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

Compare vibrational frequencies in CCCBDB for S8 (Octasulfur)

MP2/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 371 -104 A1 475 reference obscure
2 A1 160 -58 A1 218  
3 B1 352 -59 B1 411  
4 B2 188 -55 B2 243  
5 E1 370 -101 E1 471  
6 E1 146 -45 E1 191  
7 E2 384 -91 E2 475  
8 E2 116 -36 E2 152  
9 E2 55 -1 E2 56  
10 E3 367 -70 E3 437  
11 E3 186 -62 E3 248  
The calculated vibrational frequencies were scaled by 0.976

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.