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

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

MP4/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3549 2459 A1 1090  
2 A 3421 2798 A1 623  
3 A 2851 2711 A1 140  
4 A 1719 1551 A1 168  
5 A 1573 1292 A2 281  
6 A 1366 213 B1 1153  
7 A 1234 865 B1 369  
8 A 1025 194 B2 831  
9 A 983 748 B2 235  
10 A 607        
11 A 533        
12 A 270        
The calculated vibrational frequencies were scaled by 0.9548

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.