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

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

CCSD/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3534 2444 A1 1090  
2 A 3412 2789 A1 623  
3 A 2862 2722 A1 140  
4 A 1759 1591 A1 168  
5 A 1571 1290 A2 281  
6 A 1379 226 B1 1153  
7 A 1236 867 B1 369  
8 A 1034 203 B2 831  
9 A 998 763 B2 235  
10 A 598        
11 A 539        
12 A 253        
The calculated vibrational frequencies were scaled by 0.9443

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.