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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

QCISD/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3760 25 A' 3735  
2 A' 3663 3 A' 3660  
3 A' 3619 18 A' 3601  
4 A' 1588 -28 A' 1616  
5 A' 1567 -32 A' 1599  
6 A' 341 30 A' 311  
7 A' 185 42 A' 143  
8 A' 157 54 A' 103  
9 A" 3780 35 A" 3745  
10 A" 617 94 A" 523  
11 A" 161 53 A" 108  
12 A" 134 46 A" 88  
The calculated vibrational frequencies were scaled by 0.9454

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.