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

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

MP2/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3643 2553 A1 1090  
2 A 3487 2864 A1 623  
3 A 2960 2820 A1 140  
4 A 1640 1472 A1 168  
5 A 1572 1291 A2 281  
6 A 1342 189 B1 1153  
7 A 1218 849 B1 369  
8 A 1010 179 B2 831  
9 A 954 719 B2 235  
10 A 609        
11 A 519        
12 A 438        
The calculated vibrational frequencies were scaled by 0.9663

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.