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Compare vibrational frequencies in CCCBDB for CH2NH (Methanimine)

G3MP2

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' 3714 3714   452 A'   3263  
2 A' 3349 3349   325 A'   3024  
3 A' 3251 3251   337 A'   2914  
4 A' 1900 1900   262 A'   1638  
5 A' 1628 1628   176 A'   1452  
6 A' 1498 1498   153 A'   1344  
7 A' 1162 1162   103 A'   1058  
8 A" 1273 1273   146 A"   1127  
9 A" 1223 1223   162 A"   1061  
The calculated vibrational frequencies were scaled by 1

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.