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Compare vibrational frequencies in CCCBDB for C3F6 (hexafluoropropene)

HF/6-311G**

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' 2038 1851   55 A'   1796  
2 A' 1557 1415   17 A'   1398  
3 A' 1486 1350   16 A'   1334  
4 A' 1385 1258   46 A'   1212  
5 A' 1329 1207   90 A'   1117  
6 A' 1143 1038   2 A'   1036  
7 A' 846 768   2 A'   766  
8 A' 722 656   2 A'   654  
9 A' 661 601   -3 A'   604  
10 A' 564 512   0 A'   512  
11 A' 404 367   -10 A'   377  
12 A' 395 359   -6 A'   365  
13 A' 279 254   -35 A'   289  
14 A' 189 172   1 A'   171  
15 A" 1353 1229   51 A"   1178  
16 A" 772 701   53 A"   648  
17 A" 646 587   28 A"   559  
18 A" 521 473   12 A"   461  
19 A" 275 250   -5 A"   255  
20 A" 144 131   5 A"   126  
21 A" 43 40   -20 A"   60  
The calculated vibrational frequencies were scaled by 0.9085

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.