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

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

BLYP/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3560 2470 A1 1090  
2 A 3432 2809 A1 623  
3 A 2829 2689 A1 140  
4 A 1750 1582 A1 168  
5 A 1577 1296 A2 281  
6 A 1381 228 B1 1153  
7 A 1224 855 B1 369  
8 A 1016 185 B2 831  
9 A 987 752 B2 235  
10 A 634        
11 A 540        
12 A 153        
The calculated vibrational frequencies were scaled by 0.9919

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.