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Compare vibrational frequencies in CCCBDB for CF2CCl2 (difluorodichloroethylene)

HF/CEP-31G*

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 1997 1794   45 A1   1749  
2 A1 1140 1024   -8 A1   1032  
3 A1 682 613   -9 A1   622  
4 A1 468 420   -14 A1   434  
5 A1 274 246   -12 A1   258  
6 A2 170 152   -15 A2   167  
7 B1 662 594   30 B1   564 B1 and B2 switched
8 B1 351 315   -8 B1   323 B1 and B2 switched
9 B2 1501 1348   21 B2   1327 B1 and B2 switched
10 B2 1095 984   -5 B2   989 B1 and B2 switched
11 B2 492 442   -17 B2   459 B1 and B2 switched
12 B2 197 177   -15 B2   192 B1 and B2 switched
The calculated vibrational frequencies were scaled by 0.898

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.