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

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

B1B95/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3429 2339 A1 1090  
2 A 3240 2617 A1 623  
3 A 2861 2721 A1 140  
4 A 1701 1533 A1 168  
5 A 1551 1270 A2 281  
6 A 1311 158 B1 1153  
7 A 1141 772 B1 369  
8 A 979 148 B2 831  
9 A 862 627 B2 235  
10 A 516        
11 A 470        
12 A 376        
The calculated vibrational frequencies were scaled by 0.883

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.