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

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

B3LYP/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3595 2505 A1 1090  
2 A 3450 2827 A1 623  
3 A 2826 2686 A1 140  
4 A 1775 1607 A1 168  
5 A 1534 1253 A2 281  
6 A 1366 213 B1 1153  
7 A 1232 863 B1 369  
8 A 1018 187 B2 831  
9 A 1011 776 B2 235  
10 A 631        
11 A 549        
12 A 64        
The calculated vibrational frequencies were scaled by 0.97

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.