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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

CCD/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3438 -297 A' 3735  
2 A' 3349 -311 A' 3660  
3 A' 3305 -296 A' 3601  
4 A' 1718 102 A' 1616  
5 A' 1657 58 A' 1599  
6 A' 492 181 A' 311  
7 A' 259 116 A' 143  
8 A' 207 104 A' 103  
9 A" 3476 -269 A" 3745  
10 A" 785 262 A" 523  
11 A" 213 105 A" 108  
12 A" 134 46 A" 88  
The calculated vibrational frequencies were scaled by 0.9565

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.