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

Compare vibrational frequencies in CCCBDB for CH2CH2OH (2-hydroxy ethyl radical)

BLYP/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3265 -361 A' 3626  
2 A 3189        
3 A 3076 234 A' 2843  
4 A 2829        
5 A 2745        
6 A 1506 151 A' 1355  
7 A 1429 257 A' 1173  
8 A 1402 362 A' 1040  
9 A 1246        
10 A 1158        
11 A 1053        
12 A 992 -1999 A" 2991  
13 A 918 -2004 A" 2922  
14 A 812        
15 A 433        
16 A 379        
17 A 279        
18 A 146        
The calculated vibrational frequencies were scaled by 0.9935

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.