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Compare vibrational frequencies in CCCBDB for CH3SeH (Methane selenol)

MP2=FULL/6-31G(2df,p)

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' 3244 3049   22 A'   3027  
2 A' 3141 2952   -3 A'   2955  
3 A' 2625 2467   137 A'   2330  
4 A' 1531 1439   -8 A'   1447  
5 A' 1354 1272   -16 A'   1288  
6 A' 1036 973   -7 A'   980  
7 A' 756 711   -1 A'   712  
8 A' 668 628   38 A'   590  
9 A" 3252 3056   24 A"   3032  
10 A" 1521 1430   -3 A"   1433  
11 A" 943 887   -34 A"   921  
12 A" 242 228   83 A"   145  
The calculated vibrational frequencies were scaled by 0.9399

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.