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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

BLYP/6-31G(2df,p)

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3701 -34 A' 3735  
2 A' 3626 -34 A' 3660  
3 A' 3509 -92 A' 3601  
4 A' 1657 41 A' 1616  
5 A' 1625 26 A' 1599  
6 A' 430 119 A' 311  
7 A' 213 70 A' 143  
8 A' 150 47 A' 103  
9 A" 3724 -21 A" 3745  
10 A" 638 115 A" 523  
11 A" 174 66 A" 108  
12 A" 97i -185 A" 88  
The calculated vibrational frequencies were scaled by 0.9945

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.