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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

MP2/aug-cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3731 -4 A' 3735  
2 A 3634 -26 A' 3660  
3 A' 3544 -57 A' 3601  
4 A 1573 -43 A' 1616  
5 A' 1552 -47 A' 1599  
6 A 346 35 A' 311  
7 A' 174 31 A' 143  
8 A 149 46 A' 103  
9 A" 3751 6 A" 3745  
10 A 601 78 A" 523  
11 A" 140 32 A" 108  
12 A 126 38 A" 88  
The calculated vibrational frequencies were scaled by 0.9529

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.