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

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

B3PW91/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3529 2439 A1 1090  
2 A1 570 -53 A1 623  
3 A' 2833 2693 A1 140  
4 A1 160 -8 A1 168  
5 A' 1602 1321 A2 281  
6 B1 1154 1 B1 1153  
7 A' 1230 861 B1 369  
8 B2 774 -57 B2 831  
9 A' 547 312 B2 235  
10 A" 1041        
11 A" 657        
12 A" 496        
The calculated vibrational frequencies were scaled by 0.9594

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.