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

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

HF/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1121 31 A1 1090  
2 A1 608 -15 A1 623  
3 A1 330 190 A1 140  
4 A1 167 -1 A1 168  
5 A2 278 -3 A2 281  
6 B1 1210 57 B1 1153  
7 B1 354 -15 B1 369  
8 B2 821 -10 B2 831  
9 B2 320 85 B2 235  
The calculated vibrational frequencies were scaled by 0.8985

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.