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

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

CID/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3500 2410 A1 1090  
2 A 3379 2756 A1 623  
3 A 2836 2696 A1 140  
4 A 1690 1522 A1 168  
5 A 1618 1337 A2 281  
6 A 1401 248 B1 1153  
7 A 1210 841 B1 369  
8 A 1040 209 B2 831  
9 A 1023 788 B2 235  
10 A 608        
11 A 549        
12 A 421        
The calculated vibrational frequencies were scaled by 0.9316

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.