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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

HF/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3750 15 A' 3735  
2 A' 3635 -25 A' 3660  
3 A' 3541 -60 A' 3601  
4 A' 1584 -32 A' 1616  
5 A' 1564 -35 A' 1599  
6 A' 381 70 A' 311  
7 A' 195 52 A' 143  
8 A' 183 80 A' 103  
9 A" 3780 35 A" 3745  
10 A" 696 173 A" 523  
11 A" 174 66 A" 108  
12 A" 123 35 A" 88  
The calculated vibrational frequencies were scaled by 0.9004

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.