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

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

HF/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3620 2530 A1 1090  
2 A 3472 2849 A1 623  
3 A 2950 2810 A1 140  
4 A 1678 1510 A1 168  
5 A 1634 1353 A2 281  
6 A 1382 229 B1 1153  
7 A 1245 876 B1 369  
8 A 1055 224 B2 831  
9 A 1045 810 B2 235  
10 A 624        
11 A 544        
12 A 494        
The calculated vibrational frequencies were scaled by 0.9125

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.