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Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

CCSD(T)/aug-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' 3876 3731   -4 A'   3735  
2 A' 3782 3640   -20 A'   3660  
3 A' 3713 3574   -27 A'   3601  
4 A' 1658 1596   -20 A'   1616  
5 A' 1639 1578   -21 A'   1599  
6 A' 355 342   31 A'   311  
7 A' 183 176   33 A'   143  
8 A' 147 141   38 A'   103  
9 A" 3896 3750   5 A"   3745  
10 A" 630 606   83 A"   523  
11 A" 145 140   32 A"   108  
12 A" 131 126   38 A"   88  
The calculated vibrational frequencies were scaled by 0.9625

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.