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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3LYP/cc-pVQZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3757 22 A' 3735  
2 A 3758 98 A' 3660  
3 A' 3577 -24 A' 3601  
4 A 3578 1962 A' 1616  
5 A' 1583 -16 A' 1599  
6 A 1583 1272 A' 311  
7 A' 180 37 A' 143  
8 A 364 261 A' 103  
9 A" 3775 30 A" 3745  
10 A 150 -373 A" 523  
11 A" 144 36 A" 108  
12 A 119 31 A" 88  
The calculated vibrational frequencies were scaled by 0.9688

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.