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Compare vibrational frequencies in CCCBDB for C3F6 (hexafluoropropene)

B1B95/6-31+G**

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' 1880 1799   3 A'   1796  
2 A' 1430 1368   -30 A'   1398  
3 A' 1373 1313   -21 A'   1334  
4 A' 1245 1191   -21 A'   1212  
5 A' 1239 1186   69 A'   1117  
6 A' 1056 1010   -26 A'   1036  
7 A' 777 743   -23 A'   766  
8 A' 657 629   -25 A'   654  
9 A' 600 574   -30 A'   604  
10 A' 513 490   -22 A'   512  
11 A' 369 353   -24 A'   377  
12 A' 360 344   -21 A'   365  
13 A' 244 234   -55 A'   289  
14 A' 205 196   25 A'   171  
15 A" 1198 1146   -32 A"   1178  
16 A" 660 632   -16 A"   648  
17 A" 568 543   -16 A"   559  
18 A" 460 440   -21 A"   461  
19 A" 242 232   -23 A"   255  
20 A" 123 118   -8 A"   126  
21 A" 26 25   -35 A"   60  
The calculated vibrational frequencies were scaled by 0.9566

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.