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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B1B95/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3788 53 A' 3735  
2 A 3651 -9 A' 3660  
3 A' 3624 23 A' 3601  
4 A 691 -925 A' 1616  
5 A' 1571 -28 A' 1599  
6 A 181 -130 A' 311  
7 A' 182 39 A' 143  
8 A 3671 3568 A' 103  
9 A" 3810 65 A" 3745  
10 A 372 -151 A" 523  
11 A" 159 51 A" 108  
12 A 132 44 A" 88  
The calculated vibrational frequencies were scaled by 0.9601

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.