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

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

QCISD/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1073 -17 A1 1090  
2 A1 552 -71 A1 623  
3 A1 294 154 A1 140  
4 A1 151 -17 A1 168  
5 A2 255 -26 A2 281  
6 B1 1195 42 B1 1153  
7 B1 326 -43 B1 369  
8 B2 759 -72 B2 831  
9 B2 295 60 B2 235  
The calculated vibrational frequencies were scaled by 0.9692

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.