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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3PW91/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3429 -306 A' 3735  
2 A' 3365 -295 A' 3660  
3 A' 3148 -453 A' 3601  
4 A' 1682 66 A' 1616  
5 A' 1618 19 A' 1599  
6 A' 546 235 A' 311  
7 A' 287 144 A' 143  
8 A' 207 104 A' 103  
9 A" 3494 -251 A" 3745  
10 A" 874 351 A" 523  
11 A" 227 119 A" 108  
12 A" 109 21 A" 88  
The calculated vibrational frequencies were scaled by 0.9594

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.