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

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

CISD/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3580 2490 A1 1090  
2 A1 536 -87 A1 623  
3 A' 2904 2764 A1 140  
4 A1 155 -13 A1 168  
5 A' 1621 1340 A2 281  
6 B1 1107 -46 B1 1153  
7 A' 1245 876 B1 369  
8 B2 764 -67 B2 831  
9 A' 544 309 B2 235  
10 A" 1002        
11 A" 615        
12 A" 462        
The calculated vibrational frequencies were scaled by 0.9378

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.