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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

BLYP/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3729 -6 A' 3735  
2 A' 3645 -15 A' 3660  
3 A' 3515 -86 A' 3601  
4 A' 1589 -27 A' 1616  
5 A' 1573 -26 A' 1599  
6 A' 384 73 A' 311  
7 A' 198 55 A' 143  
8 A' 166 63 A' 103  
9 A" 3759 14 A" 3745  
10 A" 670 147 A" 523  
11 A" 179 71 A" 108  
12 A" 139 51 A" 88  
The calculated vibrational frequencies were scaled by 0.9947

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.