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Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

PBE1PBE/aug-cc-pVTZ

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' 3931 3779   44 A'   3735  
2 A' 3848 3700   40 A'   3660  
3 A' 3716 3573   -28 A'   3601  
4 A' 1654 1590   -26 A'   1616  
5 A' 1634 1571   -28 A'   1599  
6 A' 376 361   50 A'   311  
7 A' 193 186   43 A'   143  
8 A' 161 155   52 A'   103  
9 A" 3950 3798   53 A"   3745  
10 A" 645 620   97 A"   523  
11 A" 159 153   45 A"   108  
12 A" 134 129   41 A"   88  
The calculated vibrational frequencies were scaled by 0.9615

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.