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

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

BLYP/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3500 2410 A1 1090  
2 A 3367 2744 A1 623  
3 A 2807 2667 A1 140  
4 A 1685 1517 A1 168  
5 A 1608 1327 A2 281  
6 A 1391 238 B1 1153  
7 A 1215 846 B1 369  
8 A 1030 199 B2 831  
9 A 1016 781 B2 235  
10 A 653        
11 A 542        
12 A 450        
The calculated vibrational frequencies were scaled by 0.9935

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.