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Compare vibrational frequencies in CCCBDB for C3F6 (hexafluoropropene)

B1B95/6-311+G(3df,2p)

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' 1867 1867   71 A'   1796  
2 A' 1424 1424   26 A'   1398  
3 A' 1367 1367   33 A'   1334  
4 A' 1248 1248   36 A'   1212  
5 A' 1233 1233   116 A'   1117  
6 A' 1063 1063   27 A'   1036  
7 A' 785 785   19 A'   766  
8 A' 669 669   15 A'   654  
9 A' 609 609   5 A'   604  
10 A' 522 522   10 A'   512  
11 A' 374 374   -3 A'   377  
12 A' 365 365   0 A'   365  
13 A' 250 250   -39 A'   289  
14 A' 209 209   38 A'   171  
15 A" 1188 1188   10 A"   1178  
16 A" 684 684   36 A"   648  
17 A" 582 582   23 A"   559  
18 A" 469 469   8 A"   461  
19 A" 249 249   -6 A"   255  
20 A" 126 126   -0 A"   126  
21 A" 36 36   -24 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.