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Compare vibrational frequencies in CCCBDB for CH3SiH3 (methyl silane)

B3LYP/CEP-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 A1 3039 2943   45 A1   2898  
2 A1 2121 2054   -112 A1   2166  
3 A1 1344 1301   41 A1   1260  
4 A1 897 869   -71 A1   940  
5 A1 676 655   -45 A1   700  
6 A2 153 148   -39 A2   187  
7 E 3133 3034   52 E   2982  
8 E 2143 2076   -93 E   2169  
9 E 1485 1438   35 E   1403  
10 E 933 904   -76 E   980  
11 E 915 886   18 E   868  
12 E 522 506   -34 E   540  
The calculated vibrational frequencies were scaled by 0.9684

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.