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

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

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

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3606 2516 A1 1090  
2 A 3475 2852 A1 623  
3 A 2847 2707 A1 140  
4 A 1799 1631 A1 168  
5 A 1598 1317 A2 281  
6 A 1405 252 B1 1153  
7 A 1235 866 B1 369  
8 A 1075 244 B2 831  
9 A 1039 804 B2 235  
10 A 607        
11 A 557        
12 A 102        
The calculated vibrational frequencies were scaled by 0.9055

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.