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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

CCD/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3772 37 A' 3735  
2 A' 3675 15 A' 3660  
3 A' 3632 31 A' 3601  
4 A' 1588 -28 A' 1616  
5 A' 1567 -32 A' 1599  
6 A' 338 27 A' 311  
7 A' 182 39 A' 143  
8 A' 154 51 A' 103  
9 A" 3790 45 A" 3745  
10 A" 613 90 A" 523  
11 A" 160 52 A" 108  
12 A" 132 44 A" 88  
The calculated vibrational frequencies were scaled by 0.9423

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.