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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for SF5Cl (sulfur chloropentafluoride)

HF/LANL2DZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 770 -85 A1 855 SF str
2 A1 571 -136 A1 707 SF4 s-str
3 A1 465 -137 A1 602 SF4 op-deform
4 A1 304 -98 A1 402 SCl str
5 B1 348 -277 B1 625 SF4 a-str
6 B2 566 295 B1 271 SF4 op-deform
7 B2 243 -262 B2 505 SF4 ip-deform
8 E 797 -112 E 909 SF4 d-str
9 E 408 -171 E 579 SF bend
10 E 302 -139 E 441 SF4 ip-deform
11 E 185 -212 E 397 SCl bend
The calculated vibrational frequencies were scaled by 0.8999

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.