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

Compare vibrational frequencies in CCCBDB for S8 (Octasulfur)

B2PLYP/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 448 -27 A1 475 reference obscure
2 B1 380 162 A1 218  
3 E1 441 30 B1 411  
4 E1 184 -287 E1 471  
5 E2 440 249 E1 191  
6 E2 236 -239 E2 475  
7 E2 140 -12 E2 152  
8 E2 70 14 E2 56  
9 E3 401 -36 E3 437  
10 E3 238 -10 E3 248  
The calculated vibrational frequencies were scaled by 0.9492

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.