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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3LYP/6-31G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3727 -8 A' 3735  
2 A' 3644 -16 A' 3660  
3 A' 3543 -58 A' 3601  
4 A' 1628 12 A' 1616  
5 A' 1596 -3 A' 1599  
6 A' 425 114 A' 311  
7 A' 210 67 A' 143  
8 A' 141 38 A' 103  
9 A" 3748 3 A" 3745  
10 A" 645 122 A" 523  
11 A" 168 60 A" 108  
12 A" 38 -50 A" 88  
The calculated vibrational frequencies were scaled by 0.9608

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.