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Compare vibrational frequencies in CCCBDB for C2Cl6 (hexachloroethane)

MP2=FULL/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 A1g 1018 951   -24 A1g   975  
2 A1g 454 424   -7 A1g   431  
3 A1g 234 219   49 A1g   170  
4 A1u 93 87   26 A1u   61  
5 A2u 717 670   -5 A2u   675  
6 A2u 400 373   1 A2u   372  
7 Eg 918 858   -1 Eg   859  
8 Eg 361 337   -3 Eg   340  
9 Eg 237 222   -1 Eg   223  
10 Eu 834 779   1 Eu   778  
11 Eu 296 277   6 Eu   271  
12 Eu 175 163   -6 Eu   169  
The calculated vibrational frequencies were scaled by 0.9344

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.