 849 B1 369  
8 A 1006 175 B2 831  
9 A 1001 766 B2 235  
10 A 634        
11 A 540        
12 A 74        
The calculated vibrational frequencies were scaled by 0.9945

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.