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Compare vibrational frequencies in CCCBDB for CH3SeH (Methane selenol)

LSDA/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       -3027 A'   3027  
2       -2955 A'   2955  
3       -2330 A'   2330  
4       -1447 A'   1447  
5       -1288 A'   1288  
6       -980 A'   980  
7       -712 A'   712  
8       -590 A'   590  
9       -3032 A"   3032  
10       -1433 A"   1433  
11       -921 A"   921  
12       -145 A"   145  
The calculated vibrational frequencies were scaled by 0.9797

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.