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

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

MP2/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3623 2533 A1 1090  
2 A 3471 2848 A1 623  
3 A 2955 2815 A1 140  
4 A 1641 1473 A1 168  
5 A 1584 1303 A2 281  
6 A 1361 208 B1 1153  
7 A 1224 855 B1 369  
8 A 1016 185 B2 831  
9 A 977 742 B2 235  
10 A 628        
11 A 524        
12 A 467        
The calculated vibrational frequencies were scaled by 0.9653

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.