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Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

QCISD(T)/TZVP

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' 3911 3767   32 A'   3735  
2 A' 3827 3686   26 A'   3660  
3 A' 3767 3629   28 A'   3601  
4 A' 1665 1604   -12 A'   1616  
5 A' 1638 1577   -22 A'   1599  
6 A' 377 363   52 A'   311  
7 A' 186 179   36 A'   143  
8 A' 170 164   61 A'   103  
9 A" 3932 3787   42 A"   3745  
10 A" 631 607   84 A"   523  
11 A" 148 143   35 A"   108  
12 A" 118 114   26 A"   88  
The calculated vibrational frequencies were scaled by 0.9632

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.