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Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

CID/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' 3865 3614   -121 A'   3735  
2 A' 3760 3516   -144 A'   3660  
3 A' 3684 3445   -156 A'   3601  
4 A' 1736 1623   7 A'   1616  
5 A' 1703 1593   -6 A'   1599  
6 A' 399 373   62 A'   311  
7 A' 203 190   47 A'   143  
8 A' 158 148   45 A'   103  
9 A" 3907 3654   -91 A"   3745  
10 A" 719 673   150 A"   523  
11 A" 157 147   39 A"   108  
12 A" 128 120   32 A"   88  
The calculated vibrational frequencies were scaled by 0.9352

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.