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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for AlH4- (Aluminum tetrahydride anion)


Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 1649        
2 A1 1649 899 E 750  
3 E 714 -36 E 750  
4 E 714 -913 T2 1628  
5 T2 1586 815 T2 771  
6 T2 1586        
7 T2 728        
8 T2 728        
The calculated vibrational frequencies were scaled by 0.951

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.