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Compare vibrational frequencies in CCCBDB for SF5Cl (sulfur chloropentafluoride)

mPW1PW91/aug-cc-pVDZ

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 851 815   -36 A1   851 SF str
2 A1 679 651   -55 A1   705 SF4 s-str
3 A1 571 548   -55 A1   603 SF4 op-deform
4 A1 395 379   -25 A1   404 SCl str
5 B1 453 434   -70 B1   504 SF4 ip-deform B2 orig.
6 B2 629 603   -19 B2   622 SF4 a-str B1 orig.
7 B2 317 304    B2     SF4 op-deform B1 orig.
8 E 928 889   -20 E   909 SF4 d-str
9 E 530 508   -85 E   592 SF bend
10 E 403 386   -54 E   441 SF4 ip-deform
11 E 249 239   -34 E   273 SCl bend
The calculated vibrational frequencies were scaled by 0.9583

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.