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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

mPW1PW91/6-31G(2df,p)

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3770 35 A' 3735  
2 A' 3690 30 A' 3660  
3 A' 3579 -22 A' 3601  
4 A' 1625 9 A' 1616  
5 A' 1594 -5 A' 1599  
6 A' 419 108 A' 311  
7 A' 209 66 A' 143  
8 A' 153 50 A' 103  
9 A" 3787 42 A" 3745  
10 A" 631 108 A" 523  
11 A" 167 59 A" 108  
12 A" 48 -40 A" 88  
The calculated vibrational frequencies were scaled by 0.9547

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.