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

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

MP2/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3585 2495 A1 1090  
2 A 3451 2828 A1 623  
3 A 2857 2717 A1 140  
4 A 1739 1571 A1 168  
5 A 1549 1268 A2 281  
6 A 1372 219 B1 1153  
7 A 1222 853 B1 369  
8 A 1024 193 B2 831  
9 A 996 761 B2 235  
10 A 603        
11 A 538        
12 A 328        
The calculated vibrational frequencies were scaled by 0.9502

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.