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

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

LSDA/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3512 2422 A1 1090  
2 A 3374 2751 A1 623  
3 A 2785 2645 A1 140  
4 A 1745 1577 A1 168  
5 A 1573 1292 A2 281  
6 A 1375 222 B1 1153  
7 A 1254 885 B1 369  
8 A 1036 205 B2 831  
9 A 1031 796 B2 235  
10 A 684        
11 A 545        
12 A 524        
The calculated vibrational frequencies were scaled by 0.9836

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.