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

Compare vibrational frequencies in CCCBDB for S8 (Octasulfur)

LSDA/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 403 -72 A1 475 reference obscure
2 A1 162 -56 A1 218  
3 B1 271 -140 B1 411  
4 B2 162 -81 B2 243  
5 E1 400 -71 E1 471  
6 E1 144 -47 E1 191  
7 E2 402 -73 E2 475  
8 E2 102 -50 E2 152  
9 E2 55 -1 E2 56  
10 E3 337 -100 E3 437  
11 E3 183 -65 E3 248  
The calculated vibrational frequencies were scaled by 0.9836

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.