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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

MP2/LANL2DZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3694 -41 A' 3735  
2 A 3561 -99 A' 3660  
3 A' 3447 -154 A' 3601  
4 A 1616 -0 A' 1616  
5 A' 1592 -7 A' 1599  
6 A 407 96 A' 311  
7 A' 209 66 A' 143  
8 A 202 99 A' 103  
9 A" 3733 -12 A" 3745  
10 A 759 236 A" 523  
11 A" 183 75 A" 108  
12 A 135 47 A" 88  
The calculated vibrational frequencies were scaled by 0.9631

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.