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

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

B1B95/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3621 2531 A1 1090  
2 A 3484 2861 A1 623  
3 A 2841 2701 A1 140  
4 A 1782 1614 A1 168  
5 A 1560 1279 A2 281  
6 A 1371 218 B1 1153  
7 A 1234 865 B1 369  
8 A 1021 190 B2 831  
9 A 1014 779 B2 235  
10 A 630        
11 A 544        
12 A 216        
The calculated vibrational frequencies were scaled by 0.9601

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.