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

Compare vibrational frequencies in CCCBDB for SF5Cl (sulfur chloropentafluoride)

QCISD(T)/cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 831 -24 A1 855 SF str
2 A1 678 -29 A1 707 SF4 s-str
3 A1 383 -219 A1 602 SF4 op-deform
4 B1 475 73 A1 402 SCl str
5 B2 321 -304 B1 625 SF4 a-str
6 E 893 622 B1 271 SF4 op-deform
7 E 893 388 B2 505 SF4 ip-deform
8 E 610 -299 E 909 SF4 d-str
9 E 547 -32 E 579 SF bend
10 E 416 -25 E 441 SF4 ip-deform
11 E 253 -144 E 397 SCl bend
The calculated vibrational frequencies were scaled by 0.9486

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.