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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3LYP/CEP-31G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3680 -55 A' 3735  
2 A' 3589 -71 A' 3660  
3 A' 3380 -221 A' 3601  
4 A' 1555 -61 A' 1616  
5 A' 1532 -67 A' 1599  
6 A' 431 120 A' 311  
7 A' 228 85 A' 143  
8 A' 209 106 A' 103  
9 A" 3748 3 A" 3745  
10 A" 791 268 A" 523  
11 A" 190 82 A" 108  
12 A" 142 54 A" 88  
The calculated vibrational frequencies were scaled by 0.9684

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.