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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3LYP/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3670 -65 A' 3735  
2 A' 3558 -102 A' 3660  
3 A' 3358 -243 A' 3601  
4 A' 1567 -49 A' 1616  
5 A' 1533 -66 A' 1599  
6 A' 434 123 A' 311  
7 A' 233 90 A' 143  
8 A' 205 102 A' 103  
9 A" 3724 -21 A" 3745  
10 A" 805 282 A" 523  
11 A" 179 71 A" 108  
12 A" 163 75 A" 88  
The calculated vibrational frequencies were scaled by 0.9613

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.