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Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

wB97X-D/cc-pVDZ

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' 3923 3737   2 A'   3735  
2 A' 3842 3660   0 A'   3660  
3 A' 3748 3570   -31 A'   3601  
4 A' 1698 1617   1 A'   1616  
5 A' 1661 1583   -16 A'   1599  
6 A' 426 406   95 A'   311  
7 A' 216 205   62 A'   143  
8 A' 152 145   42 A'   103  
9 A" 3944 3757   12 A"   3745  
10 A" 682 650   127 A"   523  
11 A" 182 173   65 A"   108  
12 A" 63 60   -28 A"   88  
The calculated vibrational frequencies were scaled by 0.9526

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.