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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3LYP/3-21G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3380 -355 A' 3735  
2 A' 3322 -338 A' 3660  
3 A' 3136 -465 A' 3601  
4 A' 1684 68 A' 1616  
5 A' 1621 22 A' 1599  
6 A' 535 224 A' 311  
7 A' 286 143 A' 143  
8 A' 202 99 A' 103  
9 A" 3448 -297 A" 3745  
10 A" 855 332 A" 523  
11 A" 224 116 A" 108  
12 A" 86 -2 A" 88  
The calculated vibrational frequencies were scaled by 0.962

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.