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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3PW91/6-31G(2df,p)

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3766 31 A' 3735  
2 A' 3686 26 A' 3660  
3 A' 3574 -27 A' 3601  
4 A' 1629 13 A' 1616  
5 A' 1598 -1 A' 1599  
6 A' 417 106 A' 311  
7 A' 206 63 A' 143  
8 A' 155 52 A' 103  
9 A" 3784 39 A" 3745  
10 A" 629 106 A" 523  
11 A" 168 60 A" 108  
12 A" 56 -32 A" 88  
The calculated vibrational frequencies were scaled by 0.9614

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.