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Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

MP2=FULL/3-21G*

17 05 22 16 49
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3444 -291 A' 3735  
2 A' 3338 -322 A' 3660  
3 A' 3263 -338 A' 3601  
4 A' 1695 79 A' 1616  
5 A' 1630 31 A' 1599  
6 A' 503 192 A' 311  
7 A' 266 123 A' 143  
8 A' 206 103 A' 103  
9 A" 3478 -267 A" 3745  
10 A" 806 283 A" 523  
11 A" 213 105 A" 108  
12 A" 131 43 A" 88  
The calculated vibrational frequencies were scaled by 0.948

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.