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Compare vibrational frequencies in CCCBDB for SiCl3CH3 (methyltrichlorosilane)

MP2/CEP-121G

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 A1 2990 2919   -3 A1   2922  
2 A1 1389 1355   83 A1   1272  
3 A1 725 708   -55 A1   763  
4 A1 376 367   -91 A1   458  
5 A1 195 190           
6 A2 185 181           
7 E 3116 3041   49 E   2992  
8 E 1466 1431   15 E   1416  
9 E 916 894   90 E   804  
10 E 508 496   -84 E   580  
11 E 192 187           
12 E 130 127           
The calculated vibrational frequencies were scaled by 0.976

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.