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Compare vibrational frequencies in CCCBDB for H3AlO3 (Aluminum hydroxide)

HSEh1PBE/3-21G

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' 3786 3647           
2 A' 765 737           
3 A' 509 490           
4 A" 293 283           
5 A" 246 237           
6 E' 3788 3649   -104 E'   3752  
7 E' 1026 988   67 E'   922  
8 E' 521 501   -154 E'   655  
9 E' 265 256           
10 E" 272 262           
The calculated vibrational frequencies were scaled by 0.9633

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.