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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

QCISD/3-21G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3458 -277 A' 3735  
2 A' 3361 -299 A' 3660  
3 A' 3320 -281 A' 3601  
4 A' 1735 119 A' 1616  
5 A' 1672 73 A' 1599  
6 A' 503 192 A' 311  
7 A' 265 122 A' 143  
8 A' 209 106 A' 103  
9 A" 3492 -253 A" 3745  
10 A" 797 274 A" 523  
11 A" 217 109 A" 108  
12 A" 132 44 A" 88  
The calculated vibrational frequencies were scaled by 0.9692

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.