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Compare vibrational frequencies in CCCBDB for XeF4 (Xenon tetrafluoride)

HF/CEP-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 550 496   -59 A1g   554  
2 A2u 281 253   -38 A2u   291  
3 B1g 529 477   -47 B1g   524 was B2G
4 B2g 203 183   -35 B2g   218 was B1G
5 B2u 172 155   -61 B2u   216 was B1U
6 Eu 613 553   -33 Eu   586  
7 Eu 132 119   -42 Eu   161  
The calculated vibrational frequencies were scaled by 0.9014

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.