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Compare vibrational frequencies in CCCBDB for C2Cl4 (Tetrachloroethylene)

BLYP/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 Ag 1542 1533   -38 Ag   1571  
2 Ag 423 421   -26 Ag   447  
3 Ag 232 231   -6 Ag   237  
4 Au 90 89   -21 Au   110  
5 B1u 727 723   -54 B1u   777  
6 B1u 305 303   -7 B1u   310  
7 B2g 491 488   -24 B2g   512  
8 B2u 821 817   -91 B2u   908  
9 B2u 173 172   -4 B2u   176  
10 B3g 903 898   -102 B3g   1000  
11 B3g 327 326   -21 B3g   347  
12 B3u 279 277   -11 B3u   288  
The calculated vibrational frequencies were scaled by 0.9947

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.