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

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

MP2/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3594 2504 A1 1090  
2 A 3448 2825 A1 623  
3 A 2902 2762 A1 140  
4 A 1689 1521 A1 168  
5 A 1556 1275 A2 281  
6 A 1357 204 B1 1153  
7 A 1220 851 B1 369  
8 A 1009 178 B2 831  
9 A 981 746 B2 235  
10 A 592        
11 A 533        
12 A 177        
The calculated vibrational frequencies were scaled by 0.9406

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.