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Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B2PLYP=FULLultrafine/6-31G*

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' 3855 3658   -77 A'   3735  
2 A' 3748 3556   -104 A'   3660  
3 A' 3677 3489   -112 A'   3601  
4 A' 1758 1667   51 A'   1616  
5 A' 1727 1638   39 A'   1599  
6 A' 455 431   120 A'   311  
7 A' 229 217   74 A'   143  
8 A' 137 130   27 A'   103  
9 A" 3870 3671   -74 A"   3745  
10 A" 682 647   124 A"   523  
11 A" 169 160   52 A"   108  
12 A" 43 41   -47 A"   88  
The calculated vibrational frequencies were scaled by 0.9487

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.