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

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

CCD/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3547 2457 A1 1090  
2 A 3416 2793 A1 623  
3 A 2820 2680 A1 140  
4 A 1744 1576 A1 168  
5 A 1539 1258 A2 281  
6 A 1359 206 B1 1153  
7 A 1211 842 B1 369  
8 A 1014 183 B2 831  
9 A 1002 767 B2 235  
10 A 593        
11 A 539        
12 A 129        
The calculated vibrational frequencies were scaled by 0.9337

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.