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Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

CCSD(T)/6-31G**

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A' 3972 3767   32 A'   3735  
2 A' 3861 3662   2 A'   3660  
3 A' 3825 3628   27 A'   3601  
4 A' 1724 1636   20 A'   1616  
5 A' 1692 1605   6 A'   1599  
6 A' 418 397   86 A'   311  
7 A' 201 190   47 A'   143  
8 A' 142 134   31 A'   103  
9 A" 3979 3775   30 A"   3745  
10 A" 644 611   88 A"   523  
11 A" 166 157   49 A"   108  
12 A" 88 84   -4 A"   88  
The calculated vibrational frequencies were scaled by 0.9485

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.