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Compare vibrational frequencies in CCCBDB for H3AlO3 (Aluminum hydroxide)

G2

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' 4179 4179           
2 A' 737 737           
3 A' 676 676           
4 A" 375 375           
5 A" 287 287           
6 E' 4176 4176   424 E'   3752  
7 E' 991 991   69 E'   922  
8 E' 696 696   41 E'   655  
9 E' 242 242           
10 E" 367 367           
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.