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Compare vibrational frequencies in CCCBDB for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

B2PLYP=FULLultrafine/STO-3G

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A' 3520 3520   406 A'   3114  
2 A' 3419 3419   317 A'   3102  
3 A' 1811 1811   150 A'   1661  
4 A' 1474 1474   139 A'   1335  
5 A' 1314 1314   83 A'   1231  
6 A' 1156 1156   94 A'   1062  
7 A' 858 858   46 A'   812  
8 A' 668 668   12 A'   656  
9 A' 177 177   -28 A'   205  
10 A" 934 934   77 A"   857  
11 A" 762 762   27 A"   735  
12 A" 435 435   -7 A"   442  
The calculated vibrational frequencies were scaled by 1

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.