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Compare vibrational frequencies in CCCBDB for CH3SOCH3 (Dimethyl sulfoxide)

HF/6-31G

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A' 3364 3037   27 A'   3010  
2 A' 3357 3031   21 A'   3010  
3 A' 3242 2927   -6 A'   2933  
4 A' 1630 1472   53 A'   1419  
5 A' 1615 1458   53 A'   1405  
6 A' 1528 1380   76 A'   1304  
7 A' 1174 1060   -42 A'   1102  
8 A' 1126 1016   0 A'   1016  
9 A' 713 644   -362 A'   1006  
10 A' 638 576   -96 A'   672  
11 A' 300 270   -112 A'   382  
12 A' 246 222   -86 A'   308  
13 A' 184 166         
14 A" 3364 3037   27 A"   3010  
15 A" 3356 3030   20 A"   3010  
16 A" 3241 2927   -6 A"   2933  
17 A" 1617 1460   5 A"   1455  
18 A" 1604 1448   8 A"   1440  
19 A" 1503 1357   38 A"   1319  
20 A" 1086 981   28 A"   953  
21 A" 1048 946   13 A"   933  
22 A" 750 678   -17 A"   695  
23 A" 236 213   -120 A"   333  
24 A" 158 142         
The calculated vibrational frequencies were scaled by 0.9029

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.