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Compare vibrational frequencies in CCCBDB for CF2CCl2 (difluorodichloroethylene)

MP2/6-31+G**

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 1800 1693   -56 A1   1749  
2 A1 1042 980   -52 A1   1032  
3 A1 625 588   -34 A1   622  
4 A1 440 414   -20 A1   434  
5 A1 268 252   -6 A1   258  
6 A2 153 144   -23 A2   167  
7 B1 542 510   -54 B1   564 B1 and B2 switched
8 B1 308 290   -33 B1   323 B1 and B2 switched
9 B2 1331 1252   -75 B2   1327 B1 and B2 switched
10 B2 1029 968   -21 B2   989 B1 and B2 switched
11 B2 459 431   -28 B2   459 B1 and B2 switched
12 B2 189 178   -14 B2   192 B1 and B2 switched
The calculated vibrational frequencies were scaled by 0.9406

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.