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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

mPW1PW91/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3775 40 A' 3735  
2 A' 3702 42 A' 3660  
3 A' 3593 -8 A' 3601  
4 A' 1598 -18 A' 1616  
5 A' 1569 -30 A' 1599  
6 A' 388 77 A' 311  
7 A' 194 51 A' 143  
8 A' 136 33 A' 103  
9 A" 3798 53 A" 3745  
10 A" 645 122 A" 523  
11 A" 162 54 A" 108  
12 A" 60 -28 A" 88  
The calculated vibrational frequencies were scaled by 0.9567

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.