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

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

B3LYP/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3597 2507 A1 1090  
2 A 3464 2841 A1 623  
3 A 2825 2685 A1 140  
4 A 1757 1589 A1 168  
5 A 1566 1285 A2 281  
6 A 1375 222 B1 1153  
7 A 1225 856 B1 369  
8 A 1020 189 B2 831  
9 A 1014 779 B2 235  
10 A 630        
11 A 549        
12 A 209        
The calculated vibrational frequencies were scaled by 0.9668

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.