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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3PW91/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3690 -45 A' 3735  
2 A' 3601 -59 A' 3660  
3 A' 3489 -112 A' 3601  
4 A' 1669 53 A' 1616  
5 A' 1638 39 A' 1599  
6 A' 436 125 A' 311  
7 A' 218 75 A' 143  
8 A' 148 45 A' 103  
9 A" 3715 -30 A" 3745  
10 A" 665 142 A" 523  
11 A" 170 62 A" 108  
12 A" 71 -17 A" 88  
The calculated vibrational frequencies were scaled by 0.9567

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.