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Compare vibrational frequencies in CCCBDB for F2CCCF2 (tetrafluoroallene)

MP4/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 1576 1524   -36 A1   1560  
2 B1 153 148   -586 A1   734  
3 B2 2124 2054   1656 A1   398  
4 B2 1040 1006   841 B1   165  
5 B2 723 699   -1353 B2   2052  
6 B2 577 558   -472 B2   1030  
7 B2 388 375   -206 B2   581  
8 E 1280 1238   -10 E   1248  
9 E 620 600   -13 E   613  
10 E 542 524   -26 E   550  
11 E 83 80   -10 E   90  
The calculated vibrational frequencies were scaled by 0.9669

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.