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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

mPW1PW91/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3740 5 A' 3735  
2 A' 3664 4 A' 3660  
3 A' 3533 -68 A' 3601  
4 A' 1675 59 A' 1616  
5 A' 1648 49 A' 1599  
6 A' 426 115 A' 311  
7 A' 218 75 A' 143  
8 A' 144 41 A' 103  
9 A" 3773 28 A" 3745  
10 A" 723 200 A" 523  
11 A" 181 73 A" 108  
12 A" 58 -30 A" 88  
The calculated vibrational frequencies were scaled by 0.9544

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.