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Compare vibrational frequencies in CCCBDB for CH2CHSH (Ethenethiol)

MP2/CEP-31G*

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3133        
2 A' 3072        
3 A' 3033        
4 A' 2616        
5 A' 1576 -27 A' 1603  
6 A' 1366        
7 A' 1242        
8 A' 1031        
9 A' 864        
10 A' 692        
11 A' 359        
12 A" 927 -30 A" 957  
13 A" 758 -214 A" 972  
14 A" 561        
15 A" 239        
The calculated vibrational frequencies were scaled by 0.9494

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.