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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 3506 2416 A1 1090  
2 A 3369 2746 A1 623  
3 A 2781 2641 A1 140  
4 A 1742 1574 A1 168  
5 A 1570 1289 A2 281  
6 A 1373 220 B1 1153  
7 A 1252 883 B1 369  
8 A 1034 203 B2 831  
9 A 1029 794 B2 235  
10 A 683        
11 A 544        
12 A 523        
The calculated vibrational frequencies were scaled by 0.982

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.