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Compare vibrational frequencies in CCCBDB for SF5Cl (sulfur chloropentafluoride)

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 A1 736 732   -119 A1   851 SF str
2 A1 590 587   -119 A1   705 SF4 s-str
3 A1 505 503   -100 A1   603 SF4 op-deform
4 A1 321 319   -85 A1   404 SCl str
5 B1 416 414   -90 B1   504 SF4 ip-deform B2 orig.
6 B2 539 537   -86 B2   622 SF4 a-str B1 orig.
7 B2 277 276    B2     SF4 op-deform B1 orig.
8 E 797 792   -117 E   909 SF4 d-str
9 E 478 476   -116 E   592 SF bend
10 E 364 362   -79 E   441 SF4 ip-deform
11 E 218 217   -56 E   273 SCl bend
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.