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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

mPW1PW91/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3779 44 A' 3735  
2 A' 3692 32 A' 3660  
3 A' 3569 -32 A' 3601  
4 A' 1569 -47 A' 1616  
5 A' 1552 -47 A' 1599  
6 A' 380 69 A' 311  
7 A' 199 56 A' 143  
8 A' 165 62 A' 103  
9 A" 3805 60 A" 3745  
10 A" 665 142 A" 523  
11 A" 176 68 A" 108  
12 A" 141 53 A" 88  
The calculated vibrational frequencies were scaled by 0.9518

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.