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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

mPW1PW91/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3689 -46 A' 3735  
2 A' 3598 -62 A' 3660  
3 A' 3491 -110 A' 3601  
4 A' 1662 46 A' 1616  
5 A' 1633 34 A' 1599  
6 A' 440 129 A' 311  
7 A' 222 79 A' 143  
8 A' 138 35 A' 103  
9 A" 3710 -35 A" 3745  
10 A" 663 140 A" 523  
11 A" 165 57 A" 108  
12 A" 50 -38 A" 88  
The calculated vibrational frequencies were scaled by 0.9483

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.