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Compare vibrational frequencies in CCCBDB for CF2CCl2 (difluorodichloroethylene)

B1B95/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 A1 1825 1611   -138 A1   1749  
2 A1 1104 975   -57 A1   1032  
3 A1 611 539   -83 A1   622  
4 A1 417 368   -66 A1   434  
5 A1 235 208   -50 A1   258  
6 A2 147 130   -37 A2   167  
7 B1 553 488   -76 B1   564 B1 and B2 switched
8 B1 295 261   -62 B1   323 B1 and B2 switched
9 B2 1483 1310   -17 B2   1327 B1 and B2 switched
10 B2 1084 957   -32 B2   989 B1 and B2 switched
11 B2 448 396   -63 B2   459 B1 and B2 switched
12 B2 151 133   -59 B2   192 B1 and B2 switched
The calculated vibrational frequencies were scaled by 0.883

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.