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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3LYP/CEP-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3728 -7 A' 3735  
2 A' 3645 -15 A' 3660  
3 A' 3541 -60 A' 3601  
4 A' 1639 23 A' 1616  
5 A' 1614 15 A' 1599  
6 A' 386 75 A' 311  
7 A' 196 53 A' 143  
8 A' 158 55 A' 103  
9 A" 3760 15 A" 3745  
10 A" 646 123 A" 523  
11 A" 142 34 A" 108  
12 A" 140 52 A" 88  
The calculated vibrational frequencies were scaled by 0.9657

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.