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Compare vibrational frequencies in CCCBDB for CF3OH (trifluoromethanol)

G2

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' 4091 4091   416 A'   3675  
2 A' 1583 1583   182 A'   1401  
3 A' 1482 1482   199 A'   1283  
4 A' 1258 1258   141 A'   1117  
5 A' 995 995   90 A'   905  
6 A' 691 691   56 A'   635  
7 A' 653 653           
8 A' 479 479   39 A'   440  
9 A" 1383 1383   196 A"   1187  
10 A" 680 680           
11 A" 494 494           
12 A" 264 264           
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.