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

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

BLYP/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3199 -427 A' 3626  
2 A' 3042        
3 A' 2864 21 A' 2843  
4 A' 1503        
5 A' 1438        
6 A' 1398 43 A' 1355  
7 A' 1202 29 A' 1173  
8 A' 967 -74 A' 1040  
9 A' 905        
10 A' 465        
11 A' 312        
12 A" 3197 206 A" 2991  
13 A" 2951 28 A" 2922  
14 A" 1203        
15 A" 1059        
16 A" 761        
17 A" 235        
18 A" 99        
The calculated vibrational frequencies were scaled by 0.9252

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.