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Compare vibrational frequencies in CCCBDB for CH3SeH (Methane selenol)

MP2=FULL/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' 3280 3065   38 A'   3027  
2 A' 3165 2957   2 A'   2955  
3 A' 2596 2426   96 A'   2330  
4 A' 1550 1448   1 A'   1447  
5 A' 1383 1292   4 A'   1288  
6 A' 1054 985   5 A'   980  
7 A' 767 716   4 A'   712  
8 A' 609 569   -21 A'   590  
9 A" 3290 3074   42 A"   3032  
10 A" 1538 1437   4 A"   1433  
11 A" 952 889   -32 A"   921  
12 A" 231 216   71 A"   145  
The calculated vibrational frequencies were scaled by 0.9344

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.