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Compare vibrational frequencies in CCCBDB for C2F4 (Tetrafluoroethylene)

MP2/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 Ag 1839 1604   -268 Ag   1872  
2 Ag 793 691   -87 Ag   778  
3 Ag 359 313   -81 Ag   394  
4 Au 193 168   -22 Au   190  
5 B1u 1250 1090   -96 B1u   1186  
6 B1u 507 442   -116 B1u   558  
7 B2g 425 371   -137 B2g   508  
8 B2u 1462 1275   -62 B2u   1337  
9 B2u 175 153   -65 B2u   218  
10 B3g 1536 1339   -1 B3g   1340  
11 B3g 543 473   -78 B3g   551  
12 B3u 402 351   -55 B3u   406  
The calculated vibrational frequencies were scaled by 0.8719

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.