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Compare vibrational frequencies in CCCBDB for CF2CCl2 (difluorodichloroethylene)

B1B95/6-31G(2df,p)

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 1833 1755   6 A1   1749  
2 A1 1085 1039   7 A1   1032  
3 A1 646 619   -3 A1   622  
4 A1 445 426   -8 A1   434  
5 A1 254 244   -14 A1   258  
6 A2 159 152   -15 A2   167  
7 B1 632 605   41 B1   564 B1 and B2 switched
8 B1 331 317   -6 B1   323 B1 and B2 switched
9 B2 1408 1348   21 B2   1327 B1 and B2 switched
10 B2 1012 969   -20 B2   989 B1 and B2 switched
11 B2 467 448   -11 B2   459 B1 and B2 switched
12 B2 176 169   -23 B2   192 B1 and B2 switched
The calculated vibrational frequencies were scaled by 0.9577

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.