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

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

B3PW91/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3582 2492 A1 1090  
2 A1 596 -27 A1 623  
3 A' 2843 2703 A1 140  
4 A1 162 -6 A1 168  
5 A' 1571 1290 A2 281  
6 B1 1172 19 B1 1153  
7 A' 1235 866 B1 369  
8 B2 766 -65 B2 831  
9 A' 540 305 B2 235  
10 A" 1001        
11 A" 627        
12 A" 144        
The calculated vibrational frequencies were scaled by 0.9567

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.