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Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

HF/3-21G

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' 3908 3540   -195 A'   3735  
2 A' 3833 3471   -189 A'   3660  
3 A' 3729 3377   -224 A'   3601  
4 A' 1854 1679   63 A'   1616  
5 A' 1793 1623   24 A'   1599  
6 A' 490 444   133 A'   311  
7 A' 245 222   79 A'   143  
8 A' 201 182   79 A'   103  
9 A" 3962 3588   -157 A"   3745  
10 A" 832 753   230 A"   523  
11 A" 205 185   77 A"   108  
12 A" 151 137   49 A"   88  
The calculated vibrational frequencies were scaled by 0.9056

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.