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Compare vibrational frequencies in CCCBDB for F2CCCF2 (tetrafluoroallene)

BLYP/STO-3G

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 1530 1415   -145 A1   1560  
2 A1 688 637   -97 A1   734  
3 A1 344 318   -80 A1   398  
4 B1 133 123   -42 B1   165  
5 B2 2049 1896   -156 B2   2052  
6 B2 1042 964   -66 B2   1030  
7 B2 497 460   -121 B2   581  
8 E 1282 1186   -62 E   1248  
9 E 530 490   -123 E   613  
10 E 500 463   -87 E   550  
11 E 75 70   -20 E   90  
The calculated vibrational frequencies were scaled by 0.9252

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.