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Compare vibrational frequencies in CCCBDB for C2Cl4 (Tetrachloroethylene)

BLYP/6-31G**

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 Ag 1550 1538   -33 Ag   1571  
2 Ag 424 421   -26 Ag   447  
3 Ag 233 231   -6 Ag   237  
4 Au 92 91   -19 Au   110  
5 B1u 730 724   -53 B1u   777  
6 B1u 304 302   -8 B1u   310  
7 B2g 492 488   -24 B2g   512  
8 B2u 826 819   -89 B2u   908  
9 B2u 174 172   -4 B2u   176  
10 B3g 909 902   -98 B3g   1000  
11 B3g 328 326   -21 B3g   347  
12 B3u 281 278   -10 B3u   288  
The calculated vibrational frequencies were scaled by 0.9923

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.