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Compare vibrational frequencies in CCCBDB for CF2CCl2 (difluorodichloroethylene)

LSDA/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       -1749 A1   1749  
2       -1032 A1   1032  
3       -622 A1   622  
4       -434 A1   434  
5       -258 A1   258  
6       -167 A2   167  
7       -564 B1   564 B1 and B2 switched
8       -323 B1   323 B1 and B2 switched
9       -1327 B2   1327 B1 and B2 switched
10       -989 B2   989 B1 and B2 switched
11       -459 B2   459 B1 and B2 switched
12       -192 B2   192 B1 and B2 switched
The calculated vibrational frequencies were scaled by 0.8955

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.