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

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

MP2=FULL/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3586 2496 A1 1090  
2 A 3451 2828 A1 623  
3 A 2858 2718 A1 140  
4 A 1740 1572 A1 168  
5 A 1548 1267 A2 281  
6 A 1370 217 B1 1153  
7 A 1222 853 B1 369  
8 A 1023 192 B2 831  
9 A 997 762 B2 235  
10 A 604        
11 A 538        
12 A 313        
The calculated vibrational frequencies were scaled by 0.9486

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.