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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3LYP/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3719 -16 A' 3735  
2 A' 3644 -16 A' 3660  
3 A' 3527 -74 A' 3601  
4 A' 1679 63 A' 1616  
5 A' 1658 59 A' 1599  
6 A' 445 134 A' 311  
7 A' 222 79 A' 143  
8 A' 132 29 A' 103  
9 A" 3750 5 A" 3745  
10 A" 721 198 A" 523  
11 A" 182 74 A" 108  
12 A" 42i -130 A" 88  
The calculated vibrational frequencies were scaled by 0.9663

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.