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Compare vibrational frequencies in CCCBDB for F2CCCF2 (tetrafluoroallene)

MP2=FULL/aug-cc-pVDZ

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 1571 1522   -38 A1   1560  
2 A1 717 695   -39 A1   734  
3 A1 386 374   -24 A1   398  
4 B1 154 149   -16 B1   165  
5 B2 2122 2057   5 B2   2052  
6 B2 1026 994   -36 B2   1030  
7 B2 569 551   -30 B2   581  
8 E 1229 1191   -57 E   1248  
9 E 620 601   -12 E   613  
10 E 548 532   -18 E   550  
11 E 65 63   -27 E   90  
The calculated vibrational frequencies were scaled by 0.9692

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.