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

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

CID/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3496 2406 A1 1090  
2 A 3375 2752 A1 623  
3 A 2832 2692 A1 140  
4 A 1688 1520 A1 168  
5 A 1616 1335 A2 281  
6 A 1399 246 B1 1153  
7 A 1209 840 B1 369  
8 A 1039 208 B2 831  
9 A 1022 787 B2 235  
10 A 607        
11 A 548        
12 A 420        
The calculated vibrational frequencies were scaled by 0.9305

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.