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

Compare vibrational frequencies in CCCBDB for CH3OO (methylperoxy radical)

CCD/6-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3046 13 A' 3033  
2 A' 2936 -18 A' 2954  
3 A' 1481 28 A' 1453  
4 A' 1425 17 A' 1408  
5 A' 1176 -7 A' 1183  
6 A' 1127 10 A' 1117  
7 A' 864 -38 A' 902  
8 A' 451 -31 A' 482  
9 A" 3030 10 A" 3020  
10 A" 1466 25 A" 1441  
11 A" 1107        
12 A" 134 -36 A" 170  
The calculated vibrational frequencies were scaled by 0.9595

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.