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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3LYP/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3748 13 A' 3735  
2 A' 3677 17 A' 3660  
3 A' 3580 -21 A' 3601  
4 A' 1607 -9 A' 1616  
5 A' 1580 -19 A' 1599  
6 A' 395 84 A' 311  
7 A' 197 54 A' 143  
8 A' 127 24 A' 103  
9 A" 3771 26 A" 3745  
10 A" 644 121 A" 523  
11 A" 170 62 A" 108  
12 A" 20i -108 A" 88  
The calculated vibrational frequencies were scaled by 0.9668

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.