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

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

MP2/6-31G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3600 2510 A1 1090  
2 A 3456 2833 A1 623  
3 A 2872 2732 A1 140  
4 A 1724 1556 A1 168  
5 A 1553 1272 A2 281  
6 A 1366 213 B1 1153  
7 A 1222 853 B1 369  
8 A 1006 175 B2 831  
9 A 991 756 B2 235  
10 A 608        
11 A 529        
12 A 121        
The calculated vibrational frequencies were scaled by 0.9365

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.