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

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

MP3/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3551 2461 A1 1090  
2 A 3431 2808 A1 623  
3 A 2875 2735 A1 140  
4 A 1783 1615 A1 168  
5 A 1572 1291 A2 281  
6 A 1386 233 B1 1153  
7 A 1238 869 B1 369  
8 A 1036 205 B2 831  
9 A 1003 768 B2 235  
10 A 598        
11 A 542        
12 A 231        
The calculated vibrational frequencies were scaled by 0.9386

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.