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Compare vibrational frequencies in CCCBDB for F2CCCF2 (tetrafluoroallene)

PBEPBE/6-31G

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 A1 1515 1494   -66 A1   1560  
2 A1 677 667   -67 A1   734  
3 A1 358 353   -45 A1   398  
4 B1 137 135   -30 B1   165  
5 B2 2119 2090   38 B2   2052  
6 B2 965 952   -78 B2   1030  
7 B2 520 513   -68 B2   581  
8 E 1158 1142   -106 E   1248  
9 E 602 594   -19 E   613  
10 E 510 503   -47 E   550  
11 E 87 86   -4 E   90  
The calculated vibrational frequencies were scaled by 0.9862

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.