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

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

MP2=FULL/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3510 2420 A1 1090  
2 A 3377 2754 A1 623  
3 A 2844 2704 A1 140  
4 A 1647 1479 A1 168  
5 A 1608 1327 A2 281  
6 A 1399 246 B1 1153  
7 A 1206 837 B1 369  
8 A 1032 201 B2 831  
9 A 1007 772 B2 235  
10 A 617        
11 A 542        
12 A 404        
The calculated vibrational frequencies were scaled by 0.948

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.