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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

mPW1PW91/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3401 -334 A' 3735  
2 A' 3297 -363 A' 3660  
3 A' 3164 -437 A' 3601  
4 A' 1830 214 A' 1616  
5 A' 1757 158 A' 1599  
6 A' 557 246 A' 311  
7 A' 349 206 A' 143  
8 A' 296 193 A' 103  
9 A" 3495 -250 A" 3745  
10 A" 835 312 A" 523  
11 A" 340 232 A" 108  
12 A" 109 21 A" 88  
The calculated vibrational frequencies were scaled by 0.8789

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.