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Compare vibrational frequencies in CCCBDB for C3F6 (hexafluoropropene)

G3

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' 2052 2052   256 A'   1796  
2 A' 1573 1573   175 A'   1398  
3 A' 1503 1503   169 A'   1334  
4 A' 1405 1405   193 A'   1212  
5 A' 1342 1342   225 A'   1117  
6 A' 1148 1148   112 A'   1036  
7 A' 841 841   75 A'   766  
8 A' 715 715   61 A'   654  
9 A' 656 656   52 A'   604  
10 A' 557 557   45 A'   512  
11 A' 401 401   24 A'   377  
12 A' 393 393   28 A'   365  
13 A' 274 274   -15 A'   289  
14 A' 190 190   19 A'   171  
15 A" 1376 1376   198 A"   1178  
16 A" 739 739   91 A"   648  
17 A" 634 634   75 A"   559  
18 A" 512 512   51 A"   461  
19 A" 267 267   12 A"   255  
20 A" 141 141   15 A"   126  
21 A" 41 41   -19 A"   60  
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.