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Compare vibrational frequencies in CCCBDB for C3F6 (hexafluoropropene)

HF/6-31G(2df,p)

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' 2036 1844   48 A'   1796  
2 A' 1561 1414   16 A'   1398  
3 A' 1497 1356   22 A'   1334  
4 A' 1399 1267   55 A'   1212  
5 A' 1345 1218   101 A'   1117  
6 A' 1153 1044   8 A'   1036  
7 A' 849 769   3 A'   766  
8 A' 723 655   1 A'   654  
9 A' 663 600   -4 A'   604  
10 A' 565 512   -0 A'   512  
11 A' 403 365   -12 A'   377  
12 A' 395 358   -7 A'   365  
13 A' 275 249   -40 A'   289  
14 A' 189 172   1 A'   171  
15 A" 1364 1235   57 A"   1178  
16 A" 776 703   55 A"   648  
17 A" 651 589   30 A"   559  
18 A" 522 472   11 A"   461  
19 A" 276 250   -5 A"   255  
20 A" 145 131   5 A"   126  
21 A" 46 41   -19 A"   60  
The calculated vibrational frequencies were scaled by 0.9055

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.