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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

MP2/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3700 -35 A' 3735  
2 A' 3566 -94 A' 3660  
3 A' 3453 -148 A' 3601  
4 A' 1618 2 A' 1616  
5 A' 1596 -3 A' 1599  
6 A' 410 99 A' 311  
7 A' 209 66 A' 143  
8 A' 195 92 A' 103  
9 A" 3740 -5 A" 3745  
10 A" 763 240 A" 523  
11 A" 185 77 A" 108  
12 A" 145 57 A" 88  
The calculated vibrational frequencies were scaled by 0.9653

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.