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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

BLYP/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3661 -74 A' 3735  
2 A' 3594 -66 A' 3660  
3 A' 3475 -126 A' 3601  
4 A' 1658 42 A' 1616  
5 A' 1624 25 A' 1599  
6 A' 421 110 A' 311  
7 A' 215 72 A' 143  
8 A' 142 39 A' 103  
9 A" 3693 -52 A" 3745  
10 A" 681 158 A" 523  
11 A" 203 95 A" 108  
12 A" 127i -215 A" 88  
The calculated vibrational frequencies were scaled by 1.0016

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.